smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccc3c4ccc5c6c4c(c4c3c2C(=CC4)C(=O)N1c1ccc(Cl)cc1)C=C[C@H]6C(=O)N(c1ccc(Cl)cc1)C5=O ZINC000100053429 1069695540 /nfs/dbraw/zinc/69/55/40/1069695540.db2.gz OSSFEQGQGMWJKV-AREMUKBSSA-N 0 0 613.456 7.724 40 5 KKBBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc32)c1 ZINC000102415368 1069702559 /nfs/dbraw/zinc/70/25/59/1069702559.db2.gz UOBFIXGETIMCRK-UHFFFAOYSA-N 0 0 534.615 5.165 40 5 KKBBRN CCOC(=O)c1c2cc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2oc1-c1ccccc1 ZINC000102628661 1069705363 /nfs/dbraw/zinc/70/53/63/1069705363.db2.gz NCEWDCWCXAPPKO-UHFFFAOYSA-N 0 0 619.051 7.182 40 5 KKBBRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000103798699 1069714180 /nfs/dbraw/zinc/71/41/80/1069714180.db2.gz RNAWHKKQEXAXGI-UHFFFAOYSA-N 0 0 575.691 6.490 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] ZINC000408755256 1069728944 /nfs/dbraw/zinc/72/89/44/1069728944.db2.gz CHQCNDSIDLOJCS-FVUNBJOLSA-N 0 0 714.619 6.066 40 5 KKBBRN O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NC4CCCCC4)c3cc21 ZINC000408719479 1069736344 /nfs/dbraw/zinc/73/63/44/1069736344.db2.gz FDSPFCLPGJDVCQ-UHFFFAOYSA-N 0 0 582.748 8.242 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408772722 1069740054 /nfs/dbraw/zinc/74/00/54/1069740054.db2.gz HMLICOPFPVSHBX-HZHHUVPKSA-N 0 0 589.648 5.945 40 5 KKBBRN Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc1 ZINC000408839075 1069745523 /nfs/dbraw/zinc/74/55/23/1069745523.db2.gz MPIVCKWICJVHKM-XDHOZWIPSA-N 0 0 518.934 6.335 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408846055 1069746191 /nfs/dbraw/zinc/74/61/91/1069746191.db2.gz IIBBALQRUPOESN-HVDVVURSSA-N 0 0 562.691 5.892 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408851374 1069747044 /nfs/dbraw/zinc/74/70/44/1069747044.db2.gz YEQAEBCMCBWDPT-UNDLXJOSSA-N 0 0 613.692 5.073 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933468 1069758253 /nfs/dbraw/zinc/75/82/53/1069758253.db2.gz AXTDVEDXNILQCU-FJNIOPPGSA-N 0 0 643.121 5.290 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409092467 1069776529 /nfs/dbraw/zinc/77/65/29/1069776529.db2.gz YUQLHYUBMZNTKB-JDKSNUEYSA-N 0 0 716.197 5.461 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 ZINC000409132730 1069783863 /nfs/dbraw/zinc/78/38/63/1069783863.db2.gz JUOYUYCUXLJLHK-MHZLTWQESA-N 0 0 518.400 7.263 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409178908 1069796126 /nfs/dbraw/zinc/79/61/26/1069796126.db2.gz KBOONCASVGXZGA-XKZIYDEJSA-N 0 0 534.550 5.083 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757394 1069845159 /nfs/dbraw/zinc/84/51/59/1069845159.db2.gz MWEVPYBRDFJQIE-OIUASMPBSA-N 0 0 808.346 8.093 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000409035757 1069846588 /nfs/dbraw/zinc/84/65/88/1069846588.db2.gz UBFGHBFOAMJLRZ-LCQSEVKBSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408765884 1069868629 /nfs/dbraw/zinc/86/86/29/1069868629.db2.gz RHSKDJMNSQOEED-NXYYLBPMSA-N 0 0 787.601 6.324 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408767907 1069869168 /nfs/dbraw/zinc/86/91/68/1069869168.db2.gz HCYRKIQGNMAATC-UHAPOFRNSA-N 0 0 662.724 5.378 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408770624 1069880135 /nfs/dbraw/zinc/88/01/35/1069880135.db2.gz ZRBFFHZJGSHLOA-NULZLWRNSA-N 0 0 566.038 6.140 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408785336 1069913898 /nfs/dbraw/zinc/91/38/98/1069913898.db2.gz YMORRBWCVMYUHD-AOLPSBPOSA-N 0 0 574.884 6.752 40 5 KKBBRN CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408803469 1069947651 /nfs/dbraw/zinc/94/76/51/1069947651.db2.gz PGRSHVGTKYIOSM-UHFFFAOYSA-N 0 0 520.587 5.653 40 5 KKBBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1Nc1ccccc1 ZINC000408818399 1069976213 /nfs/dbraw/zinc/97/62/13/1069976213.db2.gz VJPQZWCHMQVLQQ-UISCDOJWSA-N 0 0 523.034 7.562 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3\SC(Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000408813843 1069979044 /nfs/dbraw/zinc/97/90/44/1069979044.db2.gz VHRFUXGKUARWJK-JGDARTDMSA-N 0 0 518.615 6.917 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823978 1069989947 /nfs/dbraw/zinc/98/99/47/1069989947.db2.gz HEBAATFSMXHPRP-SUAMDDGLSA-N 0 0 682.980 6.010 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408829579 1070015844 /nfs/dbraw/zinc/01/58/44/1070015844.db2.gz POQAHOVRLINAHD-PLQXQRLBSA-N 0 0 705.023 5.611 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408831473 1070021368 /nfs/dbraw/zinc/02/13/68/1070021368.db2.gz PMKFFXCEDZSUMA-CRCYZHLCSA-N 0 0 638.529 5.901 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408833139 1070023075 /nfs/dbraw/zinc/02/30/75/1070023075.db2.gz VUFPWABCJXJMFV-LCQSEVKBSA-N 0 0 551.649 5.857 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408837075 1070028955 /nfs/dbraw/zinc/02/89/55/1070028955.db2.gz YPLFDCHBTZRQHV-IPAKXIGBSA-N 0 0 678.561 5.365 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] ZINC000408837341 1070029645 /nfs/dbraw/zinc/02/96/45/1070029645.db2.gz CQTJBZBWPAQRSZ-DBHVVYFFSA-N 0 0 680.720 5.211 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408833255 1070030233 /nfs/dbraw/zinc/03/02/33/1070030233.db2.gz SNDBTEGPEAMBDD-LKWZWFHSSA-N 0 0 667.593 5.810 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408837622 1070030356 /nfs/dbraw/zinc/03/03/56/1070030356.db2.gz KBYFCYMKYFJHHE-KYRGTEIWSA-N 0 0 679.629 5.679 40 5 KKBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408839072 1070040306 /nfs/dbraw/zinc/04/03/06/1070040306.db2.gz MMSOAMDPTRSRQZ-CAOOACKPSA-N 0 0 719.334 8.565 40 5 KKBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 ZINC000408842254 1070045688 /nfs/dbraw/zinc/04/56/88/1070045688.db2.gz JQNFOGKDJRBIBC-UHFFFAOYSA-N 0 0 505.939 5.672 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408844891 1070050706 /nfs/dbraw/zinc/05/07/06/1070050706.db2.gz FOPGLRPPDMVFMR-YVBHXKDBSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408865846 1070084384 /nfs/dbraw/zinc/08/43/84/1070084384.db2.gz DYTKOOFHTOMMKZ-QRVIBDJDSA-N 0 0 630.448 6.149 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408882585 1070126791 /nfs/dbraw/zinc/12/67/91/1070126791.db2.gz RJTOGELZNJNMKN-UUYOSTAYSA-N 0 0 634.302 6.944 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917457 1070208080 /nfs/dbraw/zinc/20/80/80/1070208080.db2.gz UVKLWKMQGGDMLO-CVKSISIWSA-N 0 0 622.440 7.168 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408916655 1070221084 /nfs/dbraw/zinc/22/10/84/1070221084.db2.gz FTISSEDOXMXLPQ-DHRITJCHSA-N 0 0 583.460 6.880 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408924347 1070242279 /nfs/dbraw/zinc/24/22/79/1070242279.db2.gz GZRKUAHEWURUCW-UHFFFAOYSA-N 0 0 635.507 5.536 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408927835 1070248467 /nfs/dbraw/zinc/24/84/67/1070248467.db2.gz RZQVSTILGDCDOW-ISZRBDKASA-N 0 0 636.730 5.498 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408928160 1070250250 /nfs/dbraw/zinc/25/02/50/1070250250.db2.gz WMCIGUFETUOQSZ-VSQRRKBNSA-N 0 0 660.155 6.439 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000408933110 1070264807 /nfs/dbraw/zinc/26/48/07/1070264807.db2.gz HOWIAGQYDFHDDT-UUYOSTAYSA-N 0 0 586.395 5.750 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000408933337 1070265444 /nfs/dbraw/zinc/26/54/44/1070265444.db2.gz ASAYTHBSZILFMH-ORVZPOCUSA-N 0 0 668.522 5.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408933922 1070267980 /nfs/dbraw/zinc/26/79/80/1070267980.db2.gz BBJJXRWBESAHRB-TZUCAZQYSA-N 0 0 814.611 6.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939941 1070284296 /nfs/dbraw/zinc/28/42/96/1070284296.db2.gz NQNYZIHBTBVLBP-QUNTYYFUSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944982 1070298446 /nfs/dbraw/zinc/29/84/46/1070298446.db2.gz WEOBEUUPKORKRE-SZYVSPPHSA-N 0 0 727.033 6.489 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408951706 1070320684 /nfs/dbraw/zinc/32/06/84/1070320684.db2.gz UWBSJFRXURYQOQ-SKYXIMHFSA-N 0 0 634.881 5.545 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000408987581 1070350487 /nfs/dbraw/zinc/35/04/87/1070350487.db2.gz QMFOYPBEYKLNFL-UHFFFAOYSA-N 0 0 515.547 6.590 40 5 KKBBRN O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408991149 1070357588 /nfs/dbraw/zinc/35/75/88/1070357588.db2.gz MZTKFZPCWUUGQG-UHFFFAOYSA-N 0 0 506.609 5.972 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408990419 1070356150 /nfs/dbraw/zinc/35/61/50/1070356150.db2.gz VSFVBFOBFJTBOD-VEOKEAFVSA-N 0 0 882.527 6.807 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408988455 1070360603 /nfs/dbraw/zinc/36/06/03/1070360603.db2.gz QXRKSJMBUVTNBK-FWESEHMYSA-N 0 0 642.089 5.766 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408993236 1070368333 /nfs/dbraw/zinc/36/83/33/1070368333.db2.gz VGRQPOYONGSXFO-UHFFFAOYSA-N 0 0 511.566 6.258 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409037610 1070440180 /nfs/dbraw/zinc/44/01/80/1070440180.db2.gz XYTNLIVZPASOHD-OXWVMCNISA-N 0 0 504.611 5.105 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040344 1070442437 /nfs/dbraw/zinc/44/24/37/1070442437.db2.gz YJDTVHWGXBKZHD-OCDQFKQQSA-N 0 0 769.614 5.686 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409053075 1070456564 /nfs/dbraw/zinc/45/65/64/1070456564.db2.gz XBSZUBLZMWFDPW-QRVIBDJDSA-N 0 0 539.407 6.481 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047547 1070459461 /nfs/dbraw/zinc/45/94/61/1070459461.db2.gz USIPLDRUQGTKKC-PGUFECHJSA-N 0 0 756.617 5.543 40 5 KKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409053914 1070474093 /nfs/dbraw/zinc/47/40/93/1070474093.db2.gz DOCKCXDDYGPYAO-UHFFFAOYSA-N 0 0 509.431 5.593 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000409086029 1070512515 /nfs/dbraw/zinc/51/25/15/1070512515.db2.gz YBAWITVGLNIDME-NNAGEYCMSA-N 0 0 592.633 5.051 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409078184 1070513602 /nfs/dbraw/zinc/51/36/02/1070513602.db2.gz GXBXILSCWHXBRY-INJWXVQMSA-N 0 0 682.549 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079771 1070516210 /nfs/dbraw/zinc/51/62/10/1070516210.db2.gz LJYFZHYCUAJHTK-WQNUKSJVSA-N 0 0 682.524 5.196 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409090583 1070525109 /nfs/dbraw/zinc/52/51/09/1070525109.db2.gz RJNHAMBCKFCRRZ-RBRLEXCSSA-N 0 0 608.164 5.046 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409091358 1070526403 /nfs/dbraw/zinc/52/64/03/1070526403.db2.gz PRFYFGWYTFMLSK-MFCBUNOESA-N 0 0 666.575 5.629 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409104532 1070528570 /nfs/dbraw/zinc/52/85/70/1070528570.db2.gz FQMXSQUCYHATOB-VIVYEOTJSA-N 0 0 728.274 7.790 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409099512 1070532656 /nfs/dbraw/zinc/53/26/56/1070532656.db2.gz NVTNTMWOFWIYHH-MHRPSJHKSA-N 0 0 716.197 5.461 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409150705 1070568912 /nfs/dbraw/zinc/56/89/12/1070568912.db2.gz DEMSJPMZWFYNJS-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409151300 1070569381 /nfs/dbraw/zinc/56/93/81/1070569381.db2.gz AJRCESOHNGDKBM-PGGKNCGUSA-N 0 0 642.440 5.349 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409145259 1070573395 /nfs/dbraw/zinc/57/33/95/1070573395.db2.gz NMEFJWKVEYECKO-QYIOYSLNSA-N 0 0 758.676 6.173 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409146098 1070573981 /nfs/dbraw/zinc/57/39/81/1070573981.db2.gz JGYJPINKMQKVAK-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409164352 1070582598 /nfs/dbraw/zinc/58/25/98/1070582598.db2.gz HIVXTWATEJLNQG-QFEZKATASA-N 0 0 660.557 7.685 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409166477 1070584268 /nfs/dbraw/zinc/58/42/68/1070584268.db2.gz DQOONAGKBFONCI-AFUMVMLFSA-N 0 0 631.585 6.878 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172420 1070588471 /nfs/dbraw/zinc/58/84/71/1070588471.db2.gz HRRNZXDOJGLYNB-GEYGMGCISA-N 0 0 649.725 5.756 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1 ZINC000409174589 1070589965 /nfs/dbraw/zinc/58/99/65/1070589965.db2.gz VEVXFZKLNIOGPJ-VFCFBJKWSA-N 0 0 543.601 5.974 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409176265 1070590970 /nfs/dbraw/zinc/59/09/70/1070590970.db2.gz ZMYDMORYLQSFGJ-UFFVCSGVSA-N 0 0 554.924 5.624 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409179367 1070595264 /nfs/dbraw/zinc/59/52/64/1070595264.db2.gz QRRUQWBZRIURME-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409188001 1070596896 /nfs/dbraw/zinc/59/68/96/1070596896.db2.gz FAQQSEMCUCVPDX-HDGMWEBWSA-N 0 0 504.882 5.220 40 5 KKBBRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409182737 1070600844 /nfs/dbraw/zinc/60/08/44/1070600844.db2.gz NJGIZVFKCZAIOZ-UHFFFAOYSA-N 0 0 659.356 7.553 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409190225 1070606829 /nfs/dbraw/zinc/60/68/29/1070606829.db2.gz QBWGCWLUDUQVAN-ISZRBDKASA-N 0 0 774.325 6.112 40 5 KKBBRN Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000409191800 1070609141 /nfs/dbraw/zinc/60/91/41/1070609141.db2.gz NOZSJUUPBOZVAA-ANXWUVDLSA-N 0 0 612.230 6.392 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409193746 1070612046 /nfs/dbraw/zinc/61/20/46/1070612046.db2.gz LXSPUTQEOOXPMA-IWWQDUJXSA-N 0 0 632.648 6.737 40 5 KKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000409196349 1070616530 /nfs/dbraw/zinc/61/65/30/1070616530.db2.gz UBDHYYALUQHZOA-YCNYHXFESA-N 0 0 526.017 7.390 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409219581 1070642429 /nfs/dbraw/zinc/64/24/29/1070642429.db2.gz OHGLWDUMRLPMLQ-KEBDBYFISA-N 0 0 515.906 5.631 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409227372 1070644883 /nfs/dbraw/zinc/64/48/83/1070644883.db2.gz YCWVQZWIFJWWID-FOKLQQMPSA-N 0 0 711.893 6.645 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409250108 1070667017 /nfs/dbraw/zinc/66/70/17/1070667017.db2.gz PQCXMYLKRAFACG-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1Cl ZINC000409254928 1070673331 /nfs/dbraw/zinc/67/33/31/1070673331.db2.gz JUYGNSHGHUDIGU-YSURURNPSA-N 0 0 662.902 6.282 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409256836 1070676248 /nfs/dbraw/zinc/67/62/48/1070676248.db2.gz NSMQSPVPVHKTPQ-BHGWPJFGSA-N 0 0 713.333 7.403 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409260759 1070696385 /nfs/dbraw/zinc/69/63/85/1070696385.db2.gz VVIWHIOPFGSDSK-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409273032 1070711599 /nfs/dbraw/zinc/71/15/99/1070711599.db2.gz PEIRDUOTAJWJJU-ZMOGYAJESA-N 0 0 549.517 5.010 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409269445 1070703862 /nfs/dbraw/zinc/70/38/62/1070703862.db2.gz BQWNXYCCZNBYRW-FSJBWODESA-N 0 0 505.552 5.763 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409272980 1070711670 /nfs/dbraw/zinc/71/16/70/1070711670.db2.gz OUEZJIIJBXHBCU-FOKLQQMPSA-N 0 0 555.515 5.136 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270512 1070706255 /nfs/dbraw/zinc/70/62/55/1070706255.db2.gz QGPGOTRAPPQONZ-QRVIBDJDSA-N 0 0 519.491 5.001 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1Cl ZINC000409270607 1070706320 /nfs/dbraw/zinc/70/63/20/1070706320.db2.gz HRBVGXUIGUZTCY-ZVHZXABRSA-N 0 0 502.979 6.330 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)cc1F ZINC000409273378 1070712606 /nfs/dbraw/zinc/71/26/06/1070712606.db2.gz QHWVQTOCDUWRDL-DJKKODMXSA-N 0 0 519.869 5.461 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409273301 1070712691 /nfs/dbraw/zinc/71/26/91/1070712691.db2.gz JSQSKDXLIBYMSY-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409274348 1070715035 /nfs/dbraw/zinc/71/50/35/1070715035.db2.gz WFXSVWKKXHCVOE-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(I)cc1 ZINC000409327752 1070828663 /nfs/dbraw/zinc/82/86/63/1070828663.db2.gz MJSNMYIMQAFMAR-YBFXNURJSA-N 0 0 575.340 5.134 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409344934 1070854176 /nfs/dbraw/zinc/85/41/76/1070854176.db2.gz IDMMQPSCQBVABW-FOKLQQMPSA-N 0 0 677.327 6.382 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3ccc4ccccc4c3OC(=O)[C@@H]12 ZINC000409337218 1070858709 /nfs/dbraw/zinc/85/87/09/1070858709.db2.gz YSUFMSKLONSPPO-WTEOMTDASA-N 0 0 594.963 5.652 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409364719 1070882047 /nfs/dbraw/zinc/88/20/47/1070882047.db2.gz YIPSCNVREYMJCB-FQEVSTJZSA-N 0 0 531.038 5.108 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409366111 1070883261 /nfs/dbraw/zinc/88/32/61/1070883261.db2.gz ZIXYRRITZHZNIA-KAEGSSFASA-N 0 0 692.588 5.755 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409402561 1070918324 /nfs/dbraw/zinc/91/83/24/1070918324.db2.gz WSOOWERXMRIAIT-ZDLGFXPLSA-N 0 0 679.274 5.570 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408907512 1070989675 /nfs/dbraw/zinc/98/96/75/1070989675.db2.gz PTZIMVDMEYUUBP-KGVSQERTSA-N 0 0 525.892 5.720 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408924973 1071080172 /nfs/dbraw/zinc/08/01/72/1071080172.db2.gz RYYSUSDLPNIEJY-MFCBUNOESA-N 0 0 605.694 5.086 40 5 KKBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 ZINC000408925107 1071079708 /nfs/dbraw/zinc/07/97/08/1071079708.db2.gz JNWIFBXEUYOVHZ-ZXVVBBHZSA-N 0 0 513.575 5.883 40 5 KKBBRN Cc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408919759 1071116208 /nfs/dbraw/zinc/11/62/08/1071116208.db2.gz CANBUZJXEGRXPW-HRISCLKESA-N 0 0 653.764 6.402 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2(Br)c2ccccc21 ZINC000408919448 1071120773 /nfs/dbraw/zinc/12/07/73/1071120773.db2.gz YBNCHQXIWLSUFG-CAZKKTPXSA-N 0 0 509.743 5.151 40 5 KKBBRN Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1 ZINC000408918643 1071130801 /nfs/dbraw/zinc/13/08/01/1071130801.db2.gz NDUAUQRGECRUMW-WSDLNYQXSA-N 0 0 529.401 7.026 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1C ZINC000408929767 1071167434 /nfs/dbraw/zinc/16/74/34/1071167434.db2.gz NVNNGZHHBWQRRM-VULFUBBASA-N 0 0 540.601 5.890 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408927663 1071192333 /nfs/dbraw/zinc/19/23/33/1071192333.db2.gz YUJIOOBZEOLQPU-LFVJCYFKSA-N 0 0 601.990 7.247 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214946812 1071205398 /nfs/dbraw/zinc/20/53/98/1071205398.db2.gz YCEIOMYLKWLIFQ-OGLMXYFKSA-N 0 0 540.597 6.962 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000408933336 1071244444 /nfs/dbraw/zinc/24/44/44/1071244444.db2.gz ASAYTHBSZILFMH-IYVASWNSSA-N 0 0 668.522 5.135 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408933127 1071245054 /nfs/dbraw/zinc/24/50/54/1071245054.db2.gz HTLYJQSMUYXMBE-MGQZUQOPSA-N 0 0 694.560 5.065 40 5 KKBBRN O=C1N/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408932509 1071250779 /nfs/dbraw/zinc/25/07/79/1071250779.db2.gz CROAVCRWZNQMBD-NHDPSOOVSA-N 0 0 532.767 6.227 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933047 1071247526 /nfs/dbraw/zinc/24/75/26/1071247526.db2.gz GZPXKQLZIIRINH-FVMAXLJRSA-N 0 0 669.634 5.535 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932179 1071253106 /nfs/dbraw/zinc/25/31/06/1071253106.db2.gz BLRTUMYXDMIRRY-WQVUUJHJSA-N 0 0 724.586 5.074 40 5 KKBBRN O=C1N/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408932132 1071254800 /nfs/dbraw/zinc/25/48/00/1071254800.db2.gz ULZFTPMRMFHVAV-MYYYXRDXSA-N 0 0 513.937 6.073 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408943479 1071259967 /nfs/dbraw/zinc/25/99/67/1071259967.db2.gz HOXYGJVQVJHAJK-YWEMJKAQSA-N 0 0 676.751 5.768 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccc([N+](=O)[O-])cc5)cc4Br)c(=O)n32)cc1OCC ZINC000408943804 1071290322 /nfs/dbraw/zinc/29/03/22/1071290322.db2.gz MEKACQSSTFJRAO-IMLSNNMKSA-N 0 0 724.586 5.074 40 5 KKBBRN O=C(c1cccs1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103519773 1071307983 /nfs/dbraw/zinc/30/79/83/1071307983.db2.gz QLVSTNCGMUSMBH-QSNJERLUSA-N 0 0 547.592 5.638 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC ZINC000408941437 1071308305 /nfs/dbraw/zinc/30/83/05/1071308305.db2.gz VUMJDQJPYJEECS-GQFLCQBOSA-N 0 0 802.556 5.037 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408938820 1071328046 /nfs/dbraw/zinc/32/80/46/1071328046.db2.gz SIPBTRKFANHFHF-FVMAXLJRSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408938152 1071335311 /nfs/dbraw/zinc/33/53/11/1071335311.db2.gz HGAOSYDDINILEU-ILLSWNIOSA-N 0 0 729.005 5.719 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408937576 1071338341 /nfs/dbraw/zinc/33/83/41/1071338341.db2.gz GWXXPMBHRHXQEK-ORVZPOCUSA-N 0 0 668.522 5.135 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408937495 1071339873 /nfs/dbraw/zinc/33/98/73/1071339873.db2.gz QUHVSILUJIAZNH-FVMAXLJRSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937396 1071341837 /nfs/dbraw/zinc/34/18/37/1071341837.db2.gz JCLVENWGPLVQDM-UAMLYEQYSA-N 0 0 722.614 5.844 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685940 1071354051 /nfs/dbraw/zinc/35/40/51/1071354051.db2.gz QLKOQEHXWMVXML-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408685932 1071354120 /nfs/dbraw/zinc/35/41/20/1071354120.db2.gz QKKOOMBRCHTBHW-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685125 1071357424 /nfs/dbraw/zinc/35/74/24/1071357424.db2.gz OTLJOHPJFRVFHR-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684502 1071360572 /nfs/dbraw/zinc/36/05/72/1071360572.db2.gz NPTFGWYOSSDENM-QYVZARNFSA-N 0 0 547.542 5.184 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)cc1[N+](=O)[O-] ZINC000408685552 1071356067 /nfs/dbraw/zinc/35/60/67/1071356067.db2.gz QZWUTZPLJDDACV-NPYONTDKSA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Br)cc1 ZINC000408683958 1071362965 /nfs/dbraw/zinc/36/29/65/1071362965.db2.gz MOGBONYKBYFKDR-AGTZKDDFSA-N 0 0 636.458 5.490 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683278 1071366662 /nfs/dbraw/zinc/36/66/62/1071366662.db2.gz LBAWOICDPAIINS-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1 ZINC000408682533 1071369047 /nfs/dbraw/zinc/36/90/47/1071369047.db2.gz JNVHUNFGJXPBIK-UHFFFAOYSA-N 0 0 601.613 6.398 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408956804 1071375810 /nfs/dbraw/zinc/37/58/10/1071375810.db2.gz ZQSVAOAAVXSQCR-UONGPDOGSA-N 0 0 729.005 5.719 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408956112 1071380674 /nfs/dbraw/zinc/38/06/74/1071380674.db2.gz YRILWAZJMKQEGY-GRXWAMFVSA-N 0 0 684.952 5.320 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Br)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408954451 1071391444 /nfs/dbraw/zinc/39/14/44/1071391444.db2.gz WXUSOOTVSDIPRU-ILLSWNIOSA-N 0 0 773.456 5.828 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408689707 1071410957 /nfs/dbraw/zinc/41/09/57/1071410957.db2.gz YWVNADFVHPUUPW-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690105 1071406578 /nfs/dbraw/zinc/40/65/78/1071406578.db2.gz ZRKZAZMNMHJYGI-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408688411 1071421280 /nfs/dbraw/zinc/42/12/80/1071421280.db2.gz WGMVITJQNAYPNM-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408687816 1071426622 /nfs/dbraw/zinc/42/66/22/1071426622.db2.gz VECRIMHLIFUPCZ-UHFFFAOYSA-N 0 0 504.713 5.409 40 5 KKBBRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1c2ccccc2cc2ccccc21 ZINC000408972852 1071449200 /nfs/dbraw/zinc/44/92/00/1071449200.db2.gz WFKYVBVQNUQUKK-NDENLUEZSA-N 0 0 508.813 8.512 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408974711 1071478757 /nfs/dbraw/zinc/47/87/57/1071478757.db2.gz CFJCCNLQPULENB-RISWYLRJSA-N 0 0 594.045 5.019 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408710460 1071508353 /nfs/dbraw/zinc/50/83/53/1071508353.db2.gz INWKKTJWMBVQSA-UHFFFAOYSA-N 0 0 514.350 5.925 40 5 KKBBRN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000408718103 1071510227 /nfs/dbraw/zinc/51/02/27/1071510227.db2.gz JMWRKENNIJNZBH-KGIZCEIGSA-N 0 0 579.308 5.499 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408984178 1071510826 /nfs/dbraw/zinc/51/08/26/1071510826.db2.gz MARZOXCKIXHDJM-MKOZVTOYSA-N 0 0 690.959 6.520 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408720377 1071511815 /nfs/dbraw/zinc/51/18/15/1071511815.db2.gz MIYKCTCLBDPUMK-QYRZKEDASA-N 0 0 541.003 6.354 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408725411 1071520416 /nfs/dbraw/zinc/52/04/16/1071520416.db2.gz HWVUKIYWWRETSD-MJASDKGPSA-N 0 0 665.724 5.456 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NC(c1ccccc1)c1ccccc1 ZINC000408980874 1071537825 /nfs/dbraw/zinc/53/78/25/1071537825.db2.gz GFUMSRXQITZIST-UHFFFAOYSA-N 0 0 580.647 6.003 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408980243 1071540561 /nfs/dbraw/zinc/54/05/61/1071540561.db2.gz FERKITZMUMSXKK-QDNAUZDWSA-N 0 0 674.982 6.104 40 5 KKBBRN O=C(Oc1ccccc1Br)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4Br)c3cc21 ZINC000408720808 1071541621 /nfs/dbraw/zinc/54/16/21/1071541621.db2.gz ZUJJAHIIWZYKNW-UHFFFAOYSA-N 0 0 730.412 10.080 40 5 KKBBRN CCCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCCC)c3cc21 ZINC000408720315 1071545503 /nfs/dbraw/zinc/54/55/03/1071545503.db2.gz LANKXBZHTPYEAZ-UHFFFAOYSA-N 0 0 558.726 7.957 40 5 KKBBRN Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4C)c3cc21 ZINC000408719861 1071546604 /nfs/dbraw/zinc/54/66/04/1071546604.db2.gz GSWYECSRKLXJEI-UHFFFAOYSA-N 0 0 598.706 9.238 40 5 KKBBRN O=C(Oc1ccccc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4)c3cc21 ZINC000408720491 1071544119 /nfs/dbraw/zinc/54/41/19/1071544119.db2.gz RHBNCVOOYASXEO-UHFFFAOYSA-N 0 0 572.620 8.555 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733716 1071550249 /nfs/dbraw/zinc/55/02/49/1071550249.db2.gz OXTLMVMDAUHDQD-HQOQCIRISA-N 0 0 769.059 7.904 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733555 1071551120 /nfs/dbraw/zinc/55/11/20/1071551120.db2.gz JSMKFNNXSZFSIW-VPHSIRQSSA-N 0 0 640.630 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733577 1071551271 /nfs/dbraw/zinc/55/12/71/1071551271.db2.gz KTLLSDZGRLGNIK-YVBHXKDBSA-N 0 0 630.078 5.782 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408995576 1071551593 /nfs/dbraw/zinc/55/15/93/1071551593.db2.gz BEOSFACOBMPZLM-VCLSCOGJSA-N 0 0 799.656 7.439 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733596 1071551756 /nfs/dbraw/zinc/55/17/56/1071551756.db2.gz LLDBRAADPLMCNZ-VPHSIRQSSA-N 0 0 640.630 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408995424 1071552121 /nfs/dbraw/zinc/55/21/21/1071552121.db2.gz CORFMBLGGCQDHV-CBYYHRJHSA-N 0 0 608.470 5.037 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408737243 1071553047 /nfs/dbraw/zinc/55/30/47/1071553047.db2.gz MRNRFPWFFWJSOT-MHZLTWQESA-N 0 0 538.560 5.310 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000408736790 1071555140 /nfs/dbraw/zinc/55/51/40/1071555140.db2.gz IAIQDFVUBDFHKY-SANMLTNESA-N 0 0 558.432 5.855 40 5 KKBBRN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000408736593 1071555746 /nfs/dbraw/zinc/55/57/46/1071555746.db2.gz DGZRROJXOPRDQP-RUZDIDTESA-N 0 0 514.607 5.630 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000408736502 1071556093 /nfs/dbraw/zinc/55/60/93/1071556093.db2.gz CADPWVDYVCQBAU-MHZLTWQESA-N 0 0 562.651 6.216 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994552 1071557380 /nfs/dbraw/zinc/55/73/80/1071557380.db2.gz HZEAYMDIGVKFLM-HNVAQCFTSA-N 0 0 724.773 6.275 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Br)c1 ZINC000408994243 1071558874 /nfs/dbraw/zinc/55/88/74/1071558874.db2.gz YLBVIKNTLLSZNE-NIQJEMAJSA-N 0 0 683.587 5.823 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735755 1071559711 /nfs/dbraw/zinc/55/97/11/1071559711.db2.gz WWRPDUGHKZDVND-KFOJKGMOSA-N 0 0 673.744 5.092 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735595 1071560043 /nfs/dbraw/zinc/56/00/43/1071560043.db2.gz UWBVRZTYFWTHGV-SJXDCSIJSA-N 0 0 631.707 5.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735289 1071561945 /nfs/dbraw/zinc/56/19/45/1071561945.db2.gz PTNIPOBAFANOME-KFOJKGMOSA-N 0 0 673.744 5.092 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734434 1071565854 /nfs/dbraw/zinc/56/58/54/1071565854.db2.gz YDJPPOSFFGGKOG-AWPXEQHHSA-N 0 0 731.139 6.116 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1C ZINC000408993393 1071566050 /nfs/dbraw/zinc/56/60/50/1071566050.db2.gz DNSFRYZMRYYZGX-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408993213 1071566475 /nfs/dbraw/zinc/56/64/75/1071566475.db2.gz VDSPDIMETABFEB-ZPVURNRZSA-N 0 0 651.751 6.136 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408992316 1071574138 /nfs/dbraw/zinc/57/41/38/1071574138.db2.gz AACSXLHISYTNJH-FUAQWRKOSA-N 0 0 673.747 6.186 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408992317 1071574230 /nfs/dbraw/zinc/57/42/30/1071574230.db2.gz AACSXLHISYTNJH-SWBDNCPRSA-N 0 0 673.747 6.186 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408732968 1071576358 /nfs/dbraw/zinc/57/63/58/1071576358.db2.gz BZDGPOXCBWEABA-UTWPHBJQSA-N 0 0 811.392 5.493 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732986 1071576365 /nfs/dbraw/zinc/57/63/65/1071576365.db2.gz CEHITUCRYWHKLN-SZYVSPPHSA-N 0 0 675.075 6.097 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732837 1071576723 /nfs/dbraw/zinc/57/67/23/1071576723.db2.gz UCDOJZRWGZVKHK-QVPVGFNESA-N 0 0 654.528 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732875 1071577314 /nfs/dbraw/zinc/57/73/14/1071577314.db2.gz ABYBHBUBGGVNMR-ZJTZAHLKSA-N 0 0 741.947 6.485 40 5 KKBBRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991734 1071579204 /nfs/dbraw/zinc/57/92/04/1071579204.db2.gz PCHFEJUEHNCIIJ-OALUTQOASA-N 0 0 657.799 7.682 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccccc1 ZINC000408732056 1071579627 /nfs/dbraw/zinc/57/96/27/1071579627.db2.gz ORUVRULLMUKRTM-HXVUFMGFSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408991375 1071581623 /nfs/dbraw/zinc/58/16/23/1071581623.db2.gz ZZKWAEQTFHTFPA-PEPUGYCWSA-N 0 0 852.501 6.799 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccc(C)cc6)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408990746 1071586419 /nfs/dbraw/zinc/58/64/19/1071586419.db2.gz LQRXSSOULULFPG-UHFFFAOYSA-N 0 0 599.719 7.911 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408731352 1071582190 /nfs/dbraw/zinc/58/21/90/1071582190.db2.gz JYKCRWPKMWXGRK-YIBJGCDOSA-N 0 0 544.947 5.087 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408731186 1071583101 /nfs/dbraw/zinc/58/31/01/1071583101.db2.gz LASFUMOEHGOUTR-NVZOQZRCSA-N 0 0 721.788 5.991 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731260 1071583606 /nfs/dbraw/zinc/58/36/06/1071583606.db2.gz ZRBHQGPDNKXJPE-PRLWALMFSA-N 0 0 626.603 5.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730925 1071584531 /nfs/dbraw/zinc/58/45/31/1071584531.db2.gz WFQKIYOIIFSDMR-DKOMQPSQSA-N 0 0 703.365 5.500 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408731120 1071584642 /nfs/dbraw/zinc/58/46/42/1071584642.db2.gz JBABRQLRHGCBIV-MTBQCCFUSA-N 0 0 574.545 5.307 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000408729283 1071592516 /nfs/dbraw/zinc/59/25/16/1071592516.db2.gz AUQOFQBWYHQPJG-AOLGVVFKSA-N 0 0 546.535 5.278 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729999 1071588829 /nfs/dbraw/zinc/58/88/29/1071588829.db2.gz MPFXIGUMUWPURN-IMUCPKNRSA-N 0 0 621.671 5.546 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408990440 1071588770 /nfs/dbraw/zinc/58/87/70/1071588770.db2.gz VXNNCDUEORAQCO-NZRLAXAZSA-N 0 0 725.404 7.173 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729945 1071589815 /nfs/dbraw/zinc/58/98/15/1071589815.db2.gz LKYVXXJLEANYSO-FVUNBJOLSA-N 0 0 651.697 5.554 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408990076 1071592993 /nfs/dbraw/zinc/59/29/93/1071592993.db2.gz VELOZRXTXVEUNV-MXLMUYMQSA-N 0 0 856.920 7.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408729314 1071593046 /nfs/dbraw/zinc/59/30/46/1071593046.db2.gz DODDOKXLUNUYOP-PNQAETMRSA-N 0 0 730.593 6.317 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728952 1071594423 /nfs/dbraw/zinc/59/44/23/1071594423.db2.gz BEBFHKWPYIBAIT-PRLWALMFSA-N 0 0 660.502 5.989 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728280 1071597156 /nfs/dbraw/zinc/59/71/56/1071597156.db2.gz JHUVQIZXVTXHQM-LMHXZZLNSA-N 0 0 633.090 5.767 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728162 1071597466 /nfs/dbraw/zinc/59/74/66/1071597466.db2.gz IIOWTQLSFZRMEL-CSKPTYFESA-N 0 0 588.639 5.658 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727731 1071599447 /nfs/dbraw/zinc/59/94/47/1071599447.db2.gz WHOZWUHNQOFPJY-DTDQMKFYSA-N 0 0 635.698 5.447 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(Cl)c(Br)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408988885 1071600983 /nfs/dbraw/zinc/60/09/83/1071600983.db2.gz SNFNLHLSDPDIST-RLFCKUQXSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408988809 1071603109 /nfs/dbraw/zinc/60/31/09/1071603109.db2.gz SIVJABQPOKUFAK-MXLMUYMQSA-N 0 0 903.920 7.285 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408988811 1071603149 /nfs/dbraw/zinc/60/31/49/1071603149.db2.gz SIVJABQPOKUFAK-QYIOYSLNSA-N 0 0 903.920 7.285 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996195 1071619022 /nfs/dbraw/zinc/61/90/22/1071619022.db2.gz LKDCMQWSBYWTMW-UBXIJNLVSA-N 0 0 732.840 6.159 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757244 1071633696 /nfs/dbraw/zinc/63/36/96/1071633696.db2.gz WXSAZUNWNPOIJF-IMUCPKNRSA-N 0 0 823.450 7.015 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408756811 1071636583 /nfs/dbraw/zinc/63/65/83/1071636583.db2.gz JWNRNZJRUWNTPK-AMQCUNCASA-N 0 0 662.680 5.945 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000409003297 1071637137 /nfs/dbraw/zinc/63/71/37/1071637137.db2.gz ZHRVYJVPLZXIIJ-UHFFFAOYSA-N 0 0 587.474 7.518 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(O)cc2)C4=O)ccc1Br ZINC000408755945 1071642198 /nfs/dbraw/zinc/64/21/98/1071642198.db2.gz GKMYTUXYLNHRNH-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O ZINC000408755771 1071643221 /nfs/dbraw/zinc/64/32/21/1071643221.db2.gz FLCULVJBVMFUBP-UHFFFAOYSA-N 0 0 504.296 5.760 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000408755090 1071646015 /nfs/dbraw/zinc/64/60/15/1071646015.db2.gz BMLCPCGOHSNHJB-JLKMOJGBSA-N 0 0 561.619 5.496 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409000846 1071648169 /nfs/dbraw/zinc/64/81/69/1071648169.db2.gz NJFJZDUSQXHVRI-HRIDGTDGSA-N 0 0 553.083 6.067 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409000909 1071648178 /nfs/dbraw/zinc/64/81/78/1071648178.db2.gz YZOBNJDZMFDGRZ-DAIZXWHWSA-N 0 0 663.777 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000614 1071649443 /nfs/dbraw/zinc/64/94/43/1071649443.db2.gz UGYCAYZQZGXPQR-JBVGNYNVSA-N 0 0 677.735 5.440 40 5 KKBBRN Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408754906 1071649487 /nfs/dbraw/zinc/64/94/87/1071649487.db2.gz ALPZQBWULJQVAA-UHFFFAOYSA-N 0 0 502.324 6.363 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754739 1071650481 /nfs/dbraw/zinc/65/04/81/1071650481.db2.gz HTGUPTWTNPOSSE-IMUCPKNRSA-N 0 0 602.628 5.927 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408754371 1071651648 /nfs/dbraw/zinc/65/16/48/1071651648.db2.gz JYTHOQAORQBFJF-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408753497 1071656897 /nfs/dbraw/zinc/65/68/97/1071656897.db2.gz JFGZZUGZPHRDIN-QZVQSRICSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408999402 1071655311 /nfs/dbraw/zinc/65/53/11/1071655311.db2.gz KURHJCCVSUPQJQ-MFCBUNOESA-N 0 0 713.404 5.811 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408753015 1071662041 /nfs/dbraw/zinc/66/20/41/1071662041.db2.gz GXAZZHXPDJMGSY-LXLSUMTHSA-N 0 0 788.882 7.986 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409016651 1071666734 /nfs/dbraw/zinc/66/67/34/1071666734.db2.gz VFMBZZIZMHVXJO-WSDLNYQXSA-N 0 0 525.920 5.458 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 ZINC000408750346 1071677187 /nfs/dbraw/zinc/67/71/87/1071677187.db2.gz LRWOOAJYMPDEIT-UHFFFAOYSA-N 0 0 605.289 6.822 40 5 KKBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409013060 1071680885 /nfs/dbraw/zinc/68/08/85/1071680885.db2.gz JXWIMPUSIRSKSK-NSQMGQQPSA-N 0 0 622.743 5.529 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409013950 1071677737 /nfs/dbraw/zinc/67/77/37/1071677737.db2.gz OAPDVRQPXZMMKP-SSDVNMTOSA-N 0 0 570.371 5.567 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(Cl)cc1 ZINC000408750401 1071677795 /nfs/dbraw/zinc/67/77/95/1071677795.db2.gz MJYWVDLEGBLJLI-UHFFFAOYSA-N 0 0 509.952 5.634 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409012383 1071684058 /nfs/dbraw/zinc/68/40/58/1071684058.db2.gz JRPQWMLBZYLIET-SRZZPIQSSA-N 0 0 605.214 5.931 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409010997 1071689845 /nfs/dbraw/zinc/68/98/45/1071689845.db2.gz FDMHSARUNJFDDO-VPNURPJOSA-N 0 0 579.425 5.323 40 5 KKBBRN Cc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408748624 1071691420 /nfs/dbraw/zinc/69/14/20/1071691420.db2.gz BEUPRZVPQJOWJL-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409027122 1071704334 /nfs/dbraw/zinc/70/43/34/1071704334.db2.gz ADMYVZGKTXETHB-UHFFFAOYSA-N 0 0 545.661 5.897 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758143 1071706496 /nfs/dbraw/zinc/70/64/96/1071706496.db2.gz VWOBEEBUDWTEBU-VPHSIRQSSA-N 0 0 644.934 6.903 40 5 KKBBRN CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408758234 1071706866 /nfs/dbraw/zinc/70/68/66/1071706866.db2.gz XDFXTAOYCGPFKZ-UHFFFAOYSA-N 0 0 531.366 6.121 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 ZINC000408758251 1071707363 /nfs/dbraw/zinc/70/73/63/1071707363.db2.gz XIXRUCMNBRCHAH-SJXDCSIJSA-N 0 0 640.515 6.258 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409020841 1071724758 /nfs/dbraw/zinc/72/47/58/1071724758.db2.gz UPGXWZZWEBQSMZ-CIAFOILYSA-N 0 0 538.354 5.432 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408764945 1071725971 /nfs/dbraw/zinc/72/59/71/1071725971.db2.gz APCUKDXDYJCMPK-UAMLYEQYSA-N 0 0 596.064 6.149 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409017319 1071736000 /nfs/dbraw/zinc/73/60/00/1071736000.db2.gz YVFFUOIPRWKIBW-YDZHTSKRSA-N 0 0 609.433 5.175 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000409017662 1071735250 /nfs/dbraw/zinc/73/52/50/1071735250.db2.gz NYEAVIBIYIIYJL-WSDLNYQXSA-N 0 0 555.374 5.320 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767288 1071740808 /nfs/dbraw/zinc/74/08/08/1071740808.db2.gz FNRSQYZDONAFJD-DKOMQPSQSA-N 0 0 766.433 5.714 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408776756 1071747924 /nfs/dbraw/zinc/74/79/24/1071747924.db2.gz RBFTVZMNFIQUMV-FUZBLHKMSA-N 0 0 689.790 6.555 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408776062 1071751847 /nfs/dbraw/zinc/75/18/47/1071751847.db2.gz MVGXMSOBLCFWAL-PRLWALMFSA-N 0 0 680.602 5.770 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035827 1071749247 /nfs/dbraw/zinc/74/92/47/1071749247.db2.gz UGHPKFZMGAMZSS-FJNIOPPGSA-N 0 0 631.707 5.379 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408776274 1071750013 /nfs/dbraw/zinc/75/00/13/1071750013.db2.gz YAXAIHBBQFIWJW-KEPJHFNWSA-N 0 0 584.028 6.279 40 5 KKBBRN COc1cccc2c(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c21 ZINC000408776365 1071750415 /nfs/dbraw/zinc/75/04/15/1071750415.db2.gz ZLZKPGPUQHTYJD-HOQWGYMXSA-N 0 0 610.695 6.384 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409034985 1071754843 /nfs/dbraw/zinc/75/48/43/1071754843.db2.gz RPTXFBIPUYFYHS-LCQSEVKBSA-N 0 0 666.550 5.826 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034836 1071755473 /nfs/dbraw/zinc/75/54/73/1071755473.db2.gz OHVSNOWSOATKGT-BXMULHQWSA-N 0 0 801.510 6.606 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)sc2=N1 ZINC000409034822 1071755479 /nfs/dbraw/zinc/75/54/79/1071755479.db2.gz IJDUSDMKSPEQAU-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000409034701 1071757479 /nfs/dbraw/zinc/75/74/79/1071757479.db2.gz QTIMARDMJZSRLJ-QARYAGPDSA-N 0 0 695.504 5.178 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408774165 1071763562 /nfs/dbraw/zinc/76/35/62/1071763562.db2.gz BPGXMUHAWJTTAA-SUAMDDGLSA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409033346 1071772031 /nfs/dbraw/zinc/77/20/31/1071772031.db2.gz DZYUJLNKBQYMOR-HUPDIZOPSA-N 0 0 807.284 6.716 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409033331 1071772039 /nfs/dbraw/zinc/77/20/39/1071772039.db2.gz DZYUJLNKBQYMOR-CUKMAXQCSA-N 0 0 807.284 6.716 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408772727 1071772961 /nfs/dbraw/zinc/77/29/61/1071772961.db2.gz HMLICOPFPVSHBX-ISZRBDKASA-N 0 0 589.648 5.945 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S2)cc1 ZINC000408772187 1071775051 /nfs/dbraw/zinc/77/50/51/1071775051.db2.gz CBYDNAMMYWZNLU-FNUHDPNESA-N 0 0 500.374 5.779 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032189 1071781111 /nfs/dbraw/zinc/78/11/11/1071781111.db2.gz LJWOSUYBEGGWJI-LMWPEEHHSA-N 0 0 801.068 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408771147 1071781630 /nfs/dbraw/zinc/78/16/30/1071781630.db2.gz FOXFWWTZHUXTEG-PRLWALMFSA-N 0 0 757.628 5.621 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408771214 1071782271 /nfs/dbraw/zinc/78/22/71/1071782271.db2.gz GBILSXXEJNHQOD-MIUGUJGPSA-N 0 0 584.028 6.279 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408771092 1071783241 /nfs/dbraw/zinc/78/32/41/1071783241.db2.gz DDMDGLMHKSIXSL-MRWVFDTMSA-N 0 0 591.645 5.504 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031867 1071786015 /nfs/dbraw/zinc/78/60/15/1071786015.db2.gz BSOUROQYKZMKQQ-PGUFECHJSA-N 0 0 801.068 5.652 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 ZINC000408770350 1071785951 /nfs/dbraw/zinc/78/59/51/1071785951.db2.gz WKWWUXRCSWQGGM-PNQAETMRSA-N 0 0 693.694 5.500 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408769911 1071789796 /nfs/dbraw/zinc/78/97/96/1071789796.db2.gz QLPYCKXYKLJTDH-KEPJHFNWSA-N 0 0 644.934 6.903 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)sc2=N1 ZINC000409031131 1071792087 /nfs/dbraw/zinc/79/20/87/1071792087.db2.gz GJZDDCNCGQOROA-ZJTZAHLKSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769061 1071796703 /nfs/dbraw/zinc/79/67/03/1071796703.db2.gz LKJSCQASEHPNPN-HWMKKPCCSA-N 0 0 773.456 5.828 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769489 1071793296 /nfs/dbraw/zinc/79/32/96/1071793296.db2.gz MXNJHHGCTFOZCS-PNQAETMRSA-N 0 0 758.603 5.859 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408768411 1071800186 /nfs/dbraw/zinc/80/01/86/1071800186.db2.gz ISHZUGGBGVNHBN-IVQFASICSA-N 0 0 626.090 6.158 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408768429 1071800721 /nfs/dbraw/zinc/80/07/21/1071800721.db2.gz IYNWPSQSHHJUGB-QQMBNGEASA-N 0 0 790.490 6.895 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030047 1071802124 /nfs/dbraw/zinc/80/21/24/1071802124.db2.gz BXHKYRKGZFAMGP-RIFKOAFWSA-N 0 0 813.667 6.085 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408767824 1071805709 /nfs/dbraw/zinc/80/57/09/1071805709.db2.gz PFSVVTLSTHHQDN-ARPTWMQFSA-N 0 0 746.820 8.108 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408779263 1071831419 /nfs/dbraw/zinc/83/14/19/1071831419.db2.gz SYKJMVSPGARKNS-KMCFWPMWSA-N 0 0 654.144 6.881 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408778136 1071840245 /nfs/dbraw/zinc/84/02/45/1071840245.db2.gz BOZXEBCVKJFNMB-UQDCTOEPSA-N 0 0 551.649 5.857 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043900 1071853660 /nfs/dbraw/zinc/85/36/60/1071853660.db2.gz FTTDCGKUZHWFPX-PGUFECHJSA-N 0 0 939.519 5.445 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408784595 1071862861 /nfs/dbraw/zinc/86/28/61/1071862861.db2.gz VNPFBISWHDEICZ-TVRVIFGSSA-N 0 0 911.556 7.755 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408785196 1071858406 /nfs/dbraw/zinc/85/84/06/1071858406.db2.gz ZPUADJVEULHULN-ARLGEPFESA-N 0 0 570.465 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039920 1071893571 /nfs/dbraw/zinc/89/35/71/1071893571.db2.gz XPZAUDHBCNIAMD-JBDHCHCMSA-N 0 0 638.098 5.416 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039681 1071896370 /nfs/dbraw/zinc/89/63/70/1071896370.db2.gz RVIOOTVVIVEADL-BXMULHQWSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039660 1071896472 /nfs/dbraw/zinc/89/64/72/1071896472.db2.gz RRZDPFKUSGZMIL-PIXWUVMMSA-N 0 0 682.549 5.525 40 5 KKBBRN Cc1cc2c(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c2c(C)c1 ZINC000408788706 1071897705 /nfs/dbraw/zinc/89/77/05/1071897705.db2.gz GCOBSFQMTNPASE-QKKPVXTHSA-N 0 0 608.723 6.992 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409039210 1071900180 /nfs/dbraw/zinc/90/01/80/1071900180.db2.gz WQCHLXLEDAVFIQ-QPJBPQEWSA-N 0 0 652.523 5.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038314 1071908516 /nfs/dbraw/zinc/90/85/16/1071908516.db2.gz FFIBSWNPGTYTBJ-FIXXDFOUSA-N 0 0 752.640 5.852 40 5 KKBBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408804572 1071908721 /nfs/dbraw/zinc/90/87/21/1071908721.db2.gz AWQJFRDISUYMEL-VGLFBBGZSA-N 0 0 528.654 7.228 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409038362 1071909050 /nfs/dbraw/zinc/90/90/50/1071909050.db2.gz VBFLDIPVMMIHAO-KMBIYUNPSA-N 0 0 668.953 5.701 40 5 KKBBRN CCOc1cc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408804684 1071909282 /nfs/dbraw/zinc/90/92/82/1071909282.db2.gz GNEJWODSVWGRSL-UHFFFAOYSA-N 0 0 541.005 5.997 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)N(CC(=O)OC)C2=S)cc1 ZINC000409055770 1071925665 /nfs/dbraw/zinc/92/56/65/1071925665.db2.gz PVCVMSILGFFZMC-YUMHPJSZSA-N 0 0 554.628 5.308 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409055130 1071929001 /nfs/dbraw/zinc/92/90/01/1071929001.db2.gz KAHPMIXFAGTLMP-OYKKKHCWSA-N 0 0 596.061 5.546 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccccc1 ZINC000409054205 1071935702 /nfs/dbraw/zinc/93/57/02/1071935702.db2.gz SNECXCAULNQGTK-HAHDFKILSA-N 0 0 555.406 6.052 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccccc1 ZINC000409054874 1071931564 /nfs/dbraw/zinc/93/15/64/1071931564.db2.gz WCWWPAIXONTZGT-HAHDFKILSA-N 0 0 555.406 6.052 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409052294 1071947746 /nfs/dbraw/zinc/94/77/46/1071947746.db2.gz JFVWWNDYHPEHBT-QRVIBDJDSA-N 0 0 569.433 6.490 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409052772 1071943245 /nfs/dbraw/zinc/94/32/45/1071943245.db2.gz ICHZMQMALCUMDK-XKZIYDEJSA-N 0 0 616.877 5.737 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409051909 1071948747 /nfs/dbraw/zinc/94/87/47/1071948747.db2.gz DAKSOAOFWYYPAJ-UCQKPKSFSA-N 0 0 603.422 6.199 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409051725 1071950857 /nfs/dbraw/zinc/95/08/57/1071950857.db2.gz CFUFOYBCCKNIIC-HAHDFKILSA-N 0 0 632.432 5.902 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409050559 1071957400 /nfs/dbraw/zinc/95/74/00/1071957400.db2.gz WYKSLJBZRRCEFU-NBYCORAFSA-N 0 0 786.866 6.371 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409050004 1071959928 /nfs/dbraw/zinc/95/99/28/1071959928.db2.gz RXYMVIGQMOQZIT-LMSRTUJASA-N 0 0 760.404 5.653 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050773 1071955668 /nfs/dbraw/zinc/95/56/68/1071955668.db2.gz ZOZPVDIGFYGUMQ-SLDXWZKBSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000409048395 1071970560 /nfs/dbraw/zinc/97/05/60/1071970560.db2.gz WJKUBKLXGRIKOH-IVQFASICSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409047669 1071977239 /nfs/dbraw/zinc/97/72/39/1071977239.db2.gz PNXXPLGYIWUWAG-RQZCQDPDSA-N 0 0 600.241 5.298 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409059573 1071980431 /nfs/dbraw/zinc/98/04/31/1071980431.db2.gz QSXFCDUCBVWYMX-UNOMPAQXSA-N 0 0 521.389 5.781 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409064126 1072017941 /nfs/dbraw/zinc/01/79/41/1072017941.db2.gz BTAHWEAUDYCFNX-SSDVNMTOSA-N 0 0 570.371 5.567 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409061569 1072027757 /nfs/dbraw/zinc/02/77/57/1072027757.db2.gz FTURPWWVRMLFOY-QFEZKATASA-N 0 0 561.019 5.399 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409060680 1072032879 /nfs/dbraw/zinc/03/28/79/1072032879.db2.gz SRCSHPBYWVPRMO-UUYOSTAYSA-N 0 0 693.903 5.588 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1Cl ZINC000409059739 1072038752 /nfs/dbraw/zinc/03/87/52/1072038752.db2.gz NWMUYNFSXWSHHY-MTJSOVHGSA-N 0 0 545.798 6.831 40 5 KKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409075930 1072056821 /nfs/dbraw/zinc/05/68/21/1072056821.db2.gz VSRWAIOLCIJCAE-LBFZPMSMSA-N 0 0 600.241 5.297 40 5 KKBBRN O=C1NC(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409072457 1072083514 /nfs/dbraw/zinc/08/35/14/1072083514.db2.gz NOWHMOZLBOYIAI-KEBDBYFISA-N 0 0 607.642 6.450 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409069088 1072106914 /nfs/dbraw/zinc/10/69/14/1072106914.db2.gz UUJCWCARJBQTMB-SRZZPIQSSA-N 0 0 560.763 5.822 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409069170 1072105302 /nfs/dbraw/zinc/10/53/02/1072105302.db2.gz LQHWSFKVINSEDU-MTJSOVHGSA-N 0 0 531.373 6.730 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080747 1072120573 /nfs/dbraw/zinc/12/05/73/1072120573.db2.gz OARNREVCQVJYHU-XSTKMXAKSA-N 0 0 708.587 5.455 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)sc2=N1 ZINC000409080069 1072128820 /nfs/dbraw/zinc/12/88/20/1072128820.db2.gz KYLAHWNPKQXNFG-ODMLWPGLSA-N 0 0 613.736 5.268 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079770 1072132290 /nfs/dbraw/zinc/13/22/90/1072132290.db2.gz LJYFZHYCUAJHTK-GKTKDVHMSA-N 0 0 682.524 5.196 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409078898 1072141629 /nfs/dbraw/zinc/14/16/29/1072141629.db2.gz DVRAASKXWDRAQY-WQNUKSJVSA-N 0 0 682.524 5.196 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1 ZINC000409078494 1072144007 /nfs/dbraw/zinc/14/40/07/1072144007.db2.gz IAOLXVOLZJHEJZ-NDENLUEZSA-N 0 0 579.245 5.924 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409087153 1072158677 /nfs/dbraw/zinc/15/86/77/1072158677.db2.gz GORJVNMRNDLGFZ-JLKMOJGBSA-N 0 0 644.775 5.180 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000409084396 1072190826 /nfs/dbraw/zinc/19/08/26/1072190826.db2.gz BMJWHCYOCSVEMG-PYCBVSLESA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409083882 1072194462 /nfs/dbraw/zinc/19/44/62/1072194462.db2.gz OUJVUGRMGPEPLU-KAEGSSFASA-N 0 0 687.572 5.481 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409082874 1072205783 /nfs/dbraw/zinc/20/57/83/1072205783.db2.gz JWHQDRXLFJQXEL-GVMLUORFSA-N 0 0 637.095 5.419 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccccc1F ZINC000409082190 1072215038 /nfs/dbraw/zinc/21/50/38/1072215038.db2.gz RMVFXRDDBYVEAM-ZTJHJZSNSA-N 0 0 696.551 5.584 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000409095706 1072237571 /nfs/dbraw/zinc/23/75/71/1072237571.db2.gz IHAXNIOJSXAMRC-YDZHTSKRSA-N 0 0 602.452 6.554 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409095833 1072238555 /nfs/dbraw/zinc/23/85/55/1072238555.db2.gz DLSUONLIBDMFLP-MHRPSJHKSA-N 0 0 760.648 5.570 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409094646 1072245421 /nfs/dbraw/zinc/24/54/21/1072245421.db2.gz FHUSMPKTTSJDTF-RAWKODRKSA-N 0 0 648.770 5.847 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000409094475 1072246383 /nfs/dbraw/zinc/24/63/83/1072246383.db2.gz FDQAECRZLDOPEB-OGLMXYFKSA-N 0 0 583.622 6.401 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409093733 1072250756 /nfs/dbraw/zinc/25/07/56/1072250756.db2.gz ATGQZZUTCHJZSS-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409092817 1072258762 /nfs/dbraw/zinc/25/87/62/1072258762.db2.gz ZIAKAONWXSJBON-LBLGWMPZSA-N 0 0 665.753 5.184 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409092439 1072263089 /nfs/dbraw/zinc/26/30/89/1072263089.db2.gz YEXHHZRBSXSTRK-JVWAILMASA-N 0 0 570.627 5.980 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409090470 1072280645 /nfs/dbraw/zinc/28/06/45/1072280645.db2.gz QUJVIRJPECSHAL-LRUGRNCASA-N 0 0 686.171 5.447 40 5 KKBBRN CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089455 1072288971 /nfs/dbraw/zinc/28/89/71/1072288971.db2.gz MLIHVQIORNAASG-UHFFFAOYSA-N 0 0 595.264 5.139 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409102247 1072310082 /nfs/dbraw/zinc/31/00/82/1072310082.db2.gz YASJIRRMHSFMOI-SRZZPIQSSA-N 0 0 572.799 6.086 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409101458 1072314360 /nfs/dbraw/zinc/31/43/60/1072314360.db2.gz XUGMFRUIOHNBIP-DFXMODJXSA-N 0 0 636.730 5.742 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409101096 1072315890 /nfs/dbraw/zinc/31/58/90/1072315890.db2.gz VFEQRMPNMUQWPH-RBXKPUFLSA-N 0 0 671.160 5.391 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409099836 1072323513 /nfs/dbraw/zinc/32/35/13/1072323513.db2.gz UJOIDJGJKBOYHI-XGLKJEJJSA-N 0 0 566.126 6.063 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409100242 1072320548 /nfs/dbraw/zinc/32/05/48/1072320548.db2.gz URJQYPGVUKELGQ-WKIZKNSPSA-N 0 0 679.799 5.340 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409098928 1072328175 /nfs/dbraw/zinc/32/81/75/1072328175.db2.gz RJSSYXWJWADILV-LCQSEVKBSA-N 0 0 605.116 5.542 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409098461 1072332156 /nfs/dbraw/zinc/33/21/56/1072332156.db2.gz OXAIUYMGTTTZFT-INJWXVQMSA-N 0 0 671.559 5.596 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409098002 1072335110 /nfs/dbraw/zinc/33/51/10/1072335110.db2.gz OOGNVIWMBHWIRW-CIAFOILYSA-N 0 0 527.942 5.582 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409097560 1072337443 /nfs/dbraw/zinc/33/74/43/1072337443.db2.gz IYYURIRNKFIJDF-JOHYPREOSA-N 0 0 699.254 6.978 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409106823 1072341212 /nfs/dbraw/zinc/34/12/12/1072341212.db2.gz OQLJHCYYXBMDCP-CVXGXVHTSA-N 0 0 614.749 5.172 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409106619 1072342965 /nfs/dbraw/zinc/34/29/65/1072342965.db2.gz OHLGLJCWSQSGHV-DFXMODJXSA-N 0 0 636.730 5.742 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(I)cc1 ZINC000409334133 1072347487 /nfs/dbraw/zinc/34/74/87/1072347487.db2.gz UGIQCNSSFLRJHY-LPYMAVHISA-N 0 0 615.405 5.453 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409333959 1072350722 /nfs/dbraw/zinc/35/07/22/1072350722.db2.gz GICMFPASCWIWLA-XLHJEKARSA-N 0 0 756.840 6.224 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105573 1072349438 /nfs/dbraw/zinc/34/94/38/1072349438.db2.gz LETLEYCMGVQGAW-DWLKXISJSA-N 0 0 662.768 5.753 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409104114 1072357389 /nfs/dbraw/zinc/35/73/89/1072357389.db2.gz DQZCFPBHXICZHI-SJXDCSIJSA-N 0 0 679.220 5.834 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409103707 1072360182 /nfs/dbraw/zinc/36/01/82/1072360182.db2.gz BLEDTWWFNABNJR-YDZHTSKRSA-N 0 0 609.433 5.175 40 5 KKBBRN O=C(O[C@@H](c1nc2ccccc2[nH]1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000409331145 1072372093 /nfs/dbraw/zinc/37/20/93/1072372093.db2.gz CPAHQSYSOUYHFA-CLJLJLNGSA-N 0 0 592.524 5.752 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409113974 1072369237 /nfs/dbraw/zinc/36/92/37/1072369237.db2.gz HXRGPCPGQJBVSV-GVMLUORFSA-N 0 0 655.958 5.688 40 5 KKBBRN CCCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OCC ZINC000409115035 1072378491 /nfs/dbraw/zinc/37/84/91/1072378491.db2.gz HXDAONJVECOIFR-JGCGQSQUSA-N 0 0 551.643 7.144 40 5 KKBBRN CCCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OCC ZINC000409115039 1072378584 /nfs/dbraw/zinc/37/85/84/1072378584.db2.gz HXDAONJVECOIFR-YTTGMZPUSA-N 0 0 551.643 7.144 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409329865 1072383071 /nfs/dbraw/zinc/38/30/71/1072383071.db2.gz HXTXOJJRTRNTFW-NDENLUEZSA-N 0 0 632.392 5.070 40 5 KKBBRN COc1cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113877 1072383364 /nfs/dbraw/zinc/38/33/64/1072383364.db2.gz GDQWEQQNCMXLNO-XMMPIXPASA-N 0 0 656.429 5.853 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1Br ZINC000409329358 1072385791 /nfs/dbraw/zinc/38/57/91/1072385791.db2.gz FIULAWOMQIDOQS-UUASQNMZSA-N 0 0 531.171 5.339 40 5 KKBBRN CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113139 1072386566 /nfs/dbraw/zinc/38/65/66/1072386566.db2.gz GVTPASGNHCJZJY-UHFFFAOYSA-N 0 0 532.378 6.352 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 ZINC000409112764 1072388441 /nfs/dbraw/zinc/38/84/41/1072388441.db2.gz CWUXYOSBMSAWFR-ODLFYWEKSA-N 0 0 652.226 6.290 40 5 KKBBRN COc1cc(CNc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112125 1072390129 /nfs/dbraw/zinc/39/01/29/1072390129.db2.gz FAIHNRCRKPWYMP-UHFFFAOYSA-N 0 0 504.324 5.708 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000409111694 1072391635 /nfs/dbraw/zinc/39/16/35/1072391635.db2.gz DMQDBVFAQQQDMU-PGUFJCEWSA-N 0 0 699.001 8.960 40 5 KKBBRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111604 1072392556 /nfs/dbraw/zinc/39/25/56/1072392556.db2.gz CYUSVNNQOZBMBF-UHFFFAOYSA-N 0 0 505.796 6.909 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000409110423 1072396717 /nfs/dbraw/zinc/39/67/17/1072396717.db2.gz BWXDXTDHUZHAQS-HHHXNRCGSA-N 0 0 518.400 7.263 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C ZINC000409347130 1072409218 /nfs/dbraw/zinc/40/92/18/1072409218.db2.gz MHOGQYXDENPWNJ-HXUWFJFHSA-N 0 0 551.456 5.196 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C ZINC000409347127 1072409274 /nfs/dbraw/zinc/40/92/74/1072409274.db2.gz MHOGQYXDENPWNJ-FQEVSTJZSA-N 0 0 551.456 5.196 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107503 1072414873 /nfs/dbraw/zinc/41/48/73/1072414873.db2.gz WIAVLEIWIYQGRS-ADUBFANXSA-N 0 0 662.768 5.753 40 5 KKBBRN C[C@H](NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409122527 1072422110 /nfs/dbraw/zinc/42/21/10/1072422110.db2.gz ZESUXNVSSHIRTC-WZPDBAAASA-N 0 0 626.713 7.212 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 ZINC000409121378 1072427017 /nfs/dbraw/zinc/42/70/17/1072427017.db2.gz WNHUVINGWHEOMD-XKZIYDEJSA-N 0 0 507.384 6.480 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 ZINC000409119904 1072433481 /nfs/dbraw/zinc/43/34/81/1072433481.db2.gz UVDZWFZDUCBMHR-NHDPSOOVSA-N 0 0 680.280 6.926 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(I)cc1 ZINC000409344274 1072433831 /nfs/dbraw/zinc/43/38/31/1072433831.db2.gz IHLGEHPQERTHKP-VXLYETTFSA-N 0 0 609.785 5.788 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409343211 1072442420 /nfs/dbraw/zinc/44/24/20/1072442420.db2.gz DAJQQBNUCYIMLE-MFKUBSTISA-N 0 0 531.590 5.972 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000409127092 1072447238 /nfs/dbraw/zinc/44/72/38/1072447238.db2.gz BYDBRTPXJGZVLC-UUWRZZSWSA-N 0 0 590.680 6.348 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342251 1072450986 /nfs/dbraw/zinc/45/09/86/1072450986.db2.gz CXSDUJWPSTXUBB-VULFUBBASA-N 0 0 629.613 7.603 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409126427 1072452617 /nfs/dbraw/zinc/45/26/17/1072452617.db2.gz OXLQKENXEDQICI-WGOQTCKBSA-N 0 0 597.487 7.004 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 ZINC000409123972 1072470249 /nfs/dbraw/zinc/47/02/49/1072470249.db2.gz GEPLCPVHZPXMME-CIAFOILYSA-N 0 0 506.502 7.023 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409127354 1072472474 /nfs/dbraw/zinc/47/24/74/1072472474.db2.gz JETMHYBALUZYDY-QFIPXVFZSA-N 0 0 636.516 5.309 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137014 1072473523 /nfs/dbraw/zinc/47/35/23/1072473523.db2.gz UNSZBBGMWPSGQS-QHCPKHFHSA-N 0 0 650.543 5.792 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137133 1072474671 /nfs/dbraw/zinc/47/46/71/1072474671.db2.gz WMFJMWQEFFPZIC-NRFANRHFSA-N 0 0 575.489 5.135 40 5 KKBBRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409136783 1072475916 /nfs/dbraw/zinc/47/59/16/1072475916.db2.gz ZMOCHXQDBQJNGJ-LICLKQGHSA-N 0 0 572.231 5.382 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409136446 1072478079 /nfs/dbraw/zinc/47/80/79/1072478079.db2.gz TVOJAFMFUCYYRV-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338585 1072484059 /nfs/dbraw/zinc/48/40/59/1072484059.db2.gz MPKJNJCIGQLKED-LGJNPRDNSA-N 0 0 640.512 6.743 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)N1Cc1ccccc1 ZINC000409135129 1072486219 /nfs/dbraw/zinc/48/62/19/1072486219.db2.gz QAPFPUQVRLLWCZ-UMSFTDKQSA-N 0 0 555.634 7.535 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338243 1072486727 /nfs/dbraw/zinc/48/67/27/1072486727.db2.gz GLCTXUIEFPHOFO-CVKSISIWSA-N 0 0 654.539 7.133 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409132252 1072505164 /nfs/dbraw/zinc/50/51/64/1072505164.db2.gz PDBQYUUMYXOCKC-LPYMAVHISA-N 0 0 517.003 6.452 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409132184 1072506384 /nfs/dbraw/zinc/50/63/84/1072506384.db2.gz ZPFNUTFJFRTNJE-KOEQRZSOSA-N 0 0 504.564 5.852 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C ZINC000409355789 1072506525 /nfs/dbraw/zinc/50/65/25/1072506525.db2.gz LHSKJAJYLWLMMU-FQEVSTJZSA-N 0 0 551.456 5.196 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355063 1072512177 /nfs/dbraw/zinc/51/21/77/1072512177.db2.gz BHISDNQVCFTVAB-KEPJHFNWSA-N 0 0 692.588 5.755 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409130621 1072513908 /nfs/dbraw/zinc/51/39/08/1072513908.db2.gz INIRELQXMZFUKY-HHHXNRCGSA-N 0 0 501.564 5.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353902 1072518389 /nfs/dbraw/zinc/51/83/89/1072518389.db2.gz UJNJWLFRKBBFBA-UQDCTOEPSA-N 0 0 604.084 5.247 40 5 KKBBRN O=C1Nc2ccccc2/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409129565 1072518712 /nfs/dbraw/zinc/51/87/12/1072518712.db2.gz HDDMLBMKESMRRL-MFOYZWKCSA-N 0 0 624.172 5.876 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409129823 1072518759 /nfs/dbraw/zinc/51/87/59/1072518759.db2.gz SQOCSOAHWJHCAV-NLRVBDNBSA-N 0 0 518.591 6.242 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409144459 1072533296 /nfs/dbraw/zinc/53/32/96/1072533296.db2.gz YOUFDWYIEIRHDJ-URFJJRPFSA-N 0 0 695.848 6.124 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409351055 1072538148 /nfs/dbraw/zinc/53/81/48/1072538148.db2.gz XGAJGOJFPIGVID-GKTKDVHMSA-N 0 0 713.006 6.018 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141397 1072552741 /nfs/dbraw/zinc/55/27/41/1072552741.db2.gz NRQSGIWQJXQTTQ-DBHVVYFFSA-N 0 0 698.595 6.510 40 5 KKBBRN CCCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409141671 1072552806 /nfs/dbraw/zinc/55/28/06/1072552806.db2.gz WIKIRSUEMASBMP-PMERELPUSA-N 0 0 507.590 6.745 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409139351 1072564719 /nfs/dbraw/zinc/56/47/19/1072564719.db2.gz CWXOBPIRNDKPJX-KEQCBNTKSA-N 0 0 636.155 5.306 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409146099 1072583246 /nfs/dbraw/zinc/58/32/46/1072583246.db2.gz JGYJPINKMQKVAK-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364109 1072586366 /nfs/dbraw/zinc/58/63/66/1072586366.db2.gz LIRQYXATDOWJMJ-CVXNTFFOSA-N 0 0 661.567 6.325 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409145512 1072586531 /nfs/dbraw/zinc/58/65/31/1072586531.db2.gz RAMYMLGHLFXFKC-OGMUYLFESA-N 0 0 605.672 5.439 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409145213 1072588319 /nfs/dbraw/zinc/58/83/19/1072588319.db2.gz NGAVFVJFPFOKGP-LLXISZFLSA-N 0 0 693.807 5.801 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409145216 1072588352 /nfs/dbraw/zinc/58/83/52/1072588352.db2.gz NGAVFVJFPFOKGP-PLNPHXOGSA-N 0 0 693.807 5.801 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409147294 1072590580 /nfs/dbraw/zinc/59/05/80/1072590580.db2.gz YDPCLEDDTDAJRN-UQDCTOEPSA-N 0 0 645.763 5.053 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409156807 1072593912 /nfs/dbraw/zinc/59/39/12/1072593912.db2.gz PCZPWZFIBOYIHU-QRVIBDJDSA-N 0 0 598.431 5.620 40 5 KKBBRN Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409362055 1072596412 /nfs/dbraw/zinc/59/64/12/1072596412.db2.gz QXWOHHRPAPOBCI-UHFFFAOYSA-N 0 0 532.862 5.848 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409155208 1072601866 /nfs/dbraw/zinc/60/18/66/1072601866.db2.gz CNVQXFBVAUDAOX-BKUYFWCQSA-N 0 0 605.444 5.370 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl ZINC000409154160 1072607792 /nfs/dbraw/zinc/60/77/92/1072607792.db2.gz JXXGYFVVXHAASP-UHFFFAOYSA-N 0 0 549.465 6.343 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359015 1072616329 /nfs/dbraw/zinc/61/63/29/1072616329.db2.gz VIECEVDIGPVBPD-PIXWUVMMSA-N 0 0 678.561 5.365 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359010 1072616331 /nfs/dbraw/zinc/61/63/31/1072616331.db2.gz VIECEVDIGPVBPD-JBDHCHCMSA-N 0 0 678.561 5.365 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409358901 1072617339 /nfs/dbraw/zinc/61/73/39/1072617339.db2.gz MMZRUXLVCFFHAM-PLMBTIQCSA-N 0 0 627.122 5.671 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409152358 1072618106 /nfs/dbraw/zinc/61/81/06/1072618106.db2.gz JPZNOULBHJZIPL-VXLYETTFSA-N 0 0 564.211 6.616 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409152073 1072620322 /nfs/dbraw/zinc/62/03/22/1072620322.db2.gz DFUUKADAQBJJHX-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409151031 1072624991 /nfs/dbraw/zinc/62/49/91/1072624991.db2.gz FTWTWSRWFLSZQC-DHRITJCHSA-N 0 0 626.043 5.688 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl ZINC000409150543 1072628903 /nfs/dbraw/zinc/62/89/03/1072628903.db2.gz CQXKPZACBOUNDE-OEAKJJBVSA-N 0 0 584.006 6.140 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409150134 1072631391 /nfs/dbraw/zinc/63/13/91/1072631391.db2.gz AJVUMXNZXOHGHC-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149973 1072633022 /nfs/dbraw/zinc/63/30/22/1072633022.db2.gz WXUBPJNJXQNWEF-AWQNYARGSA-N 0 0 796.321 7.426 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149610 1072634568 /nfs/dbraw/zinc/63/45/68/1072634568.db2.gz LARFLUOFOREINO-JBDHCHCMSA-N 0 0 724.659 5.816 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c(C)c1 ZINC000409374626 1072636356 /nfs/dbraw/zinc/63/63/56/1072636356.db2.gz VIPDBGKUOGUPSE-FOKLQQMPSA-N 0 0 664.456 7.769 40 5 KKBBRN COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409373869 1072640648 /nfs/dbraw/zinc/64/06/48/1072640648.db2.gz VNJUGNAEVNHXBZ-UHFFFAOYSA-N 0 0 556.482 5.438 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409371049 1072650715 /nfs/dbraw/zinc/65/07/15/1072650715.db2.gz AOAQPBAHFVNLHS-FSJBWODESA-N 0 0 519.579 6.072 40 5 KKBBRN O=C1NC(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409165903 1072653234 /nfs/dbraw/zinc/65/32/34/1072653234.db2.gz ALSOPFSZWQUNEY-RGVLZGJSSA-N 0 0 607.642 6.450 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164932 1072656872 /nfs/dbraw/zinc/65/68/72/1072656872.db2.gz PWMVUKXZLGCQJP-FSJBWODESA-N 0 0 582.522 5.508 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409164370 1072660003 /nfs/dbraw/zinc/66/00/03/1072660003.db2.gz HPJJDONJAMACEJ-LSHDLFTRSA-N 0 0 642.986 5.419 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409163907 1072661650 /nfs/dbraw/zinc/66/16/50/1072661650.db2.gz ZIPGAUWJFLEPDS-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)Cn3nc(COc4ccc5c(c4)CCCC5)oc3=S)n2)cc1[N+](=O)[O-] ZINC000409164133 1072661705 /nfs/dbraw/zinc/66/17/05/1072661705.db2.gz CWFBKHYSTLWGSZ-UHFFFAOYSA-N 0 0 537.623 5.642 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)cc1 ZINC000409368735 1072662541 /nfs/dbraw/zinc/66/25/41/1072662541.db2.gz KGCDUDIPQUQREA-UHFFFAOYSA-N 0 0 526.456 5.430 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409163823 1072662679 /nfs/dbraw/zinc/66/26/79/1072662679.db2.gz YIHKSJSFZVWECF-VULFUBBASA-N 0 0 732.993 7.230 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 ZINC000409163622 1072663065 /nfs/dbraw/zinc/66/30/65/1072663065.db2.gz VEMKVAMSHVJVFR-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 ZINC000409162816 1072668010 /nfs/dbraw/zinc/66/80/10/1072668010.db2.gz IEYZISUDAHQSBN-FQEVSTJZSA-N 0 0 572.072 5.348 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409162579 1072668402 /nfs/dbraw/zinc/66/84/02/1072668402.db2.gz GBZSGHKVYSSQLL-UFKHLRDRSA-N 0 0 649.725 6.199 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 ZINC000409162232 1072672232 /nfs/dbraw/zinc/67/22/32/1072672232.db2.gz YTMUBIPFXNYUAG-UFFVCSGVSA-N 0 0 554.924 5.624 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161013 1072679847 /nfs/dbraw/zinc/67/98/47/1072679847.db2.gz SHZYLPAUEGDWEI-KSEXSDGBSA-N 0 0 618.045 5.008 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409160680 1072680932 /nfs/dbraw/zinc/68/09/32/1072680932.db2.gz HVVUNJXDXGLIOU-NFYDWNOTSA-N 0 0 696.605 5.036 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409160520 1072681960 /nfs/dbraw/zinc/68/19/60/1072681960.db2.gz QVRNSMQNOSYNEB-HMAPJEAMSA-N 0 0 568.995 5.281 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409160018 1072685619 /nfs/dbraw/zinc/68/56/19/1072685619.db2.gz SAFGRWQPYNLWQR-ZMOGYAJESA-N 0 0 617.558 6.488 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409160052 1072685642 /nfs/dbraw/zinc/68/56/42/1072685642.db2.gz SFGXQCNKMKCDOK-XKZIYDEJSA-N 0 0 523.954 5.502 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409159587 1072687690 /nfs/dbraw/zinc/68/76/90/1072687690.db2.gz NVQLBZSOAHFFHQ-UUYOSTAYSA-N 0 0 523.954 5.502 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409159090 1072689971 /nfs/dbraw/zinc/68/99/71/1072689971.db2.gz ZBZBTOXAPXFXOC-ZMOGYAJESA-N 0 0 568.007 5.901 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1C ZINC000409158299 1072695497 /nfs/dbraw/zinc/69/54/97/1072695497.db2.gz SLJKGGCMWQMKRI-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 ZINC000409384955 1072695712 /nfs/dbraw/zinc/69/57/12/1072695712.db2.gz HCVPUZZVUGEANY-KEBDBYFISA-N 0 0 652.273 6.315 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409157831 1072697228 /nfs/dbraw/zinc/69/72/28/1072697228.db2.gz RYSQIBZBWMNCSR-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409166973 1072701078 /nfs/dbraw/zinc/70/10/78/1072701078.db2.gz GTMLAWWEXTXDCU-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(Cl)c1 ZINC000409166654 1072702291 /nfs/dbraw/zinc/70/22/91/1072702291.db2.gz DOYRXZZFJCYANK-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409167340 1072705397 /nfs/dbraw/zinc/70/53/97/1072705397.db2.gz ILGLENXZRKDHJE-AWQFTUOYSA-N 0 0 572.349 5.021 40 5 KKBBRN COc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409177205 1072705947 /nfs/dbraw/zinc/70/59/47/1072705947.db2.gz DKWVIJNOFRKUGJ-PMERELPUSA-N 0 0 518.525 6.600 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176831 1072706422 /nfs/dbraw/zinc/70/64/22/1072706422.db2.gz YWQKLUZPKYVUOP-SANMLTNESA-N 0 0 548.960 7.089 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)N1CCc2ccccc2C1 ZINC000409382536 1072707013 /nfs/dbraw/zinc/70/70/13/1072707013.db2.gz OOFJWKGUBNHLSR-RHANQZHGSA-N 0 0 579.634 5.948 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409176295 1072707573 /nfs/dbraw/zinc/70/75/73/1072707573.db2.gz JSKBAJRUNKRCPU-SANMLTNESA-N 0 0 551.467 5.085 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000409176309 1072708057 /nfs/dbraw/zinc/70/80/57/1072708057.db2.gz KBQMMDIOWGMMQR-NDEPHWFRSA-N 0 0 534.524 5.793 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409381888 1072709316 /nfs/dbraw/zinc/70/93/16/1072709316.db2.gz ONTQVCMHTLLHBB-NRFANRHFSA-N 0 0 607.426 5.555 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176646 1072710206 /nfs/dbraw/zinc/71/02/06/1072710206.db2.gz UECIUYGJBSWDMK-UHFFFAOYSA-N 0 0 578.112 5.119 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409176503 1072711105 /nfs/dbraw/zinc/71/11/05/1072711105.db2.gz PLLCXOPLKNYQTF-SANMLTNESA-N 0 0 551.467 5.085 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C ZINC000409175725 1072714461 /nfs/dbraw/zinc/71/44/61/1072714461.db2.gz BEIGHZZIWNYDGY-MUUNZHRXSA-N 0 0 529.570 5.825 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409175507 1072716507 /nfs/dbraw/zinc/71/65/07/1072716507.db2.gz ZPYRNXBXWPCUPF-RUZDIDTESA-N 0 0 522.340 7.475 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409175287 1072716957 /nfs/dbraw/zinc/71/69/57/1072716957.db2.gz YXPHCCAPTUNBLT-DEOSSOPVSA-N 0 0 534.874 6.153 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409174994 1072718179 /nfs/dbraw/zinc/71/81/79/1072718179.db2.gz XMOFFSHMGNXJFA-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 ZINC000409174723 1072719930 /nfs/dbraw/zinc/71/99/30/1072719930.db2.gz UJWKVBGJPCEMDY-UHFFFAOYSA-N 0 0 524.485 5.553 40 5 KKBBRN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409174776 1072720432 /nfs/dbraw/zinc/72/04/32/1072720432.db2.gz VAIOUJFSMDNQIP-UHFFFAOYSA-N 0 0 530.920 6.333 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409174821 1072720837 /nfs/dbraw/zinc/72/08/37/1072720837.db2.gz VRQFJJUGWBCVRE-XMMPIXPASA-N 0 0 501.322 5.788 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409174569 1072721338 /nfs/dbraw/zinc/72/13/38/1072721338.db2.gz NRNZYFHOXDHONV-FOKLQQMPSA-N 0 0 598.977 6.022 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)o1 ZINC000409174147 1072723389 /nfs/dbraw/zinc/72/33/89/1072723389.db2.gz LOMKSACDMGUBHG-RGVLZGJSSA-N 0 0 515.341 5.862 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409393300 1072724862 /nfs/dbraw/zinc/72/48/62/1072724862.db2.gz PVCJQFHUYOLAMR-CFRMEGHHSA-N 0 0 536.009 5.613 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000409173486 1072728158 /nfs/dbraw/zinc/72/81/58/1072728158.db2.gz ITFICJXCPRYJIB-SSDVNMTOSA-N 0 0 566.573 5.692 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)o1 ZINC000409389982 1072731117 /nfs/dbraw/zinc/73/11/17/1072731117.db2.gz RWXBOHIUKOGMPH-NGYBGAFCSA-N 0 0 523.306 5.778 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1 ZINC000409389283 1072733784 /nfs/dbraw/zinc/73/37/84/1072733784.db2.gz OBWYTULTCMDVDF-ZMOGYAJESA-N 0 0 531.546 5.522 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409171962 1072736671 /nfs/dbraw/zinc/73/66/71/1072736671.db2.gz FOMMYLGTMQEPIT-WYMPLXKRSA-N 0 0 707.930 6.814 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000409171228 1072741437 /nfs/dbraw/zinc/74/14/37/1072741437.db2.gz YVKQMYZFKSKDBP-FSJBWODESA-N 0 0 505.552 5.763 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409170967 1072742844 /nfs/dbraw/zinc/74/28/44/1072742844.db2.gz YMORENKYPNLNTD-YSURURNPSA-N 0 0 608.541 5.098 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409170804 1072743204 /nfs/dbraw/zinc/74/32/04/1072743204.db2.gz XHHUUIMXUPSYRW-SRZZPIQSSA-N 0 0 586.376 6.303 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409170514 1072744853 /nfs/dbraw/zinc/74/48/53/1072744853.db2.gz VCWPZYACCFPRCD-ZMOGYAJESA-N 0 0 578.559 5.677 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409399410 1072750098 /nfs/dbraw/zinc/75/00/98/1072750098.db2.gz IMRMOYJTAQFJBU-UWVJOHFNSA-N 0 0 679.274 5.570 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409169392 1072750720 /nfs/dbraw/zinc/75/07/20/1072750720.db2.gz QCCYIFOCEVCISX-MFKUBSTISA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409169109 1072751974 /nfs/dbraw/zinc/75/19/74/1072751974.db2.gz ORWDHFRGQUFHAH-BKUYFWCQSA-N 0 0 534.550 5.083 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409398326 1072752852 /nfs/dbraw/zinc/75/28/52/1072752852.db2.gz CWAZWBSLQCPZJY-OCKHKDLRSA-N 0 0 590.770 5.062 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409168583 1072753895 /nfs/dbraw/zinc/75/38/95/1072753895.db2.gz NARDYCGPMMEZAY-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 ZINC000409168165 1072756320 /nfs/dbraw/zinc/75/63/20/1072756320.db2.gz KZPJMWZFPIFYNR-UFFVCSGVSA-N 0 0 577.924 6.734 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(I)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409167970 1072756711 /nfs/dbraw/zinc/75/67/11/1072756711.db2.gz PFQVMGBJURPLKW-UHFFFAOYSA-N 0 0 629.860 5.312 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409167861 1072758048 /nfs/dbraw/zinc/75/80/48/1072758048.db2.gz OPOYIHGMZVNBOB-UHFFFAOYSA-N 0 0 659.142 5.508 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409167677 1072758533 /nfs/dbraw/zinc/75/85/33/1072758533.db2.gz JPROLQFNEWCUBF-WYMPLXKRSA-N 0 0 612.458 5.928 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184519 1072776233 /nfs/dbraw/zinc/77/62/33/1072776233.db2.gz XUFONZQUDZTCBR-KEQCBNTKSA-N 0 0 578.046 5.237 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1Cl ZINC000409184322 1072777003 /nfs/dbraw/zinc/77/70/03/1072777003.db2.gz XJPUGJQZBNHTRS-YZSQISJMSA-N 0 0 548.020 6.537 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000409183043 1072786225 /nfs/dbraw/zinc/78/62/25/1072786225.db2.gz QMURSKJEPQJVKD-GDLZYMKVSA-N 0 0 598.995 6.455 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409182597 1072788932 /nfs/dbraw/zinc/78/89/32/1072788932.db2.gz MYXJBINJHFOIFL-KKLWWLSJSA-N 0 0 644.592 7.065 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409182499 1072790176 /nfs/dbraw/zinc/79/01/76/1072790176.db2.gz LYPNSMRGBLDCRX-WSDLNYQXSA-N 0 0 534.550 5.083 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409182439 1072790604 /nfs/dbraw/zinc/79/06/04/1072790604.db2.gz KWFZZJGWTYEUBB-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409182307 1072790932 /nfs/dbraw/zinc/79/09/32/1072790932.db2.gz KHEKXBJBBXGCAQ-UHFFFAOYSA-N 0 0 544.519 6.698 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2C1=O ZINC000409182295 1072791039 /nfs/dbraw/zinc/79/10/39/1072791039.db2.gz KGIQBRTZDYUDOY-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409182229 1072792394 /nfs/dbraw/zinc/79/23/94/1072792394.db2.gz JJCKLVOLOUYJPU-MHZLTWQESA-N 0 0 565.494 5.393 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181983 1072793330 /nfs/dbraw/zinc/79/33/30/1072793330.db2.gz HHLCRGWAJCPIJL-HAWPWTPLSA-N 0 0 642.737 6.171 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000409182014 1072793885 /nfs/dbraw/zinc/79/38/85/1072793885.db2.gz HNCYODBHZKNVRK-SANMLTNESA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409181870 1072794295 /nfs/dbraw/zinc/79/42/95/1072794295.db2.gz GBGBHPRWGXVXOC-UHFFFAOYSA-N 0 0 567.381 7.068 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000409181535 1072798325 /nfs/dbraw/zinc/79/83/25/1072798325.db2.gz CUKQWUIXHDERTB-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409181149 1072799367 /nfs/dbraw/zinc/79/93/67/1072799367.db2.gz XWCIRXIHJNUAGE-MFKUBSTISA-N 0 0 547.589 5.420 40 5 KKBBRN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C3=O)cc1[N+](=O)[O-] ZINC000409181153 1072799426 /nfs/dbraw/zinc/79/94/26/1072799426.db2.gz XYDNCDVPNDFZAO-UHFFFAOYSA-N 0 0 546.841 5.416 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000409180972 1072800097 /nfs/dbraw/zinc/80/00/97/1072800097.db2.gz ZYNFBFOFRQQSDZ-UHFFFAOYSA-N 0 0 545.378 8.266 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409180918 1072800946 /nfs/dbraw/zinc/80/09/46/1072800946.db2.gz UVOBFOXYBJEMFC-UHFFFAOYSA-N 0 0 536.949 7.457 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409180912 1072800965 /nfs/dbraw/zinc/80/09/65/1072800965.db2.gz UPXUXAZYKYOWIG-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409180843 1072801422 /nfs/dbraw/zinc/80/14/22/1072801422.db2.gz WLBHGKPBUUNRJA-RUZDIDTESA-N 0 0 538.408 7.834 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409180820 1072801439 /nfs/dbraw/zinc/80/14/39/1072801439.db2.gz SFHVKFDKPKKRBR-QRVIBDJDSA-N 0 0 505.552 5.709 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180856 1072801578 /nfs/dbraw/zinc/80/15/78/1072801578.db2.gz WLTQIAZXIBEUBB-KGDDRZKESA-N 0 0 750.833 5.526 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180452 1072804023 /nfs/dbraw/zinc/80/40/23/1072804023.db2.gz SZDXKIIDAOBXDE-SANMLTNESA-N 0 0 575.360 6.483 40 5 KKBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180301 1072804940 /nfs/dbraw/zinc/80/49/40/1072804940.db2.gz QRCPBVRJCPEADZ-HHHXNRCGSA-N 0 0 589.387 6.792 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl ZINC000409179968 1072806616 /nfs/dbraw/zinc/80/66/16/1072806616.db2.gz RDTFTXLJFMFJHY-XMMPIXPASA-N 0 0 501.322 5.788 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C ZINC000409179540 1072809087 /nfs/dbraw/zinc/80/90/87/1072809087.db2.gz RXHZTZYSGCBMHJ-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409178654 1072815173 /nfs/dbraw/zinc/81/51/73/1072815173.db2.gz MKMTUFXRGSRGLR-UHFFFAOYSA-N 0 0 577.376 7.160 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000409178555 1072815631 /nfs/dbraw/zinc/81/56/31/1072815631.db2.gz LBSUECIZOBSHJK-UHFFFAOYSA-N 0 0 528.473 6.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178341 1072816850 /nfs/dbraw/zinc/81/68/50/1072816850.db2.gz GPPMETYHPQINJA-ZDGAQAAHSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178338 1072816877 /nfs/dbraw/zinc/81/68/77/1072816877.db2.gz GPPMETYHPQINJA-AQIZGWBQSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Br)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178419 1072817246 /nfs/dbraw/zinc/81/72/46/1072817246.db2.gz HNPIESZMKPUNDW-KEQCBNTKSA-N 0 0 622.497 5.346 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000409177927 1072819333 /nfs/dbraw/zinc/81/93/33/1072819333.db2.gz DZLPYFNSYNRTEJ-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177977 1072819824 /nfs/dbraw/zinc/81/98/24/1072819824.db2.gz HZDWBGLDRQOUMM-AREMUKBSSA-N 0 0 551.467 5.085 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177993 1072820283 /nfs/dbraw/zinc/82/02/83/1072820283.db2.gz FRIZBGGXJJTWKI-MHZLTWQESA-N 0 0 570.941 5.838 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409177741 1072821890 /nfs/dbraw/zinc/82/18/90/1072821890.db2.gz IFVCATCJNHKPGE-UHFFFAOYSA-N 0 0 520.881 7.098 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)o1 ZINC000409177470 1072822300 /nfs/dbraw/zinc/82/23/00/1072822300.db2.gz FOCSSEJJGNEFAR-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409177574 1072822982 /nfs/dbraw/zinc/82/29/82/1072822982.db2.gz CFFYZLZQWLPDOM-ZMOGYAJESA-N 0 0 578.559 5.541 40 5 KKBBRN O=C(CCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 ZINC000409177387 1072823354 /nfs/dbraw/zinc/82/33/54/1072823354.db2.gz DAQQDBZRXVPCGF-UHFFFAOYSA-N 0 0 612.820 6.496 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409197027 1072827112 /nfs/dbraw/zinc/82/71/12/1072827112.db2.gz UHGBOZXAJSITKU-NPNVKNKFSA-N 0 0 554.499 5.793 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409196485 1072831100 /nfs/dbraw/zinc/83/11/00/1072831100.db2.gz ZLJQLVPSGAATNW-VMCUCKNMSA-N 0 0 757.338 7.693 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409196057 1072833659 /nfs/dbraw/zinc/83/36/59/1072833659.db2.gz MTWYCTZLKNFAFR-QRVIBDJDSA-N 0 0 548.577 5.473 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000409195413 1072836121 /nfs/dbraw/zinc/83/61/21/1072836121.db2.gz IPJHACBEZXAGNF-BKUYFWCQSA-N 0 0 504.524 5.020 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409194891 1072840103 /nfs/dbraw/zinc/84/01/03/1072840103.db2.gz DXOYRROBRMOGBL-BRJLIKDPSA-N 0 0 626.043 5.688 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409194660 1072842422 /nfs/dbraw/zinc/84/24/22/1072842422.db2.gz QMQUIPZERUCXNS-DJTCXORXSA-N 0 0 711.584 6.089 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409194432 1072843067 /nfs/dbraw/zinc/84/30/67/1072843067.db2.gz LHNXTOSQUNDLFZ-IPAKXIGBSA-N 0 0 751.674 6.738 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409194373 1072844585 /nfs/dbraw/zinc/84/45/85/1072844585.db2.gz KNCLRPZLUAVSAI-MZJWZYIUSA-N 0 0 654.097 6.468 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409194331 1072844631 /nfs/dbraw/zinc/84/46/31/1072844631.db2.gz AQLJNVCWHNVKOQ-FMCGGJTJSA-N 0 0 584.031 5.846 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409194091 1072846943 /nfs/dbraw/zinc/84/69/43/1072846943.db2.gz NQHFKUROIJCODP-ODLFYWEKSA-N 0 0 572.165 5.684 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194053 1072847010 /nfs/dbraw/zinc/84/70/10/1072847010.db2.gz MWBFBMPZTHHCDQ-MRWVFDTMSA-N 0 0 759.266 6.298 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409193552 1072849259 /nfs/dbraw/zinc/84/92/59/1072849259.db2.gz GKPXHOAYDOALOZ-LXYLXTGBSA-N 0 0 723.620 5.958 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409193058 1072852712 /nfs/dbraw/zinc/85/27/12/1072852712.db2.gz HQAFASMRQXHMBX-XQNWCSQWSA-N 0 0 705.193 5.929 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409192987 1072852727 /nfs/dbraw/zinc/85/27/27/1072852727.db2.gz HSXOALAWIAWIFL-KCQXITDRSA-N 0 0 758.065 6.612 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409193067 1072853006 /nfs/dbraw/zinc/85/30/06/1072853006.db2.gz HSMJNXSBGQTXMB-WQNUKSJVSA-N 0 0 737.647 6.347 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409192653 1072853433 /nfs/dbraw/zinc/85/34/33/1072853433.db2.gz DKJYSYJCPDUJHQ-NSFNGMEESA-N 0 0 598.203 6.083 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000409192584 1072855132 /nfs/dbraw/zinc/85/51/32/1072855132.db2.gz YUFPTJFBTRIUOG-BYHXYDORSA-N 0 0 518.909 5.610 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409192533 1072855252 /nfs/dbraw/zinc/85/52/52/1072855252.db2.gz DSPTVHPMLXNQRC-MSQRCHFZSA-N 0 0 832.542 6.729 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409192306 1072856682 /nfs/dbraw/zinc/85/66/82/1072856682.db2.gz CFNHGHTYGRZZNF-ZTJHJZSNSA-N 0 0 767.673 6.357 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409192314 1072856812 /nfs/dbraw/zinc/85/68/12/1072856812.db2.gz WJPVABQOFFMSDR-FPWMYLJGSA-N 0 0 800.750 7.417 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409192114 1072857206 /nfs/dbraw/zinc/85/72/06/1072857206.db2.gz AJKOSQOFRBGFBY-SPLCHINYSA-N 0 0 790.110 7.740 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191092 1072864726 /nfs/dbraw/zinc/86/47/26/1072864726.db2.gz SEWBANRXOZSBOG-XIHDXPBISA-N 0 0 830.570 7.501 40 5 KKBBRN COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000409190389 1072870583 /nfs/dbraw/zinc/87/05/83/1072870583.db2.gz YCOZZWYHDSEYKI-ANXWUVDLSA-N 0 0 628.229 6.092 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409190202 1072871154 /nfs/dbraw/zinc/87/11/54/1072871154.db2.gz MOSJCLQNXZCRRI-ITNPZBTBSA-N 0 0 747.255 5.807 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409190150 1072872829 /nfs/dbraw/zinc/87/28/29/1072872829.db2.gz LNXPAWKAOZLLAM-QVPVGFNESA-N 0 0 816.543 7.109 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189733 1072873896 /nfs/dbraw/zinc/87/38/96/1072873896.db2.gz SCHFYNYSYWKZTC-RGVLZGJSSA-N 0 0 535.792 7.375 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O ZINC000409189794 1072874324 /nfs/dbraw/zinc/87/43/24/1072874324.db2.gz STRZDHHLEHVIAE-CTSNWVIMSA-N 0 0 642.212 5.812 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409189596 1072875184 /nfs/dbraw/zinc/87/51/84/1072875184.db2.gz RDTDLRACNJWFEF-JBDHCHCMSA-N 0 0 746.683 7.087 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409189394 1072877169 /nfs/dbraw/zinc/87/71/69/1072877169.db2.gz GDTYHEAAARIYBS-LXYLXTGBSA-N 0 0 739.688 6.672 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409188995 1072878251 /nfs/dbraw/zinc/87/82/51/1072878251.db2.gz MIEMVOWNRWVPQZ-AGWINUGJSA-N 0 0 612.230 6.392 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)ccc1OC(C)=O ZINC000409189255 1072878543 /nfs/dbraw/zinc/87/85/43/1072878543.db2.gz NZPHTYZGOACNIY-QIHFTWRUSA-N 0 0 607.369 5.255 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409188707 1072880909 /nfs/dbraw/zinc/88/09/09/1072880909.db2.gz KHUBVXCQZRAZRB-JBVGNYNVSA-N 0 0 858.196 7.698 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409188760 1072881019 /nfs/dbraw/zinc/88/10/19/1072881019.db2.gz GEYBIXZJDIWUHT-CCORILLZSA-N 0 0 773.655 7.226 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409188531 1072882623 /nfs/dbraw/zinc/88/26/23/1072882623.db2.gz CRNSVORRVVJBHV-QQMBNGEASA-N 0 0 761.282 6.195 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409188176 1072883547 /nfs/dbraw/zinc/88/35/47/1072883547.db2.gz BODJZYAUROKTLE-KJDHVJLISA-N 0 0 785.691 7.096 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409187658 1072886413 /nfs/dbraw/zinc/88/64/13/1072886413.db2.gz AKDZGAOVGQBIKW-KEPJHFNWSA-N 0 0 751.674 6.738 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl ZINC000409205943 1072894420 /nfs/dbraw/zinc/89/44/20/1072894420.db2.gz RPUDPWSXBBXLNO-QFEZKATASA-N 0 0 655.085 6.466 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1N1CCOCC1 ZINC000409205895 1072895540 /nfs/dbraw/zinc/89/55/40/1072895540.db2.gz QMSXOGUOIQSADJ-AFUMVMLFSA-N 0 0 707.481 6.680 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409205647 1072896152 /nfs/dbraw/zinc/89/61/52/1072896152.db2.gz JBQJNYURFTUFOL-JMIUGGIZSA-N 0 0 524.942 5.419 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205642 1072896184 /nfs/dbraw/zinc/89/61/84/1072896184.db2.gz RSXGIYRSTCUIAH-XKZIYDEJSA-N 0 0 548.577 5.473 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205774 1072897088 /nfs/dbraw/zinc/89/70/88/1072897088.db2.gz JYFXUCLCEPPYDA-UHFFFAOYSA-N 0 0 583.220 6.552 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409205095 1072900443 /nfs/dbraw/zinc/90/04/43/1072900443.db2.gz LKRWTODUYAVSJA-GIJQJNRQSA-N 0 0 517.441 5.256 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(F)cc2)cc1 ZINC000409204082 1072907023 /nfs/dbraw/zinc/90/70/23/1072907023.db2.gz APCMWGXZJKEHOQ-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409204125 1072907169 /nfs/dbraw/zinc/90/71/69/1072907169.db2.gz BPFMQMGGWXNRCM-SSDVNMTOSA-N 0 0 602.850 6.265 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409204162 1072907521 /nfs/dbraw/zinc/90/75/21/1072907521.db2.gz CHWPKSXOMYHXLH-NHDPSOOVSA-N 0 0 682.914 5.462 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201668 1072917248 /nfs/dbraw/zinc/91/72/48/1072917248.db2.gz XECKFNBGQGELFO-WPWMEQJKSA-N 0 0 697.564 5.847 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200541 1072920936 /nfs/dbraw/zinc/92/09/36/1072920936.db2.gz IBCAXFXJMJNTDF-YDZHTSKRSA-N 0 0 510.955 6.467 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000409200552 1072921409 /nfs/dbraw/zinc/92/14/09/1072921409.db2.gz MNDDKDNQOISQBP-WOJGMQOQSA-N 0 0 562.298 6.261 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409200446 1072922448 /nfs/dbraw/zinc/92/24/48/1072922448.db2.gz SFIHZFBANXDQEP-DKSCHZSNSA-N 0 0 603.369 6.546 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198134 1072931961 /nfs/dbraw/zinc/93/19/61/1072931961.db2.gz XXLXNZITOBLPOC-DHRITJCHSA-N 0 0 717.494 5.623 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409226994 1072971533 /nfs/dbraw/zinc/97/15/33/1072971533.db2.gz WYZNPTUUZVHHGV-MTJSOVHGSA-N 0 0 570.377 5.472 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409225329 1072979736 /nfs/dbraw/zinc/97/97/36/1072979736.db2.gz OHWJDCABCYFPBI-NDENLUEZSA-N 0 0 512.341 5.067 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409225092 1072980204 /nfs/dbraw/zinc/98/02/04/1072980204.db2.gz NKQLOQGDSOIORX-MSXFZWOLSA-N 0 0 647.481 5.361 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409223740 1072985983 /nfs/dbraw/zinc/98/59/83/1072985983.db2.gz IQEHCAIBKNQRAK-ZVHZXABRSA-N 0 0 644.443 6.096 40 5 KKBBRN O=C1NC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409223361 1072988380 /nfs/dbraw/zinc/98/83/80/1072988380.db2.gz FLMCFLWBXUFZQY-WOJGMQOQSA-N 0 0 503.820 6.157 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409222516 1072993243 /nfs/dbraw/zinc/99/32/43/1072993243.db2.gz DONPKQDJNVKNAB-RMORIDSASA-N 0 0 636.035 5.147 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409221761 1072996909 /nfs/dbraw/zinc/99/69/09/1072996909.db2.gz ASKXRLVRLXRVJK-WYMPLXKRSA-N 0 0 628.413 6.376 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409221821 1072997334 /nfs/dbraw/zinc/99/73/34/1072997334.db2.gz VHUILMORRBPZGC-WSDLNYQXSA-N 0 0 771.327 6.067 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409220860 1073001838 /nfs/dbraw/zinc/00/18/38/1073001838.db2.gz GYTZBFRMSYUOIZ-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN COc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409219265 1073008660 /nfs/dbraw/zinc/00/86/60/1073008660.db2.gz OYJWSALPGQOZMM-SRZZPIQSSA-N 0 0 543.351 5.545 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 ZINC000409217396 1073015859 /nfs/dbraw/zinc/01/58/59/1073015859.db2.gz CJGADSDOFXMJGP-SSDVNMTOSA-N 0 0 584.360 5.977 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409235225 1073045934 /nfs/dbraw/zinc/04/59/34/1073045934.db2.gz ZBFODFSQFZXIPM-RGVLZGJSSA-N 0 0 540.941 5.119 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409233225 1073055928 /nfs/dbraw/zinc/05/59/28/1073055928.db2.gz DSXIBKMYYOALPC-ZMOGYAJESA-N 0 0 623.460 5.429 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409246883 1073073430 /nfs/dbraw/zinc/07/34/30/1073073430.db2.gz KOFPJMLYLOFWTG-WYMPLXKRSA-N 0 0 603.878 7.225 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409244753 1073087480 /nfs/dbraw/zinc/08/74/80/1073087480.db2.gz IGFIOCIWQSQSMK-AFUMVMLFSA-N 0 0 544.564 5.720 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409243735 1073092064 /nfs/dbraw/zinc/09/20/64/1073092064.db2.gz XXVTXTKJLRVKMK-YDZHTSKRSA-N 0 0 658.303 5.793 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409243376 1073092809 /nfs/dbraw/zinc/09/28/09/1073092809.db2.gz VYSIGPUKLWEISY-YDZHTSKRSA-N 0 0 613.408 5.578 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409243119 1073094401 /nfs/dbraw/zinc/09/44/01/1073094401.db2.gz YRQGEYNBYVIMCK-YDZHTSKRSA-N 0 0 521.957 5.627 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409242938 1073095065 /nfs/dbraw/zinc/09/50/65/1073095065.db2.gz PVMVDBGWADGFNF-OEAKJJBVSA-N 0 0 579.407 5.030 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000409239493 1073114999 /nfs/dbraw/zinc/11/49/99/1073114999.db2.gz NFIKEYGLQBXJMW-WSDLNYQXSA-N 0 0 601.251 6.100 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc(F)c1 ZINC000409239007 1073116878 /nfs/dbraw/zinc/11/68/78/1073116878.db2.gz YIDFYYGQNDMFBM-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409238676 1073118443 /nfs/dbraw/zinc/11/84/43/1073118443.db2.gz BFLOSXLJKQBZJY-YDZHTSKRSA-N 0 0 628.457 5.629 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409238907 1073118465 /nfs/dbraw/zinc/11/84/65/1073118465.db2.gz MCNQCWSWRJVINC-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409251299 1073130008 /nfs/dbraw/zinc/13/00/08/1073130008.db2.gz UTQZOJOLJPRTMD-FYJGNVAPSA-N 0 0 508.328 5.029 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409250549 1073134895 /nfs/dbraw/zinc/13/48/95/1073134895.db2.gz RABOQONSISWKFU-WOJGMQOQSA-N 0 0 680.258 5.456 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409250496 1073134918 /nfs/dbraw/zinc/13/49/18/1073134918.db2.gz MNJFTTFZHWGPLA-OYKKKHCWSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409247643 1073153756 /nfs/dbraw/zinc/15/37/56/1073153756.db2.gz FBJAYLYWXVIVAS-WSDLNYQXSA-N 0 0 677.327 6.382 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409256453 1073160140 /nfs/dbraw/zinc/16/01/40/1073160140.db2.gz LHOIRUAJGYZLRH-FBHDLOMBSA-N 0 0 725.271 6.337 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409256267 1073162746 /nfs/dbraw/zinc/16/27/46/1073162746.db2.gz KOLSSORHLYUNMA-AUEPDCJTSA-N 0 0 623.512 6.758 40 5 KKBBRN CO[C@@H]1C(N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC001560411764 1073196638 /nfs/dbraw/zinc/19/66/38/1073196638.db2.gz XIWJISMBFFZEAR-DPPICBEFSA-N 0 0 569.641 6.070 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409266574 1073200604 /nfs/dbraw/zinc/20/06/04/1073200604.db2.gz PVVPEPVBRAERFY-JFLMPSFJSA-N 0 0 637.592 7.633 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc21 ZINC000409265440 1073207543 /nfs/dbraw/zinc/20/75/43/1073207543.db2.gz UXGIWLONHPEEIO-DHRITJCHSA-N 0 0 672.435 7.997 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409264917 1073208791 /nfs/dbraw/zinc/20/87/91/1073208791.db2.gz MUXREFGFBHRPMI-MYKKPKGFSA-N 0 0 666.333 7.561 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 ZINC000409262696 1073221529 /nfs/dbraw/zinc/22/15/29/1073221529.db2.gz IQDLRUXPRQCLJK-UHFFFAOYSA-N 0 0 506.234 6.484 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409260476 1073233727 /nfs/dbraw/zinc/23/37/27/1073233727.db2.gz QSQGQPKSLQBPGB-MSXFZWOLSA-N 0 0 603.030 5.252 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409259453 1073239883 /nfs/dbraw/zinc/23/98/83/1073239883.db2.gz ZQUYJGBRKIAMHA-WYMPLXKRSA-N 0 0 606.962 7.377 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409258733 1073244307 /nfs/dbraw/zinc/24/43/07/1073244307.db2.gz ZRXIEPPFTZYHCI-JFLMPSFJSA-N 0 0 633.476 7.017 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409258337 1073245496 /nfs/dbraw/zinc/24/54/96/1073245496.db2.gz WLFCZDUBUUWFQP-FMCGGJTJSA-N 0 0 713.428 7.084 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409258385 1073245872 /nfs/dbraw/zinc/24/58/72/1073245872.db2.gz TUSPVPNITLGUFT-DHRITJCHSA-N 0 0 615.586 7.096 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409257479 1073250957 /nfs/dbraw/zinc/25/09/57/1073250957.db2.gz PLIUMXNHQFDHNE-NHDPSOOVSA-N 0 0 676.401 5.584 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409272419 1073255361 /nfs/dbraw/zinc/25/53/61/1073255361.db2.gz GQVRVCQCOCNMPB-OYKKKHCWSA-N 0 0 552.992 6.145 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1C ZINC000409272446 1073255665 /nfs/dbraw/zinc/25/56/65/1073255665.db2.gz GTMIIVLPRUPXRI-QRVIBDJDSA-N 0 0 554.049 6.691 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409271652 1073261211 /nfs/dbraw/zinc/26/12/11/1073261211.db2.gz KXXWGDMIBPDJGU-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409270750 1073267642 /nfs/dbraw/zinc/26/76/42/1073267642.db2.gz ADKREQAAPCDHIJ-YDZHTSKRSA-N 0 0 538.965 5.755 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1C ZINC000409270642 1073268791 /nfs/dbraw/zinc/26/87/91/1073268791.db2.gz GPRURGWDMRPAHH-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000409270546 1073269640 /nfs/dbraw/zinc/26/96/40/1073269640.db2.gz QSYGYWDSNWLKIP-OYKKKHCWSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409270513 1073270481 /nfs/dbraw/zinc/27/04/81/1073270481.db2.gz GXELKXJULNATPL-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409270277 1073272176 /nfs/dbraw/zinc/27/21/76/1073272176.db2.gz OPDFEQDQKHZNCF-BUVRLJJBSA-N 0 0 597.049 5.730 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409269769 1073275016 /nfs/dbraw/zinc/27/50/16/1073275016.db2.gz DMVWJGSKFGRLBL-QRVIBDJDSA-N 0 0 598.431 5.620 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409269656 1073275711 /nfs/dbraw/zinc/27/57/11/1073275711.db2.gz LFMYTIGSFMNEOQ-WSDLNYQXSA-N 0 0 579.553 5.709 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409269306 1073278259 /nfs/dbraw/zinc/27/82/59/1073278259.db2.gz AZEHQFAQYXNGBR-QFEZKATASA-N 0 0 536.537 5.631 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409269037 1073280117 /nfs/dbraw/zinc/28/01/17/1073280117.db2.gz DEONHAWPADAJPO-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 ZINC000409275403 1073300158 /nfs/dbraw/zinc/30/01/58/1073300158.db2.gz JEGWRCRXZSBDCE-YNMQQHPQSA-N 0 0 606.770 5.053 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409275285 1073300616 /nfs/dbraw/zinc/30/06/16/1073300616.db2.gz TVFYNYAWTLLYRQ-YSGLVZJUSA-N 0 0 652.773 5.479 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409275204 1073301053 /nfs/dbraw/zinc/30/10/53/1073301053.db2.gz SMQYPJRKOLVANC-QRVIBDJDSA-N 0 0 554.049 6.691 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409275239 1073301356 /nfs/dbraw/zinc/30/13/56/1073301356.db2.gz ZPUPDBHCATVLRU-AFUMVMLFSA-N 0 0 527.558 6.300 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409274958 1073304709 /nfs/dbraw/zinc/30/47/09/1073304709.db2.gz RMHSDXWXHOEFPF-DHRITJCHSA-N 0 0 598.033 5.910 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)o1 ZINC000409274942 1073304761 /nfs/dbraw/zinc/30/47/61/1073304761.db2.gz RJSFJIBMIUAFNE-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409274805 1073306350 /nfs/dbraw/zinc/30/63/50/1073306350.db2.gz YEDMVDZLUVJIHI-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)cc1F ZINC000409274609 1073307596 /nfs/dbraw/zinc/30/75/96/1073307596.db2.gz DUFIUYZWJMGKIG-SSDVNMTOSA-N 0 0 525.489 5.127 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409274670 1073308252 /nfs/dbraw/zinc/30/82/52/1073308252.db2.gz FOSIWIPZUOQNOI-VXLYETTFSA-N 0 0 530.921 5.605 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274564 1073308712 /nfs/dbraw/zinc/30/87/12/1073308712.db2.gz PQKCTQIOQPDSLH-FSJBWODESA-N 0 0 587.835 6.509 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274484 1073309352 /nfs/dbraw/zinc/30/93/52/1073309352.db2.gz DNJVJNGBAOHMEK-WYMPLXKRSA-N 0 0 594.514 5.521 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274111 1073313052 /nfs/dbraw/zinc/31/30/52/1073313052.db2.gz BKHIZPZLLGZOCB-QRVIBDJDSA-N 0 0 548.577 5.473 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274106 1073313060 /nfs/dbraw/zinc/31/30/60/1073313060.db2.gz VOKGGOAWSCFNBF-FSJBWODESA-N 0 0 587.835 6.509 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409274114 1073313115 /nfs/dbraw/zinc/31/31/15/1073313115.db2.gz BKMZTLFEILEDFA-GSFJQCGGSA-N 0 0 650.801 6.204 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273884 1073315781 /nfs/dbraw/zinc/31/57/81/1073315781.db2.gz MNUZQIYTFJLYEJ-WYMPLXKRSA-N 0 0 578.559 5.596 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273827 1073316572 /nfs/dbraw/zinc/31/65/72/1073316572.db2.gz LTKJIZQSUZGPGF-FSJBWODESA-N 0 0 587.835 6.509 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273535 1073318825 /nfs/dbraw/zinc/31/88/25/1073318825.db2.gz RKQYVOMYZKBRME-QRVIBDJDSA-N 0 0 553.390 5.856 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409273267 1073334009 /nfs/dbraw/zinc/33/40/09/1073334009.db2.gz JNQQKMFFVAYDST-AFUMVMLFSA-N 0 0 563.544 5.400 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272918 1073336901 /nfs/dbraw/zinc/33/69/01/1073336901.db2.gz IBQBZTLTIVUPQX-MXAYSNPKSA-N 0 0 515.522 5.656 40 5 KKBBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4cc([N+](=O)[O-])ccc4C)sc3n2)cc1 ZINC000006246300 193877847 /nfs/dbraw/zinc/87/78/47/193877847.db2.gz DEYKGNMVNMXYBA-UHFFFAOYSA-N 0 0 529.021 7.643 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000006280804 193879901 /nfs/dbraw/zinc/87/99/01/193879901.db2.gz MEMVXPSLKAFHQK-KRWDZBQOSA-N 0 0 556.570 6.234 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280143 193878988 /nfs/dbraw/zinc/87/89/88/193878988.db2.gz PNPUGCHSAGAWLO-UHFFFAOYSA-N 0 0 513.501 5.901 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000100367816 193904116 /nfs/dbraw/zinc/90/41/16/193904116.db2.gz WVZDNBUHSHVTLD-RGFRMHDHSA-N 0 0 585.707 5.475 40 5 KKBBRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059364924 193896287 /nfs/dbraw/zinc/89/62/87/193896287.db2.gz GGAIQTRYBKBRQU-UHFFFAOYSA-N 0 0 507.622 6.104 40 5 KKBBRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000016343119 291922808 /nfs/dbraw/zinc/92/28/08/291922808.db2.gz SPJFYYJXNPEZDW-YMVLYFQPSA-O 0 0 520.668 5.544 40 5 biogenic,in-vitro KKBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3ccccc3Cl)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000877649 551554826 /nfs/dbraw/zinc/55/48/26/551554826.db2.gz ZEFGZOAGXMBFBH-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)cc1 ZINC000000925422 551578982 /nfs/dbraw/zinc/57/89/82/551578982.db2.gz WYKVGRYSNGVSCM-UHFFFAOYSA-N 0 0 539.017 5.489 40 5 KKBBRN CC(C)N(C(C)C)[P@@](=O)(O[P@@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000001555512 551684360 /nfs/dbraw/zinc/68/43/60/551684360.db2.gz QYSOTSPLJXOLFZ-BCRBLDSWSA-N 0 0 554.521 6.094 40 5 KKBBRN COC(=O)[C@@]1(c2ccc(N(C)C)cc2OC)CCCN(C(=O)Oc2ccccc2[N+](=O)[O-])CCc2c3ccccc3[nH]c21 ZINC000001647557 551687820 /nfs/dbraw/zinc/68/78/20/551687820.db2.gz QTPRLNBFMVXMKS-JGCGQSQUSA-N 0 0 586.645 5.447 40 5 KKBBRN O=C(CCCCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000001671050 551688588 /nfs/dbraw/zinc/68/85/88/551688588.db2.gz LXSFLJYZYPGXDJ-UHFFFAOYSA-N 0 0 526.112 6.188 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001848773 551715143 /nfs/dbraw/zinc/71/51/43/551715143.db2.gz ZMEJURDBZINYGU-AWEZNQCLSA-N 0 0 539.013 6.705 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(-c3cccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)nc5ccccc54)c3)n2)cc1 ZINC000002062935 551743800 /nfs/dbraw/zinc/74/38/00/551743800.db2.gz QYBDAVACGBNTTP-UHFFFAOYSA-N 0 0 576.572 8.057 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000002683562 552155928 /nfs/dbraw/zinc/15/59/28/552155928.db2.gz RGUBUFQMKLMUEY-LMSRTUJASA-N 0 0 575.668 5.077 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000002683598 552156230 /nfs/dbraw/zinc/15/62/30/552156230.db2.gz STXLDCSCNHSQNG-LMSRTUJASA-N 0 0 575.668 5.077 40 5 KKBBRN CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002747352 552174519 /nfs/dbraw/zinc/17/45/19/552174519.db2.gz ARDXMOWYIXIIND-OAQYLSRUSA-N 0 0 502.752 6.181 40 5 KKBBRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000002799040 552193389 /nfs/dbraw/zinc/19/33/89/552193389.db2.gz KKADNYKWOPGFTK-INIZCTEOSA-N 0 0 524.524 6.857 40 5 KKBBRN O=C(Oc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000003143284 552295924 /nfs/dbraw/zinc/29/59/24/552295924.db2.gz DMLBDIVBLYGDTK-UHFFFAOYSA-N 0 0 512.430 5.172 40 5 KKBBRN COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1 ZINC000003951093 552423570 /nfs/dbraw/zinc/42/35/70/552423570.db2.gz NNFUWNLENRUDHR-HKBQPEDESA-N 0 0 584.677 5.621 40 5 in-vitro KKBBRN CC1(C)O[C@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(SCc2ccccc2)SCc2ccccc2)O1 ZINC000004991057 552491318 /nfs/dbraw/zinc/49/13/18/552491318.db2.gz FHVAEXJDMFGHSI-CYXNTTPDSA-N 0 0 569.701 5.826 40 5 KKBBRN O=C(CCCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000005545219 552504609 /nfs/dbraw/zinc/50/46/09/552504609.db2.gz NNIRKFNNLLEBDO-UHFFFAOYSA-N 0 0 530.584 5.814 40 5 KKBBRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc([N+](=O)[O-])cc3)n1-c1ccc(C)cc1)CCCC2 ZINC000006089542 552532287 /nfs/dbraw/zinc/53/22/87/552532287.db2.gz RSUZRSNTIAYTJG-UHFFFAOYSA-N 0 0 577.688 5.999 40 5 KKBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000006245384 552573986 /nfs/dbraw/zinc/57/39/86/552573986.db2.gz OXKYWESSYBWUHL-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280168 552576202 /nfs/dbraw/zinc/57/62/02/552576202.db2.gz WTJZWJHGTHRHBP-UHFFFAOYSA-N 0 0 513.501 5.901 40 5 KKBBRN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)c(N)c32)cc1OC ZINC000006280824 552576675 /nfs/dbraw/zinc/57/66/75/552576675.db2.gz KOWBUALXMOFXHP-UHFFFAOYSA-N 0 0 540.601 6.699 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 ZINC000006280787 552576714 /nfs/dbraw/zinc/57/67/14/552576714.db2.gz KVOQXDQCKXAXIY-QGZVFWFLSA-N 0 0 523.018 5.869 40 5 KKBBRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2cccc(Cl)c2)c1 ZINC000006442749 552584912 /nfs/dbraw/zinc/58/49/12/552584912.db2.gz JFMPMQUVMOEWSI-KRWDZBQOSA-N 0 0 508.003 6.232 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000006474595 552592844 /nfs/dbraw/zinc/59/28/44/552592844.db2.gz TXALHGWIAPVKHL-UHFFFAOYSA-N 0 0 572.071 7.418 40 5 KKBBRN O=C(CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474817 552593204 /nfs/dbraw/zinc/59/32/04/552593204.db2.gz KJHLQEOMZIBRRH-UHFFFAOYSA-N 0 0 512.551 5.034 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000006600328 552602495 /nfs/dbraw/zinc/60/24/95/552602495.db2.gz NNWLPOUSAZPGNC-UHFFFAOYSA-N 0 0 545.042 6.448 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000006600326 552602565 /nfs/dbraw/zinc/60/25/65/552602565.db2.gz BTPYKCSJZNJMOV-UHFFFAOYSA-N 0 0 524.624 6.103 40 5 KKBBRN c1ccc([C@H](c2cccc3c4ccccc4ccc32)[C@H](c2ccccc2)c2cccc3c4ccccc4ccc32)cc1 ZINC000008034701 552983931 /nfs/dbraw/zinc/98/39/31/552983931.db2.gz RFUAXVYDNSFUAI-NCRNUEESSA-N 0 0 534.702 11.263 40 5 in-vitro KKBBRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792264 553147749 /nfs/dbraw/zinc/14/77/49/553147749.db2.gz DRHTVPKCCGBYFX-QGZVFWFLSA-N 0 0 505.530 5.175 40 5 biogenic KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000008832997 553158970 /nfs/dbraw/zinc/15/89/70/553158970.db2.gz GKKQESKMUQIBNG-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008832996 553159055 /nfs/dbraw/zinc/15/90/55/553159055.db2.gz ZTJPTYZIOUMBBD-UHFFFAOYSA-N 0 0 501.568 5.520 40 5 KKBBRN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008833159 553159536 /nfs/dbraw/zinc/15/95/36/553159536.db2.gz MQYMHDKIJUOILH-UHFFFAOYSA-N 0 0 515.595 5.692 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000008833161 553159559 /nfs/dbraw/zinc/15/95/59/553159559.db2.gz GOLIFMUFXNMLMY-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833358 553160353 /nfs/dbraw/zinc/16/03/53/553160353.db2.gz CGLYYUHCGBBLBI-UHFFFAOYSA-N 0 0 500.584 5.255 40 5 KKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008835437 553161950 /nfs/dbraw/zinc/16/19/50/553161950.db2.gz ALDQGWLWOSEPKW-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000008898546 553180131 /nfs/dbraw/zinc/18/01/31/553180131.db2.gz WVPREDSLDSUNLX-ZZXKWVIFSA-N 0 0 506.773 6.177 40 5 KKBBRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008899346 553180655 /nfs/dbraw/zinc/18/06/55/553180655.db2.gz PTILAENZWAQLML-UHFFFAOYSA-N 0 0 506.946 5.708 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008900109 553181149 /nfs/dbraw/zinc/18/11/49/553181149.db2.gz XZTIVTUWFADBHL-UHFFFAOYSA-N 0 0 507.344 6.018 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(OC)c(OC)c5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000008903927 553183225 /nfs/dbraw/zinc/18/32/25/553183225.db2.gz QDWAKQNYFBCQPH-UHFFFAOYSA-N 0 0 515.478 5.941 40 5 KKBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120237 553329949 /nfs/dbraw/zinc/32/99/49/553329949.db2.gz PVQUHDIJUYACDR-UHFFFAOYSA-N 0 0 518.526 5.281 40 5 KKBBRN O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000013400460 553458942 /nfs/dbraw/zinc/45/89/42/553458942.db2.gz VHSAVPPRAUTGIY-UHFFFAOYSA-N 0 0 513.348 5.837 40 5 KKBBRN CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5)CC4)c3)CC2)cc1 ZINC000013632997 553478712 /nfs/dbraw/zinc/47/87/12/553478712.db2.gz OCTDSPRVDLXIEX-UHFFFAOYSA-N 0 0 513.642 5.007 40 5 KKBBRN Cc1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000014411252 553516167 /nfs/dbraw/zinc/51/61/67/553516167.db2.gz IHWKHDWRWOEGQN-UHFFFAOYSA-N 0 0 501.564 5.551 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414707 553517230 /nfs/dbraw/zinc/51/72/30/553517230.db2.gz UUSNDNDQHBLQPV-UHFFFAOYSA-N 0 0 516.019 5.311 40 5 KKBBRN Cc1ccc(N2C/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000015018807 553526454 /nfs/dbraw/zinc/52/64/54/553526454.db2.gz VOOHOAIHPSJYHS-HKOYGPOVSA-N 0 0 526.662 6.424 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000015231472 553530033 /nfs/dbraw/zinc/53/00/33/553530033.db2.gz VIFKKLWURPLSEF-AREMUKBSSA-N 0 0 505.486 6.093 40 5 KKBBRN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016249829 553557833 /nfs/dbraw/zinc/55/78/33/553557833.db2.gz YYNYLFIQBLBHRD-UHFFFAOYSA-N 0 0 518.525 6.950 40 5 KKBBRN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384640 553561911 /nfs/dbraw/zinc/56/19/11/553561911.db2.gz QLCOEZDHFPMKMR-UHFFFAOYSA-N 0 0 504.317 6.098 40 5 KKBBRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccccc1[N+](=O)[O-] ZINC000016450344 553565344 /nfs/dbraw/zinc/56/53/44/553565344.db2.gz NDNXTSROCULFFM-UHFFFAOYSA-N 0 0 513.000 5.228 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016610998 553569492 /nfs/dbraw/zinc/56/94/92/553569492.db2.gz OYCHKVVXEADPAK-INIZCTEOSA-N 0 0 504.568 5.809 40 5 KKBBRN O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000072130462 553641782 /nfs/dbraw/zinc/64/17/82/553641782.db2.gz CKNHRHSELWMUNF-SANMLTNESA-N 0 0 549.580 5.030 40 5 in-vitro KKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000020412581 553647110 /nfs/dbraw/zinc/64/71/10/553647110.db2.gz QKQUCWQQELRUOZ-UHFFFAOYSA-N 0 0 510.978 5.374 40 5 KKBBRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)cc1C ZINC000020448046 553649790 /nfs/dbraw/zinc/64/97/90/553649790.db2.gz SSXFGSYNLZJBCF-UHFFFAOYSA-N 0 0 511.581 5.204 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 ZINC000020611003 553679009 /nfs/dbraw/zinc/67/90/09/553679009.db2.gz NVVVNULPONRWQZ-UHFFFAOYSA-N 0 0 503.902 5.811 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1Cl ZINC000020610846 553679036 /nfs/dbraw/zinc/67/90/36/553679036.db2.gz WBRMMWBQRFEEGY-UHFFFAOYSA-N 0 0 503.902 5.811 40 5 KKBBRN O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 ZINC000096022378 553720949 /nfs/dbraw/zinc/72/09/49/553720949.db2.gz FPHYAICONJDWSC-ARWXIEIMSA-N 0 0 541.579 5.669 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000096022815 553722785 /nfs/dbraw/zinc/72/27/85/553722785.db2.gz ZDNBRCBWQVHZMF-GWJVZLEGSA-N 0 0 629.736 8.210 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000022826670 553753063 /nfs/dbraw/zinc/75/30/63/553753063.db2.gz MLUFZMWRMJNPBL-UHFFFAOYSA-N 0 0 503.338 5.691 40 5 KKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000022826712 553753084 /nfs/dbraw/zinc/75/30/84/553753084.db2.gz YUTZHUYVYJDUJT-UHFFFAOYSA-N 0 0 503.359 5.354 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000096400878 553753938 /nfs/dbraw/zinc/75/39/38/553753938.db2.gz WMXYERPACINAMK-ATDUGNNBSA-N 0 0 518.476 6.218 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000022832095 553755490 /nfs/dbraw/zinc/75/54/90/553755490.db2.gz SWHRFCINUZAIGR-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000022837148 553757391 /nfs/dbraw/zinc/75/73/91/553757391.db2.gz DKFBLNOAHJWJJC-UHFFFAOYSA-N 0 0 513.000 6.050 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022838962 553758126 /nfs/dbraw/zinc/75/81/26/553758126.db2.gz OZEAWIINLHPQIP-SDNWHVSQSA-N 0 0 514.611 5.506 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000022842039 553758849 /nfs/dbraw/zinc/75/88/49/553758849.db2.gz QWXSTHZUWZCSKV-UHFFFAOYSA-N 0 0 517.365 6.324 40 5 KKBBRN O=C(Oc1ccccc1)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000024522761 553790848 /nfs/dbraw/zinc/79/08/48/553790848.db2.gz KPTPCDQLMIWNDH-OBGWFSINSA-N 0 0 503.514 6.507 40 5 KKBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 ZINC000027552341 553834963 /nfs/dbraw/zinc/83/49/63/553834963.db2.gz QUPDMAHOIOFEBV-UHFFFAOYSA-N 0 0 556.579 5.081 40 5 KKBBRN O=C(c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1)c1cc2ccccc2c2ccccc12 ZINC000031949752 553862296 /nfs/dbraw/zinc/86/22/96/553862296.db2.gz DPJVZCMMGQJRGC-NDEPHWFRSA-N 0 0 516.641 5.786 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032114729 553864144 /nfs/dbraw/zinc/86/41/44/553864144.db2.gz FRUCVCZLFLNHAU-UHFFFAOYSA-N 0 0 509.905 7.722 40 5 KKBBRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033727971 553970707 /nfs/dbraw/zinc/97/07/07/553970707.db2.gz FCQDVDWONHPQEB-KRWDZBQOSA-N 0 0 507.418 5.008 40 5 KKBBRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033727972 553970728 /nfs/dbraw/zinc/97/07/28/553970728.db2.gz FCQDVDWONHPQEB-QGZVFWFLSA-N 0 0 507.418 5.008 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033789418 553973843 /nfs/dbraw/zinc/97/38/43/553973843.db2.gz GZGACPWDAQPYDI-UHFFFAOYSA-N 0 0 503.380 6.019 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097983329 554008811 /nfs/dbraw/zinc/00/88/11/554008811.db2.gz OVEBLQBUPDIOPA-AGOSLVPCSA-N 0 0 560.050 7.482 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097983548 554010014 /nfs/dbraw/zinc/01/00/14/554010014.db2.gz DMGUHELCQUBQIA-QCJKNSBPSA-N 0 0 551.643 7.229 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000097983824 554011957 /nfs/dbraw/zinc/01/19/57/554011957.db2.gz UVMLGXOHJPBVFH-AMDUHLOVSA-N 0 0 558.585 6.146 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097983836 554012413 /nfs/dbraw/zinc/01/24/13/554012413.db2.gz ZELOBQMLMCXUFI-YSRPANPLSA-N 0 0 610.711 6.666 40 5 KKBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000098000104 554048427 /nfs/dbraw/zinc/04/84/27/554048427.db2.gz ODVUFQBIYPEETO-AWCRTANDSA-N 0 0 579.565 5.182 40 5 KKBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000098000208 554049316 /nfs/dbraw/zinc/04/93/16/554049316.db2.gz PWBCNOWNLUBNBZ-LSQMVHIFSA-N 0 0 582.407 5.075 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000098000308 554050315 /nfs/dbraw/zinc/05/03/15/554050315.db2.gz XFILOKFZRPTWTH-ZDCRTTOTSA-N 0 0 623.662 6.412 40 5 KKBBRN CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)CSc4nc5c(c(C(F)(F)F)n4)CCc4ccccc4-5)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000098000561 554051642 /nfs/dbraw/zinc/05/16/42/554051642.db2.gz CSOLPPKFUUZIBZ-UHFFFAOYSA-N 0 0 688.684 8.883 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000100140593 554227667 /nfs/dbraw/zinc/22/76/67/554227667.db2.gz PYRKOHRCBXARCG-UHFFFAOYSA-N 0 0 569.580 7.543 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000100141809 554228244 /nfs/dbraw/zinc/22/82/44/554228244.db2.gz SZAXMSQALCDUGZ-UHFFFAOYSA-N 0 0 528.483 7.949 40 5 KKBBRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)CCO)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100142267 554228295 /nfs/dbraw/zinc/22/82/95/554228295.db2.gz DQYKBRIKPLZPAZ-UHFFFAOYSA-N 0 0 573.446 6.114 40 5 KKBBRN CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100156197 554232785 /nfs/dbraw/zinc/23/27/85/554232785.db2.gz YKXIBQKLXLOASF-UHFFFAOYSA-N 0 0 519.735 6.118 40 5 KKBBRN c1cc2c3cccc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c%109)c1c%12%11 ZINC000100211330 554249282 /nfs/dbraw/zinc/24/92/82/554249282.db2.gz IVJZBYVRLJZOOQ-UHFFFAOYSA-N 0 0 522.606 12.152 40 5 KKBBRN Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000100239258 554260021 /nfs/dbraw/zinc/26/00/21/554260021.db2.gz IPNOEJKGVICOJE-JGLCYXNFSA-N 0 0 543.620 5.146 40 5 KKBBRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000039766157 554280534 /nfs/dbraw/zinc/28/05/34/554280534.db2.gz ZBYIFVSSQQTPHF-NTEUORMPSA-N 0 0 501.524 5.026 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000100297896 554289447 /nfs/dbraw/zinc/28/94/47/554289447.db2.gz SVUNWHDECYPARM-UHFFFAOYSA-N 0 0 537.384 6.990 40 5 KKBBRN O=C(COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100299416 554289897 /nfs/dbraw/zinc/28/98/97/554289897.db2.gz JYKCQTMKLPTMOR-UHFFFAOYSA-N 0 0 518.869 6.135 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100299849 554290299 /nfs/dbraw/zinc/29/02/99/554290299.db2.gz ISXAUZMFWBFBIC-UHFFFAOYSA-N 0 0 547.936 6.245 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000100300622 554290932 /nfs/dbraw/zinc/29/09/32/554290932.db2.gz IQDPUKGPTQOGHS-UHFFFAOYSA-N 0 0 518.885 5.470 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100306881 554295078 /nfs/dbraw/zinc/29/50/78/554295078.db2.gz SUNWIDXPBPATGC-ZSJKCPIUSA-N 0 0 578.046 5.353 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802993 554303585 /nfs/dbraw/zinc/30/35/85/554303585.db2.gz GTTUJTGXDBFTKK-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1Br ZINC000100319289 554304238 /nfs/dbraw/zinc/30/42/38/554304238.db2.gz SDCYUIXXZJUZFJ-UHFFFAOYSA-N 0 0 572.260 5.379 40 5 KKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 ZINC000100358934 554339770 /nfs/dbraw/zinc/33/97/70/554339770.db2.gz TXUJUNHSWSTBCD-UHFFFAOYSA-N 0 0 594.159 5.788 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368488 554354414 /nfs/dbraw/zinc/35/44/14/554354414.db2.gz PRIYIORYVWEZHP-MYYYXRDXSA-N 0 0 545.642 5.676 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368905 554354828 /nfs/dbraw/zinc/35/48/28/554354828.db2.gz HVPPIEDMXKBDRZ-XKZIYDEJSA-N 0 0 588.448 6.896 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369247 554355096 /nfs/dbraw/zinc/35/50/96/554355096.db2.gz UQGIUOWDGOUQDP-OYKKKHCWSA-N 0 0 533.631 6.346 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368990 554355187 /nfs/dbraw/zinc/35/51/87/554355187.db2.gz HUXBXZLEKLEZRS-AQHIEDMUSA-N 0 0 541.006 6.673 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369218 554355209 /nfs/dbraw/zinc/35/52/09/554355209.db2.gz FTOCHVCHFNDIJA-UUYOSTAYSA-N 0 0 531.442 7.598 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100370005 554355877 /nfs/dbraw/zinc/35/58/77/554355877.db2.gz AGVKAIFGPOLPTF-FMCGGJTJSA-N 0 0 554.049 6.691 40 5 KKBBRN c1ccc([C@@H](c2cccc3c4ccccc4ccc32)[C@@H](c2ccccc2)c2cccc3c4ccccc4ccc32)cc1 ZINC000057677596 554364399 /nfs/dbraw/zinc/36/43/99/554364399.db2.gz RFUAXVYDNSFUAI-COCZKOEFSA-N 0 0 534.702 11.263 40 5 in-vitro KKBBRN Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000100396396 554370265 /nfs/dbraw/zinc/37/02/65/554370265.db2.gz HXKISKSQFYIMGI-PPBFFVFISA-N 0 0 589.604 5.694 40 5 KKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331569 554389392 /nfs/dbraw/zinc/38/93/92/554389392.db2.gz VWXDGPMPZHNNFH-UHFFFAOYSA-N 0 0 516.583 5.224 40 5 KKBBRN O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1ccc(Cl)cc1Cl ZINC000059417688 554393781 /nfs/dbraw/zinc/39/37/81/554393781.db2.gz ZWXLRVOFJWMOPY-UHFFFAOYSA-N 0 0 519.431 9.281 40 5 KKBBRN O=[N+]([O-])c1ccc2nc(Sc3nnc(Cc4cccc5ccccc54)n3Cc3ccccc3)sc2c1 ZINC000059489590 554398386 /nfs/dbraw/zinc/39/83/86/554398386.db2.gz KUAOYABXZNAXMF-UHFFFAOYSA-N 0 0 509.616 6.740 40 5 KKBBRN CC(C)(C)c1ccc(OCc2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1 ZINC000059489574 554398458 /nfs/dbraw/zinc/39/84/58/554398458.db2.gz MTRNJZKZRMVJAW-UHFFFAOYSA-N 0 0 513.623 6.826 40 5 KKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)CC1 ZINC000059825781 554432191 /nfs/dbraw/zinc/43/21/91/554432191.db2.gz XCQIGLUVYWQASV-UHFFFAOYSA-N 0 0 529.018 5.364 40 5 KKBBRN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000100612766 554432682 /nfs/dbraw/zinc/43/26/82/554432682.db2.gz YDZZRBCGCUEERJ-UHFFFAOYSA-N 0 0 550.515 6.794 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000059882298 554458207 /nfs/dbraw/zinc/45/82/07/554458207.db2.gz HKUUOAWPKKVYPW-UHFFFAOYSA-N 0 0 616.677 5.383 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccc(Cl)c(Cl)c1 ZINC000059884784 554463370 /nfs/dbraw/zinc/46/33/70/554463370.db2.gz DAAFSDPDFCZKKC-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060061025 554501667 /nfs/dbraw/zinc/50/16/67/554501667.db2.gz VNSQJHUCVYXCOE-SSEXGKCCSA-N 0 0 559.644 5.321 40 5 KKBBRN O=C(Nc1ccc(C2=N/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100948012 554536397 /nfs/dbraw/zinc/53/63/97/554536397.db2.gz WCSDVMZQCXMDCY-WSVATBPTSA-N 0 0 572.169 5.112 40 5 KKBBRN O=C(Nc1ccc(C2=N/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100948020 554536509 /nfs/dbraw/zinc/53/65/09/554536509.db2.gz DGUSMQYGBMMTFP-FXBPXSCXSA-N 0 0 562.163 5.656 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)cc([N+](=O)[O-])c1C ZINC000100954383 554538642 /nfs/dbraw/zinc/53/86/42/554538642.db2.gz VWXRDJZFOBWBRX-OBDCIHEFSA-N 0 0 608.651 5.798 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000100957504 554540221 /nfs/dbraw/zinc/54/02/21/554540221.db2.gz LRIRBQPVJXKPCS-UHFFFAOYSA-N 0 0 577.416 6.454 40 5 KKBBRN COc1cc(C(=O)c2c3ccccc3c3n2c2c4cc(Br)ccc4oc2c(=O)n3C)cc(OC)c1OC ZINC000100983149 554547898 /nfs/dbraw/zinc/54/78/98/554547898.db2.gz MSRKGIZWZIWESK-UHFFFAOYSA-N 0 0 561.388 5.710 40 5 KKBBRN O=C(c1ccccc1)c1ccc(SCCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100985020 554548242 /nfs/dbraw/zinc/54/82/42/554548242.db2.gz NRDQNERLHHPPLJ-UHFFFAOYSA-N 0 0 558.637 7.240 40 5 KKBBRN CC(C)(C)c1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101117765 554643353 /nfs/dbraw/zinc/64/33/53/554643353.db2.gz DIIJGUKJVOJOLH-OBDYRVMHSA-N 0 0 543.620 5.947 40 5 KKBBRN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000101141704 554653688 /nfs/dbraw/zinc/65/36/88/554653688.db2.gz ZMFYDTYBQVHZQW-UHFFFAOYSA-N 0 0 558.462 5.411 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000101148106 554656529 /nfs/dbraw/zinc/65/65/29/554656529.db2.gz HGSLBRRVUWCDBN-UHFFFAOYSA-N 0 0 561.645 5.006 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cccc5c(Br)c([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000101148721 554656780 /nfs/dbraw/zinc/65/67/80/554656780.db2.gz NKQFHMPZYIPOET-UHFFFAOYSA-N 0 0 566.389 5.420 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000101176282 554664201 /nfs/dbraw/zinc/66/42/01/554664201.db2.gz XPVKFGFAWTVPEG-DSITVLBTSA-N 0 0 534.355 6.106 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000101213100 554680539 /nfs/dbraw/zinc/68/05/39/554680539.db2.gz FVWZUVLOVQAJFF-SMIHKQSGSA-N 0 0 507.930 5.088 40 5 KKBBRN CC(/C=C/C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000101397769 554758904 /nfs/dbraw/zinc/75/89/04/554758904.db2.gz JKQXZKUSFCKOGQ-XIVPEYIBSA-N 0 0 568.886 10.547 40 5 KKBBRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000101653627 554817822 /nfs/dbraw/zinc/81/78/22/554817822.db2.gz LCHFACNAJNHLNB-UHFFFAOYSA-N 0 0 583.485 7.676 40 5 biogenic,in-vitro KKBBRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1OC1CCCCC1 ZINC000101658607 554820521 /nfs/dbraw/zinc/82/05/21/554820521.db2.gz YQCYNCRLCNRBQP-UHFFFAOYSA-N 0 0 522.467 7.075 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000101663506 554822061 /nfs/dbraw/zinc/82/20/61/554822061.db2.gz GJNBEIGSWICHFW-UHFFFAOYSA-N 0 0 542.512 7.313 40 5 KKBBRN CCc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 ZINC000101666847 554822609 /nfs/dbraw/zinc/82/26/09/554822609.db2.gz YLQLQPNUXPWATQ-UHFFFAOYSA-N 0 0 609.780 7.147 40 5 KKBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101670621 554824019 /nfs/dbraw/zinc/82/40/19/554824019.db2.gz NYRYWQSYAOLPJN-FUDKSRODSA-N 0 0 588.798 5.166 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370369 554916155 /nfs/dbraw/zinc/91/61/55/554916155.db2.gz NNMUSNAJXQOONC-XMFJDCMESA-N 0 0 599.643 6.364 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370337 554916288 /nfs/dbraw/zinc/91/62/88/554916288.db2.gz OSKNEXCNOWJMKO-XMFJDCMESA-N 0 0 599.643 6.364 40 5 KKBBRN Cc1nn(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000102407505 554922049 /nfs/dbraw/zinc/92/20/49/554922049.db2.gz FTKYUXZCEXLMRX-NRFANRHFSA-N 0 0 575.478 5.136 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102555180 554964029 /nfs/dbraw/zinc/96/40/29/554964029.db2.gz LEVZZQYMTBONFN-PVHODMMVSA-N 0 0 569.957 5.519 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000102572843 554971064 /nfs/dbraw/zinc/97/10/64/554971064.db2.gz MPZOSKBBYXZCJU-FIRIVFDPSA-N 0 0 535.604 5.744 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccccc2Cl)cc1 ZINC000102581342 554972570 /nfs/dbraw/zinc/97/25/70/554972570.db2.gz XREUQCQYMZJZSA-UHFFFAOYSA-N 0 0 523.770 5.643 40 5 KKBBRN Cc1ccc(N2C(=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102609690 554980735 /nfs/dbraw/zinc/98/07/35/554980735.db2.gz XZAZIBRNSBYXEZ-SMCANUKXSA-N 0 0 593.481 7.699 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000102628820 554988765 /nfs/dbraw/zinc/98/87/65/554988765.db2.gz QOAQWZIMVOGESK-UHFFFAOYSA-N 0 0 530.558 5.467 40 5 KKBBRN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2 ZINC000102739777 555028565 /nfs/dbraw/zinc/02/85/65/555028565.db2.gz JWHXOMINVDSPGA-ULNSLHSMSA-N 0 0 539.418 7.351 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000102748479 555042516 /nfs/dbraw/zinc/04/25/16/555042516.db2.gz VFDJNELIPCLBFQ-SDHSZQHLSA-N 0 0 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571400836 /nfs/dbraw/zinc/40/08/36/571400836.db2.gz QEOJNCJRISUISI-UHFFFAOYSA-N 0 0 576.698 5.173 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105318666 571401051 /nfs/dbraw/zinc/40/10/51/571401051.db2.gz QNOABNOGTUEMCA-UHFFFAOYSA-N 0 0 617.556 6.004 40 5 KKBBRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000105319220 571401372 /nfs/dbraw/zinc/40/13/72/571401372.db2.gz DRBZVXIAWBWKBB-UHFFFAOYSA-N 0 0 567.646 7.302 40 5 KKBBRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105321580 571402681 /nfs/dbraw/zinc/40/26/81/571402681.db2.gz RAAWWNPHUVZTRI-UHFFFAOYSA-N 0 0 534.016 5.063 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105322128 571402825 /nfs/dbraw/zinc/40/28/25/571402825.db2.gz YOURUQKCADBFJR-UHFFFAOYSA-N 0 0 536.997 5.784 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105322216 571402968 /nfs/dbraw/zinc/40/29/68/571402968.db2.gz VRIMRDQVRXFYPG-UHFFFAOYSA-N 0 0 554.072 5.515 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105322872 571403184 /nfs/dbraw/zinc/40/31/84/571403184.db2.gz QLKRNDJPJMAPNO-UHFFFAOYSA-N 0 0 592.908 6.783 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105322856 571403249 /nfs/dbraw/zinc/40/32/49/571403249.db2.gz GEALBCXFOCWROL-UHFFFAOYSA-N 0 0 611.955 5.359 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222833708 571403618 /nfs/dbraw/zinc/40/36/18/571403618.db2.gz JYCGLSVXRRPBDT-HHHXNRCGSA-N 0 0 598.563 6.003 40 5 KKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1Cl ZINC000105355284 571404275 /nfs/dbraw/zinc/40/42/75/571404275.db2.gz YMILAEBETROHGH-UHFFFAOYSA-N 0 0 560.101 5.718 40 5 KKBBRN CC(c1ccccc1)(c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000105439282 571404791 /nfs/dbraw/zinc/40/47/91/571404791.db2.gz JHSYCEKIDFWVNP-UHFFFAOYSA-N 0 0 586.604 7.362 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498334 571405765 /nfs/dbraw/zinc/40/57/65/571405765.db2.gz FDLKFUQSDVEEMG-ZSJKCPIUSA-N 0 0 621.027 5.060 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499002 571405932 /nfs/dbraw/zinc/40/59/32/571405932.db2.gz KFIYTMZWRZIPMW-PNZYDNNZSA-N 0 0 596.086 5.342 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499204 571406122 /nfs/dbraw/zinc/40/61/22/571406122.db2.gz QSJDUGYFUGRDBU-ASZNLBCTSA-N 0 0 601.706 5.007 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222864518 571407260 /nfs/dbraw/zinc/40/72/60/571407260.db2.gz WNASSZDRAPZPOS-AREMUKBSSA-N 0 0 598.494 5.157 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000105523149 571407321 /nfs/dbraw/zinc/40/73/21/571407321.db2.gz JVOIOYHPRMNVFJ-JMIUGGIZSA-N 0 0 515.906 5.820 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222874163 571408377 /nfs/dbraw/zinc/40/83/77/571408377.db2.gz IZFZQXYQPHCXEP-SANMLTNESA-N 0 0 542.463 5.856 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222890617 571410069 /nfs/dbraw/zinc/41/00/69/571410069.db2.gz BPQFTIYSDGOVRN-XIFFEERXSA-N 0 0 776.139 7.480 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000106331685 571411868 /nfs/dbraw/zinc/41/18/68/571411868.db2.gz SYASKPCZDOTIHU-ZSJKCPIUSA-N 0 0 594.045 5.017 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000106332411 571411929 /nfs/dbraw/zinc/41/19/29/571411929.db2.gz PLBXCZMVTVKDJQ-XBXARRHUSA-N 0 0 540.325 6.542 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000106551303 571412888 /nfs/dbraw/zinc/41/28/88/571412888.db2.gz RAGIMBOSHGQPCF-UHFFFAOYSA-N 0 0 604.088 5.906 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222919039 571413112 /nfs/dbraw/zinc/41/31/12/571413112.db2.gz XDIIFXXDWFJYOJ-JGCGQSQUSA-N 0 0 697.641 6.509 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106680696 571413356 /nfs/dbraw/zinc/41/33/56/571413356.db2.gz FEBIUYDKWPTVDM-UUYOSTAYSA-N 0 0 507.480 5.540 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222924026 571413485 /nfs/dbraw/zinc/41/34/85/571413485.db2.gz LYEQDRJSLIENHT-IBGZPJMESA-N 0 0 700.041 6.399 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106686399 571413781 /nfs/dbraw/zinc/41/37/81/571413781.db2.gz MDKAKHAAQLGCJJ-MTJSOVHGSA-N 0 0 511.943 6.071 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106688436 571413909 /nfs/dbraw/zinc/41/39/09/571413909.db2.gz UXLXFIFWXMBGJD-UUYOSTAYSA-N 0 0 544.994 5.561 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222929273 571414126 /nfs/dbraw/zinc/41/41/26/571414126.db2.gz ZIDXNLALKVZXMF-MHZLTWQESA-N 0 0 635.570 5.080 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106701408 571414551 /nfs/dbraw/zinc/41/45/51/571414551.db2.gz PXTUZJJMLVVJKR-NHDPSOOVSA-N 0 0 595.438 5.914 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000106702588 571414582 /nfs/dbraw/zinc/41/45/82/571414582.db2.gz VPLGUVMNVKASGG-JJFYIABZSA-N 0 0 570.377 6.603 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106701996 571414605 /nfs/dbraw/zinc/41/46/05/571414605.db2.gz IZZCBJACJIJKNA-FMCGGJTJSA-N 0 0 521.507 5.849 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106716191 571415551 /nfs/dbraw/zinc/41/55/51/571415551.db2.gz HDFLTRZHAATWOY-KSEXSDGBSA-N 0 0 588.425 6.164 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106717647 571415610 /nfs/dbraw/zinc/41/56/10/571415610.db2.gz KSVUASRZXQGNCX-JJFYIABZSA-N 0 0 579.439 6.214 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1 ZINC000106722022 571415917 /nfs/dbraw/zinc/41/59/17/571415917.db2.gz OCSMFZDMYUXHPT-OYKKKHCWSA-N 0 0 508.527 5.948 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc(C)c1 ZINC000106728687 571416573 /nfs/dbraw/zinc/41/65/73/571416573.db2.gz WLKCWQPETDAXDT-MYYYXRDXSA-N 0 0 504.564 6.117 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106730816 571416588 /nfs/dbraw/zinc/41/65/88/571416588.db2.gz QJWCVEDVSSVDFP-FMCGGJTJSA-N 0 0 598.431 5.620 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106735124 571416732 /nfs/dbraw/zinc/41/67/32/571416732.db2.gz QHPKDEUREKHENW-NHDPSOOVSA-N 0 0 578.983 5.400 40 5 KKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(I)cc1 ZINC000106738086 571416917 /nfs/dbraw/zinc/41/69/17/571416917.db2.gz IZKHKDOYHOUGHV-NVNXTCNLSA-N 0 0 500.701 5.089 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739359 571417060 /nfs/dbraw/zinc/41/70/60/571417060.db2.gz ZSPCVIXBYNAUNI-UUYOSTAYSA-N 0 0 570.377 6.081 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000106739411 571417068 /nfs/dbraw/zinc/41/70/68/571417068.db2.gz BHLJQJOAUTXKGH-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222958551 571417319 /nfs/dbraw/zinc/41/73/19/571417319.db2.gz CEFPZVBRKLZPGK-YTTGMZPUSA-N 0 0 697.641 6.509 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000106745815 571417409 /nfs/dbraw/zinc/41/74/09/571417409.db2.gz OKZFTELFZOZGPN-QRVIBDJDSA-N 0 0 549.517 5.357 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000106745588 571417425 /nfs/dbraw/zinc/41/74/25/571417425.db2.gz KRTUHYKYRVEHCN-XYGWBWBKSA-N 0 0 576.608 5.761 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222992995 571420021 /nfs/dbraw/zinc/42/00/21/571420021.db2.gz CUQMXBNVMXZSMW-MUUNZHRXSA-N 0 0 549.693 5.249 40 5 KKBBRN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107831114 571421279 /nfs/dbraw/zinc/42/12/79/571421279.db2.gz AHAVQUZMJYZCLW-UHFFFAOYSA-N 0 0 541.541 5.764 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1 ZINC000107870677 571421566 /nfs/dbraw/zinc/42/15/66/571421566.db2.gz LUIFMSNOFRNTJA-UHFFFAOYSA-N 0 0 500.536 5.542 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108071402 571422196 /nfs/dbraw/zinc/42/21/96/571422196.db2.gz DDDZFLVHBYIQPN-JLHYYAGUSA-N 0 0 521.017 5.861 40 5 KKBBRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000108102454 571422316 /nfs/dbraw/zinc/42/23/16/571422316.db2.gz PAJMJLZYGDJZNI-UHFFFAOYSA-N 0 0 542.577 5.423 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000108304946 571423038 /nfs/dbraw/zinc/42/30/38/571423038.db2.gz 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ZINC000164185169 571544602 /nfs/dbraw/zinc/54/46/02/571544602.db2.gz HAZQVSRHRQNKFP-IMUCPKNRSA-N 0 0 643.718 5.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000164191023 571544854 /nfs/dbraw/zinc/54/48/54/571544854.db2.gz SKKMYZFJDHJYBW-OKMHPQNISA-N 0 0 704.714 5.213 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224435486 571545367 /nfs/dbraw/zinc/54/53/67/571545367.db2.gz WWXXQCPHVSGTKW-YTTGMZPUSA-N 0 0 772.118 6.689 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223803451 571547323 /nfs/dbraw/zinc/54/73/23/571547323.db2.gz BMOHPWSHNKHVCV-MHZLTWQESA-N 0 0 601.125 5.167 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223803431 571547334 /nfs/dbraw/zinc/54/73/34/571547334.db2.gz VNYCOJXXTIDEKW-FQRUVTKNSA-N 0 0 598.494 5.300 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164460875 571548148 /nfs/dbraw/zinc/54/81/48/571548148.db2.gz JOIBUOMMWBKBRF-UHFFFAOYSA-N 0 0 631.580 7.283 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223804424 571548261 /nfs/dbraw/zinc/54/82/61/571548261.db2.gz NAUIUZMDCZFBNJ-QHCPKHFHSA-N 0 0 657.189 5.545 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164512785 571549044 /nfs/dbraw/zinc/54/90/44/571549044.db2.gz NQHDVTQYGBCMML-URFJJRPFSA-N 0 0 648.653 5.544 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000164513150 571549046 /nfs/dbraw/zinc/54/90/46/571549046.db2.gz NFRFNYPPJNTGOQ-SVXDAGRPSA-N 0 0 648.653 5.544 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164524653 571549229 /nfs/dbraw/zinc/54/92/29/571549229.db2.gz LOVZBKQKAYLADF-POKSHJSXSA-N 0 0 775.475 6.948 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164541101 571549634 /nfs/dbraw/zinc/54/96/34/571549634.db2.gz OEJADULQMMSENQ-OTHIGLTOSA-N 0 0 677.735 5.440 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223806459 571549672 /nfs/dbraw/zinc/54/96/72/571549672.db2.gz KADUPTNJJXJHPP-NLGDKJDOSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164542378 571549696 /nfs/dbraw/zinc/54/96/96/571549696.db2.gz ZVSCMHZPSDVBHJ-VZVSMJQGSA-N 0 0 691.762 5.830 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224454829 571549752 /nfs/dbraw/zinc/54/97/52/571549752.db2.gz VSDBLOYWNLVNGL-AREMUKBSSA-N 0 0 651.569 5.357 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224458690 571550608 /nfs/dbraw/zinc/55/06/08/571550608.db2.gz CNBPHWBFQNSLDT-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000164763198 571550909 /nfs/dbraw/zinc/55/09/09/571550909.db2.gz GCLSJQRRAKXSBH-UHFFFAOYSA-N 0 0 671.851 7.867 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000164763773 571550916 /nfs/dbraw/zinc/55/09/16/571550916.db2.gz SGLRWOIMEQKGLC-UHFFFAOYSA-N 0 0 624.773 7.534 40 5 KKBBRN CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1 ZINC000164764152 571550968 /nfs/dbraw/zinc/55/09/68/571550968.db2.gz ZFIMUCZDXFMMOD-UHFFFAOYSA-N 0 0 696.880 8.685 40 5 KKBBRN COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164807728 571551253 /nfs/dbraw/zinc/55/12/53/571551253.db2.gz GGVQCBVYHBRSEF-UHFFFAOYSA-N 0 0 630.495 5.961 40 5 KKBBRN CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164808548 571551324 /nfs/dbraw/zinc/55/13/24/571551324.db2.gz XGWBSWSHTBOJSX-UHFFFAOYSA-N 0 0 691.522 6.193 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000169358746 571553417 /nfs/dbraw/zinc/55/34/17/571553417.db2.gz BIIYWHLOULXKJD-NQCYILGJSA-N 0 0 662.698 6.801 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000169617596 571553864 /nfs/dbraw/zinc/55/38/64/571553864.db2.gz NEGYDRVBLVYRCR-NQCYILGJSA-N 0 0 741.594 7.563 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223821683 571556192 /nfs/dbraw/zinc/55/61/92/571556192.db2.gz AEWBDIOALSDRMP-CAQRMWTPSA-N 0 0 776.139 7.622 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 ZINC000169682338 571557907 /nfs/dbraw/zinc/55/79/07/571557907.db2.gz YDBRFTUWPFMXJZ-NQCYILGJSA-N 0 0 697.143 7.454 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224489790 571558565 /nfs/dbraw/zinc/55/85/65/571558565.db2.gz DQACUDNJKFTCNT-VWLOTQADSA-N 0 0 574.461 5.455 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224492161 571559158 /nfs/dbraw/zinc/55/91/58/571559158.db2.gz PDYMWCGBZVGGJI-AREMUKBSSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223837325 571559239 /nfs/dbraw/zinc/55/92/39/571559239.db2.gz QJHQGXXDTXDTCN-IZZNHLLZSA-N 0 0 516.579 5.834 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224496285 571560239 /nfs/dbraw/zinc/56/02/39/571560239.db2.gz SQXDPYBISUKLSM-WJOKGBTCSA-N 0 0 707.647 6.107 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224498242 571560765 /nfs/dbraw/zinc/56/07/65/571560765.db2.gz RDWSFDCKTBMNKX-XMMPIXPASA-N 0 0 686.014 6.011 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224503226 571561998 /nfs/dbraw/zinc/56/19/98/571561998.db2.gz OPIBWHDBPDIPPW-XIFFEERXSA-N 0 0 751.700 6.424 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223857146 571562726 /nfs/dbraw/zinc/56/27/26/571562726.db2.gz GYSZYGSCGBXMPJ-AFMDSPMNSA-N 0 0 542.463 5.999 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224510593 571563498 /nfs/dbraw/zinc/56/34/98/571563498.db2.gz HTFPXSZPXAGEMM-MHZLTWQESA-N 0 0 726.079 6.934 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 ZINC000224516992 571564531 /nfs/dbraw/zinc/56/45/31/571564531.db2.gz RIVKPMNFSGWKSG-PKTZIBPZSA-N 0 0 521.396 6.189 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224523975 571566108 /nfs/dbraw/zinc/56/61/08/571566108.db2.gz DVNUIWJVTJVSGF-RUZDIDTESA-N 0 0 542.463 5.999 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198316658 571567600 /nfs/dbraw/zinc/56/76/00/571567600.db2.gz LHNDDELVGBWRIU-UHFFFAOYSA-N 0 0 713.112 6.219 40 5 KKBBRN CCOC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000199635194 571569014 /nfs/dbraw/zinc/56/90/14/571569014.db2.gz BJGIPEJDLISXLF-UHFFFAOYSA-N 0 0 509.484 6.629 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224537272 571569245 /nfs/dbraw/zinc/56/92/45/571569245.db2.gz PCGAQEJZZFUHBD-YTTGMZPUSA-N 0 0 776.139 7.622 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224537164 571569287 /nfs/dbraw/zinc/56/92/87/571569287.db2.gz XGARJWGFNRZSIH-AREMUKBSSA-N 0 0 645.178 5.340 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223893546 571569613 /nfs/dbraw/zinc/56/96/13/571569613.db2.gz GPBZNPHQCCPITC-FQEVSTJZSA-N 0 0 526.417 5.013 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000205685621 571569874 /nfs/dbraw/zinc/56/98/74/571569874.db2.gz WVDLVEBLCZJTKA-ZVBGSRNCSA-N 0 0 529.889 6.324 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205748092 571570476 /nfs/dbraw/zinc/57/04/76/571570476.db2.gz QSOCPMGQBVUFPJ-YDZHTSKRSA-N 0 0 742.329 7.018 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000205764383 571570855 /nfs/dbraw/zinc/57/08/55/571570855.db2.gz XPTMZOAJOGJFGX-GIJQJNRQSA-N 0 0 510.446 5.394 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000205814943 571571620 /nfs/dbraw/zinc/57/16/20/571571620.db2.gz WBQJAVQPTLPXBJ-ZVHZXABRSA-N 0 0 616.433 6.414 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205817282 571571718 /nfs/dbraw/zinc/57/17/18/571571718.db2.gz VAZVYOJRIXVZLF-CIAFOILYSA-N 0 0 565.526 5.463 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000205871816 571571833 /nfs/dbraw/zinc/57/18/33/571571833.db2.gz DPXWAKQLYMIFLE-YBFXNURJSA-N 0 0 521.473 5.065 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224558899 571574319 /nfs/dbraw/zinc/57/43/19/571574319.db2.gz NJSSHKSSEZPMEZ-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN O=C(Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 ZINC000210091649 571575493 /nfs/dbraw/zinc/57/54/93/571575493.db2.gz QWGIYXBLCMVMOG-KETYRHGDSA-N 0 0 694.769 8.737 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c(C)c1 ZINC000211057104 571576141 /nfs/dbraw/zinc/57/61/41/571576141.db2.gz HTPFAGFAWPJTFI-ZXVVBBHZSA-N 0 0 527.602 6.192 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211064861 571576160 /nfs/dbraw/zinc/57/61/60/571576160.db2.gz ZIBTXUXSWMRDGE-NLRVBDNBSA-N 0 0 578.444 6.337 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl ZINC000214075102 571577407 /nfs/dbraw/zinc/57/74/07/571577407.db2.gz JIBDDIYFZRBUMS-UFFVCSGVSA-N 0 0 613.795 8.058 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214118525 571577689 /nfs/dbraw/zinc/57/76/89/571577689.db2.gz IBJXQMLQPHYZEV-SSDVNMTOSA-N 0 0 564.925 7.304 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214334698 571578564 /nfs/dbraw/zinc/57/85/64/571578564.db2.gz CTHWTSZNNYKQME-FOKLQQMPSA-N 0 0 573.396 6.321 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214483239 571579388 /nfs/dbraw/zinc/57/93/88/571579388.db2.gz RYGKHGIVSDFINS-OEAKJJBVSA-N 0 0 659.458 5.852 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214569223 571579562 /nfs/dbraw/zinc/57/95/62/571579562.db2.gz UOQPMQKIQFLZAF-MFKUBSTISA-N 0 0 504.564 6.117 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223939434 571579610 /nfs/dbraw/zinc/57/96/10/571579610.db2.gz KGVLEDDVDANZSF-RBTNQOKQSA-N 0 0 649.597 5.531 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214624948 571579854 /nfs/dbraw/zinc/57/98/54/571579854.db2.gz AENQVEWQUDTXON-WYMPLXKRSA-N 0 0 569.433 6.490 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214702995 571580587 /nfs/dbraw/zinc/58/05/87/571580587.db2.gz PLTRSGQHBDAXIA-FOKLQQMPSA-N 0 0 590.397 7.237 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214771000 571580809 /nfs/dbraw/zinc/58/08/09/571580809.db2.gz BEIWCGHJJDPGBS-UFFVCSGVSA-N 0 0 569.344 7.949 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214770391 571580861 /nfs/dbraw/zinc/58/08/61/571580861.db2.gz FWEBRKCEIDRAKX-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214786029 571580937 /nfs/dbraw/zinc/58/09/37/571580937.db2.gz JVFQJCSWIOVYPU-UFFVCSGVSA-N 0 0 546.344 6.839 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214817095 571581289 /nfs/dbraw/zinc/58/12/89/571581289.db2.gz SIMFQKCKARLSQP-FSJBWODESA-N 0 0 638.323 7.878 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214848990 571581399 /nfs/dbraw/zinc/58/13/99/571581399.db2.gz IJBICMLFUJSZNL-LSHDLFTRSA-N 0 0 599.370 7.958 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214928018 571581872 /nfs/dbraw/zinc/58/18/72/571581872.db2.gz KQGXDKXKISFPBV-FSJBWODESA-N 0 0 623.403 7.804 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214923531 571581890 /nfs/dbraw/zinc/58/18/90/571581890.db2.gz GFUZQEVDEDHFJL-SRZZPIQSSA-N 0 0 513.369 6.471 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214941342 571581907 /nfs/dbraw/zinc/58/19/07/571581907.db2.gz DPJMHUBHSXUMGC-FSJBWODESA-N 0 0 555.406 6.181 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214977590 571582170 /nfs/dbraw/zinc/58/21/70/571582170.db2.gz NUXODEUMBRBBDX-FSJBWODESA-N 0 0 555.406 6.181 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1Br ZINC000214995803 571582305 /nfs/dbraw/zinc/58/23/05/571582305.db2.gz FHBHIIVGRDJIOL-UFFVCSGVSA-N 0 0 658.246 8.167 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215008455 571582527 /nfs/dbraw/zinc/58/25/27/571582527.db2.gz MQIUKVWHHJZMJZ-FSJBWODESA-N 0 0 589.504 6.949 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215011241 571582531 /nfs/dbraw/zinc/58/25/31/571582531.db2.gz VCXRQEJHAINCFS-SRZZPIQSSA-N 0 0 522.451 5.440 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215025071 571582574 /nfs/dbraw/zinc/58/25/74/571582574.db2.gz GQLZUXAZYKJULQ-ZVHZXABRSA-N 0 0 535.534 5.717 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223953093 571582645 /nfs/dbraw/zinc/58/26/45/571582645.db2.gz UYOAUCRLHICODP-NIYFSFCBSA-N 0 0 588.488 5.844 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223953231 571582695 /nfs/dbraw/zinc/58/26/95/571582695.db2.gz UYOAUCRLHICODP-SIBVEZHUSA-N 0 0 588.488 5.844 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223953676 571582794 /nfs/dbraw/zinc/58/27/94/571582794.db2.gz KJSYQTLINWXVHX-NSOVKSMOSA-N 0 0 557.632 5.272 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215098913 571583015 /nfs/dbraw/zinc/58/30/15/571583015.db2.gz JQWVZRWWWZOGRP-SSDVNMTOSA-N 0 0 609.376 7.414 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215137740 571583264 /nfs/dbraw/zinc/58/32/64/571583264.db2.gz ANQMQBHOQHLOOK-DJKKODMXSA-N 0 0 537.750 6.646 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215176804 571583609 /nfs/dbraw/zinc/58/36/09/571583609.db2.gz WRUHMONMSJFRRA-UFFVCSGVSA-N 0 0 559.915 6.333 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215194043 571583617 /nfs/dbraw/zinc/58/36/17/571583617.db2.gz FZYGPCYNYZIDGB-IFRROFPPSA-N 0 0 519.318 6.127 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224600233 571583788 /nfs/dbraw/zinc/58/37/88/571583788.db2.gz LMLAOTXRSKWNGF-YTTGMZPUSA-N 0 0 776.139 7.622 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c([N+](=O)[O-])c1 ZINC000215216546 571583919 /nfs/dbraw/zinc/58/39/19/571583919.db2.gz KSAALRXEQRQKGN-ODCIPOBUSA-N 0 0 514.899 5.482 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215214444 571583986 /nfs/dbraw/zinc/58/39/86/571583986.db2.gz CWSCKXDVXXSMLN-ZVHZXABRSA-N 0 0 616.433 6.414 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215235998 571584296 /nfs/dbraw/zinc/58/42/96/571584296.db2.gz ASOZPAMNFCBUSM-SSDVNMTOSA-N 0 0 656.376 7.256 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000215246981 571584312 /nfs/dbraw/zinc/58/43/12/571584312.db2.gz CCBGIFQGNSQTCP-FSJBWODESA-N 0 0 521.507 5.327 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224613224 571586679 /nfs/dbraw/zinc/58/66/79/571586679.db2.gz LWQQJDDXQVHHTK-MHZLTWQESA-N 0 0 659.205 5.649 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215917188 571587501 /nfs/dbraw/zinc/58/75/01/571587501.db2.gz RTNBNZLZNINLFT-LJQANCHMSA-N 0 0 546.045 5.255 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215917141 571587519 /nfs/dbraw/zinc/58/75/19/571587519.db2.gz RTNBNZLZNINLFT-IBGZPJMESA-N 0 0 546.045 5.255 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224617694 571587918 /nfs/dbraw/zinc/58/79/18/571587918.db2.gz WTLBTWZWEPLMND-MHZLTWQESA-N 0 0 549.693 5.391 40 5 KKBBRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000215936110 571588676 /nfs/dbraw/zinc/58/86/76/571588676.db2.gz ZREGVEANDOPLBZ-JOCHJYFZSA-N 0 0 546.045 5.336 40 5 KKBBRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000215966933 571589851 /nfs/dbraw/zinc/58/98/51/571589851.db2.gz MTBNXEKLIDOJEA-JOCHJYFZSA-N 0 0 562.044 5.037 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223992835 571590984 /nfs/dbraw/zinc/59/09/84/571590984.db2.gz QQQFQXGVFRORRG-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 ZINC000223994165 571591245 /nfs/dbraw/zinc/59/12/45/571591245.db2.gz WODVRCSOQNNLPJ-UIOOFZCWSA-N 0 0 529.578 5.394 40 5 KKBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccc(Br)cc1 ZINC000216026581 571592043 /nfs/dbraw/zinc/59/20/43/571592043.db2.gz SXVMYHIOVKQCQY-UHFFFAOYSA-N 0 0 526.210 5.373 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Br)cc1 ZINC000216028848 571592350 /nfs/dbraw/zinc/59/23/50/571592350.db2.gz OABKYTNEHKQMDM-UHFFFAOYSA-N 0 0 531.219 5.673 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224647878 571594377 /nfs/dbraw/zinc/59/43/77/571594377.db2.gz GEWVRSWGOBTPDO-VMPREFPWSA-N 0 0 533.613 6.750 40 5 KKBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000216342381 571595085 /nfs/dbraw/zinc/59/50/85/571595085.db2.gz JDPQVQFBWFMLMM-UHFFFAOYSA-N 0 0 549.936 5.010 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000224656643 571596892 /nfs/dbraw/zinc/59/68/92/571596892.db2.gz CLCXURXJMHDUGY-WDYNHAJCSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224024628 571597243 /nfs/dbraw/zinc/59/72/43/571597243.db2.gz PWRDEAWFNBFYKV-HHHXNRCGSA-N 0 0 519.667 5.303 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224031278 571598497 /nfs/dbraw/zinc/59/84/97/571598497.db2.gz PFGWYVLCXICFDX-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224681799 571602513 /nfs/dbraw/zinc/60/25/13/571602513.db2.gz RXUPJFXWOINTIK-XZWHSSHBSA-N 0 0 547.640 7.058 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224682715 571602918 /nfs/dbraw/zinc/60/29/18/571602918.db2.gz LVEDLIVPTBATBR-NDEPHWFRSA-N 0 0 645.178 5.340 40 5 KKBBRN O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)CC1)OCc1ccccc1 ZINC000217973649 571603016 /nfs/dbraw/zinc/60/30/16/571603016.db2.gz RMEBKYQIPRYOEN-UHGJSFDGSA-N 0 0 556.571 6.006 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224055530 571603127 /nfs/dbraw/zinc/60/31/27/571603127.db2.gz WKDDARYJAQJGTL-HHHXNRCGSA-N 0 0 659.205 5.527 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224690982 571605203 /nfs/dbraw/zinc/60/52/03/571605203.db2.gz NGSNKJBWVYTDFX-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224065751 571605403 /nfs/dbraw/zinc/60/54/03/571605403.db2.gz UNZGAGUMLIMTJJ-UIOOFZCWSA-N 0 0 550.040 5.636 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224715705 571609119 /nfs/dbraw/zinc/60/91/19/571609119.db2.gz WHLWIYRUTBUBAX-IHLOFXLRSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224718160 571609630 /nfs/dbraw/zinc/60/96/30/571609630.db2.gz KBQQACKXWMAYAU-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224739359 571612632 /nfs/dbraw/zinc/61/26/32/571612632.db2.gz VIGIZLNYUDPFBJ-NRFANRHFSA-N 0 0 643.560 5.029 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224750184 571613700 /nfs/dbraw/zinc/61/37/00/571613700.db2.gz SXMLNXLPFAWDGH-XZWHSSHBSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224752740 571613984 /nfs/dbraw/zinc/61/39/84/571613984.db2.gz UOYBPFYHNDGFDD-XZWHSSHBSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224759405 571614556 /nfs/dbraw/zinc/61/45/56/571614556.db2.gz LUKMPIOVCYZLGW-KYJUHHDHSA-N 0 0 564.623 7.228 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(Br)cs3)cc2)cc1 ZINC000224761601 571614720 /nfs/dbraw/zinc/61/47/20/571614720.db2.gz UVTDAXJQEUTRPZ-PKTZIBPZSA-N 0 0 569.531 7.142 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccnc3)cc2)cc1 ZINC000224762240 571614777 /nfs/dbraw/zinc/61/47/77/571614777.db2.gz SJPGECIBOJDVIU-WUFINQPMSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 ZINC000224765908 571615083 /nfs/dbraw/zinc/61/50/83/571615083.db2.gz HASQYPPCVWUYBP-VSGBNLITSA-N 0 0 541.702 7.071 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 ZINC000224765765 571615110 /nfs/dbraw/zinc/61/51/10/571615110.db2.gz OFROSRORVPGRAW-SXOMAYOGSA-N 0 0 568.688 5.639 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 ZINC000224766099 571615126 /nfs/dbraw/zinc/61/51/26/571615126.db2.gz JAKTZBHNBFRLRF-LOYHVIPDSA-N 0 0 581.723 7.378 40 5 KKBBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C ZINC000224767698 571615228 /nfs/dbraw/zinc/61/52/28/571615228.db2.gz UPQALUGRDCZVHM-RPBOFIJWSA-N 0 0 501.637 5.965 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3Cc3cccnc3)cc2)cc1 ZINC000224767502 571615229 /nfs/dbraw/zinc/61/52/29/571615229.db2.gz ZDROJWUGFQZLJY-WDYNHAJCSA-N 0 0 564.696 6.563 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C3CCCC3)cc2)cc1 ZINC000224768759 571615320 /nfs/dbraw/zinc/61/53/20/571615320.db2.gz NTHAMOHOLYZZSI-WUFINQPMSA-N 0 0 541.702 7.235 40 5 KKBBRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224769350 571615394 /nfs/dbraw/zinc/61/53/94/571615394.db2.gz BOQWSGHSVDRWTE-XZWHSSHBSA-N 0 0 596.759 8.371 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 ZINC000224770849 571615538 /nfs/dbraw/zinc/61/55/38/571615538.db2.gz YZUDOSIOABDPBN-ROJLCIKYSA-N 0 0 591.762 7.785 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776612 571616079 /nfs/dbraw/zinc/61/60/79/571616079.db2.gz ACISQQBVBYMFKJ-UMSFTDKQSA-N 0 0 719.260 6.459 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3)cc2)cc1 ZINC000224780590 571616423 /nfs/dbraw/zinc/61/64/23/571616423.db2.gz AHOSQXCOPVHMMC-VMPREFPWSA-N 0 0 549.681 7.109 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224780987 571616488 /nfs/dbraw/zinc/61/64/88/571616488.db2.gz ANWQGRCRGSZTRO-LOYHVIPDSA-N 0 0 563.708 7.417 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 ZINC000224781849 571616503 /nfs/dbraw/zinc/61/65/03/571616503.db2.gz LPPHSOKSHIQWHC-WDYNHAJCSA-N 0 0 567.671 7.248 40 5 KKBBRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224782936 571616673 /nfs/dbraw/zinc/61/66/73/571616673.db2.gz AHMZGKDZDOYZTH-KYJUHHDHSA-N 0 0 579.707 7.117 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000224784304 571616785 /nfs/dbraw/zinc/61/67/85/571616785.db2.gz LFCLGRZZYKMLPQ-IOWSJCHKSA-N 0 0 577.735 7.726 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 ZINC000224784718 571616818 /nfs/dbraw/zinc/61/68/18/571616818.db2.gz JMFHUYZESSVXFD-WUFINQPMSA-N 0 0 585.114 7.157 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224785488 571616940 /nfs/dbraw/zinc/61/69/40/571616940.db2.gz GCIRQFLLMPGTHW-WDYNHAJCSA-N 0 0 617.177 8.716 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 ZINC000224785882 571616959 /nfs/dbraw/zinc/61/69/59/571616959.db2.gz BPJMJSMTDBMDPC-WDYNHAJCSA-N 0 0 568.655 7.717 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 ZINC000224785683 571616963 /nfs/dbraw/zinc/61/69/63/571616963.db2.gz IAAPTYNSLMHDJV-WDYNHAJCSA-N 0 0 550.665 7.578 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224786539 571617053 /nfs/dbraw/zinc/61/70/53/571617053.db2.gz FRTNYONXHMTAIH-URLMMPGGSA-N 0 0 595.662 7.486 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 ZINC000224787853 571617165 /nfs/dbraw/zinc/61/71/65/571617165.db2.gz KQJVKRRBSKDQGQ-WDYNHAJCSA-N 0 0 619.555 8.885 40 5 KKBBRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224792592 571617567 /nfs/dbraw/zinc/61/75/67/571617567.db2.gz MDBIVBULWNUQRJ-IHLOFXLRSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 ZINC000224793526 571617651 /nfs/dbraw/zinc/61/76/51/571617651.db2.gz LNKMRMBBAWCETI-IHLOFXLRSA-N 0 0 608.701 7.365 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224801376 571618437 /nfs/dbraw/zinc/61/84/37/571618437.db2.gz HYTYXBFVHVMLLM-BHVANESWSA-N 0 0 698.842 6.114 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224822197 571620368 /nfs/dbraw/zinc/62/03/68/571620368.db2.gz WUJVOVBWKLOMFP-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224833417 571621580 /nfs/dbraw/zinc/62/15/80/571621580.db2.gz UGIXJPRVBKMELA-QFIPXVFZSA-N 0 0 675.179 5.766 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224847404 571622774 /nfs/dbraw/zinc/62/27/74/571622774.db2.gz NEQMJKDVIGTODB-JOCHJYFZSA-N 0 0 526.486 5.714 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224857686 571623863 /nfs/dbraw/zinc/62/38/63/571623863.db2.gz ASZOGYYFRPBSDE-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224871034 571625217 /nfs/dbraw/zinc/62/52/17/571625217.db2.gz SFZODDWFSWPBNH-HHHXNRCGSA-N 0 0 520.029 5.490 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224872125 571625333 /nfs/dbraw/zinc/62/53/33/571625333.db2.gz QVKYXLQICBJWEQ-INIZCTEOSA-N 0 0 538.428 5.155 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224872166 571625378 /nfs/dbraw/zinc/62/53/78/571625378.db2.gz QVKYXLQICBJWEQ-MRXNPFEDSA-N 0 0 538.428 5.155 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224873488 571625566 /nfs/dbraw/zinc/62/55/66/571625566.db2.gz PYNYDSVEJSSYNF-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224881993 571626250 /nfs/dbraw/zinc/62/62/50/571626250.db2.gz DREKWCOKFIDCTL-NRFANRHFSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224889053 571627098 /nfs/dbraw/zinc/62/70/98/571627098.db2.gz FVFKREIJUYDITO-YTTGMZPUSA-N 0 0 727.667 6.579 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224895383 571627699 /nfs/dbraw/zinc/62/76/99/571627699.db2.gz ATRRZFDVOSNNEE-MHZLTWQESA-N 0 0 520.029 5.490 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 ZINC000224913613 571629279 /nfs/dbraw/zinc/62/92/79/571629279.db2.gz XJMYCDIRZPXPPP-DQEYMECFSA-N 0 0 504.543 5.883 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 ZINC000224913531 571629308 /nfs/dbraw/zinc/62/93/08/571629308.db2.gz XJMYCDIRZPXPPP-RPBOFIJWSA-N 0 0 504.543 5.883 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224918434 571629796 /nfs/dbraw/zinc/62/97/96/571629796.db2.gz RHWILEVXVYOECP-MUUNZHRXSA-N 0 0 566.123 6.180 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224918973 571629831 /nfs/dbraw/zinc/62/98/31/571629831.db2.gz UDTHFRJPNLXHTO-MHZLTWQESA-N 0 0 520.029 5.490 40 5 KKBBRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224966747 571634716 /nfs/dbraw/zinc/63/47/16/571634716.db2.gz OOXMDPPTZPCARE-QHCPKHFHSA-N 0 0 687.215 5.635 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224969367 571634959 /nfs/dbraw/zinc/63/49/59/571634959.db2.gz PDYFKXFPRFSEIJ-XIFFEERXSA-N 0 0 658.752 5.628 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224991680 571637140 /nfs/dbraw/zinc/63/71/40/571637140.db2.gz LHLBOOXLXGEWTR-FGZHOGPDSA-N 0 0 631.151 5.093 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225011305 571638756 /nfs/dbraw/zinc/63/87/56/571638756.db2.gz QCPCOTVEABXFAO-AREMUKBSSA-N 0 0 584.536 5.755 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225020563 571639610 /nfs/dbraw/zinc/63/96/10/571639610.db2.gz ZDROVENONHPFFD-XIFFEERXSA-N 0 0 737.673 6.034 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225038234 571641111 /nfs/dbraw/zinc/64/11/11/571641111.db2.gz KRUBQKWCSGNKCY-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225037817 571641113 /nfs/dbraw/zinc/64/11/13/571641113.db2.gz JMQBYDSVWGLGOE-VWLOTQADSA-N 0 0 528.436 5.609 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225040925 571641296 /nfs/dbraw/zinc/64/12/96/571641296.db2.gz NIBQDPBIZRIYII-PMERELPUSA-N 0 0 606.745 5.355 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225062050 571643254 /nfs/dbraw/zinc/64/32/54/571643254.db2.gz ZFSJPUHEQYMIFR-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225067250 571643695 /nfs/dbraw/zinc/64/36/95/571643695.db2.gz WCRSVEBLNOGKJQ-WJOKGBTCSA-N 0 0 683.614 6.262 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225068702 571643841 /nfs/dbraw/zinc/64/38/41/571643841.db2.gz ZZGWZVWDPXOTDE-UMSFTDKQSA-N 0 0 788.150 7.766 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225082528 571645527 /nfs/dbraw/zinc/64/55/27/571645527.db2.gz IBCFPVKWUNZMQK-MHZLTWQESA-N 0 0 554.474 6.143 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225084920 571645757 /nfs/dbraw/zinc/64/57/57/571645757.db2.gz QYKUVKXCMRELJX-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225111353 571648492 /nfs/dbraw/zinc/64/84/92/571648492.db2.gz OQQGOLKCZUUZPS-XZOQPEGZSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119339 571649309 /nfs/dbraw/zinc/64/93/09/571649309.db2.gz UGSMHIDXHSKWPZ-SXOMAYOGSA-N 0 0 571.659 6.420 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225131096 571650225 /nfs/dbraw/zinc/65/02/25/571650225.db2.gz OILNTAQLZLCJNK-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000225139416 571651118 /nfs/dbraw/zinc/65/11/18/571651118.db2.gz DDEDKYPKLBWCQD-IZZNHLLZSA-N 0 0 561.067 6.206 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000225139335 571651128 /nfs/dbraw/zinc/65/11/28/571651128.db2.gz DDEDKYPKLBWCQD-UIOOFZCWSA-N 0 0 561.067 6.206 40 5 KKBBRN 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261055823 572059371 /nfs/dbraw/zinc/05/93/71/572059371.db2.gz MVAAUTYWSRRLLU-CMVGPNDKSA-N 0 0 642.778 5.653 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225747171 572059578 /nfs/dbraw/zinc/05/95/78/572059578.db2.gz UEKBETVLKCJZHU-NDEPHWFRSA-N 0 0 533.694 5.549 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261064738 572065078 /nfs/dbraw/zinc/06/50/78/572065078.db2.gz OJPWCFJSOLSINI-HRFSGMKKSA-N 0 0 665.596 5.231 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261091316 572081712 /nfs/dbraw/zinc/08/17/12/572081712.db2.gz UDENUHMEVXMHHD-HXUWFJFHSA-N 0 0 649.141 5.232 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261092386 572082439 /nfs/dbraw/zinc/08/24/39/572082439.db2.gz UHLNJSGNBCWVKB-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261105380 572092421 /nfs/dbraw/zinc/09/24/21/572092421.db2.gz XBYPZGLOCCNTEM-RTWAWAEBSA-N 0 0 710.047 5.855 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261109042 572093824 /nfs/dbraw/zinc/09/38/24/572093824.db2.gz XOBWNDXXSNWXKQ-GOXGLGGOSA-N 0 0 646.741 5.484 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000261114920 572096804 /nfs/dbraw/zinc/09/68/04/572096804.db2.gz YIAMRCGWUMVTQC-JGCGQSQUSA-N 0 0 642.778 5.653 40 5 KKBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261365831 572108620 /nfs/dbraw/zinc/10/86/20/572108620.db2.gz VOLVXIHTZCHPJC-SANMLTNESA-O 0 0 532.602 5.419 40 5 KKBBRN COc1ccc(C(=O)N(C)CCc2cc(OC)c(OC)c3c2ccc2cc(OC)c(OC)cc23)cc1OC ZINC000263584944 572115806 /nfs/dbraw/zinc/11/58/06/572115806.db2.gz CIARAJJRNKHEHJ-UHFFFAOYSA-N 0 0 519.594 5.359 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000263616285 572130880 /nfs/dbraw/zinc/13/08/80/572130880.db2.gz HWYJEBSPZZWBMD-CDCAYWRYSA-O 0 0 583.900 5.283 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000299888556 572141650 /nfs/dbraw/zinc/14/16/50/572141650.db2.gz OFNSUWBAQRCHAV-PFLYXXFLSA-N 0 0 584.885 9.759 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000299888680 572142077 /nfs/dbraw/zinc/14/20/77/572142077.db2.gz SZCBXWMUOPQSOX-KVVMEMRJSA-N 0 0 600.884 8.970 40 5 KKBBRN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000245242059 572216583 /nfs/dbraw/zinc/21/65/83/572216583.db2.gz YDFNPRCPBPZTAW-PDKYLHCFSA-N 0 0 573.574 5.041 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl ZINC000408545302 572218479 /nfs/dbraw/zinc/21/84/79/572218479.db2.gz XNSNBVRLUDDMKO-FPLPWBNLSA-N 0 0 526.714 5.907 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 ZINC000408552043 572237251 /nfs/dbraw/zinc/23/72/51/572237251.db2.gz RNSFJRNKAHCQQW-YBFXNURJSA-N 0 0 580.844 5.248 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408554437 572241952 /nfs/dbraw/zinc/24/19/52/572241952.db2.gz DXTLHLBIZLBEMI-DEOSSOPVSA-N 0 0 519.406 6.658 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408554923 572242309 /nfs/dbraw/zinc/24/23/09/572242309.db2.gz FEKOROVUHGEZQT-UHFFFAOYSA-N 0 0 657.608 8.047 40 5 KKBBRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2CNc2cccc([N+](=O)[O-])c2)c1 ZINC000408555434 572242765 /nfs/dbraw/zinc/24/27/65/572242765.db2.gz FYCXOZBULMMDCW-UHFFFAOYSA-N 0 0 549.219 6.058 40 5 KKBBRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408555898 572243469 /nfs/dbraw/zinc/24/34/69/572243469.db2.gz ZOKCXBPTTVRENG-UHFFFAOYSA-N 0 0 518.307 5.348 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1 ZINC000408557832 572245254 /nfs/dbraw/zinc/24/52/54/572245254.db2.gz QELITKXWAYNBAW-UHFFFAOYSA-N 0 0 522.314 5.928 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559434 572246729 /nfs/dbraw/zinc/24/67/29/572246729.db2.gz ZSUGICXHRBOQBX-UHFFFAOYSA-N 0 0 549.321 5.697 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563855 572249727 /nfs/dbraw/zinc/24/97/27/572249727.db2.gz BFDUCDPNERUGEN-OCAOGGMISA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563864 572249796 /nfs/dbraw/zinc/24/97/96/572249796.db2.gz BFRQKFBLGRCHLM-GJECAEJISA-N 0 0 617.294 5.321 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563862 572249800 /nfs/dbraw/zinc/24/98/00/572249800.db2.gz BFRQKFBLGRCHLM-FODJJAHYSA-N 0 0 617.294 5.321 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564757 572250774 /nfs/dbraw/zinc/25/07/74/572250774.db2.gz FTZSNZBQWLIBQL-GJECAEJISA-N 0 0 512.393 5.403 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC ZINC000408564769 572250893 /nfs/dbraw/zinc/25/08/93/572250893.db2.gz ABPZRKZWIBFAPT-FQEVSTJZSA-N 0 0 521.437 5.472 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408564827 572251014 /nfs/dbraw/zinc/25/10/14/572251014.db2.gz AMFXCFBLHBQJOX-DEOSSOPVSA-N 0 0 666.367 7.328 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408564834 572251081 /nfs/dbraw/zinc/25/10/81/572251081.db2.gz AMVFVIQSYZBXEV-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000408564854 572251091 /nfs/dbraw/zinc/25/10/91/572251091.db2.gz AOKMUWBFBVIRNC-QHCPKHFHSA-N 0 0 570.425 5.936 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1cccc(C)c1 ZINC000408564880 572251191 /nfs/dbraw/zinc/25/11/91/572251191.db2.gz AQHJIFRAGGDYSQ-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccccc1 ZINC000408565082 572251730 /nfs/dbraw/zinc/25/17/30/572251730.db2.gz BDILIGBLVSTAHV-QHCPKHFHSA-N 0 0 525.428 6.027 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408565350 572252406 /nfs/dbraw/zinc/25/24/06/572252406.db2.gz BTXGFUAWPHQMIZ-HHHXNRCGSA-N 0 0 587.529 7.587 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408565459 572252619 /nfs/dbraw/zinc/25/26/19/572252619.db2.gz BZPJKTPSMNSKCA-AREMUKBSSA-N 0 0 539.057 6.544 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(C)cc1 ZINC000408565416 572252658 /nfs/dbraw/zinc/25/26/58/572252658.db2.gz BVHDRLXBPDBLJJ-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565520 572252792 /nfs/dbraw/zinc/25/27/92/572252792.db2.gz LFSJWGRUDUUOOB-YJIIWGRFSA-N 0 0 621.315 6.256 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408565503 572252839 /nfs/dbraw/zinc/25/28/39/572252839.db2.gz CCFNMGSEFJFEMW-DEOSSOPVSA-N 0 0 638.371 7.733 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408565577 572252884 /nfs/dbraw/zinc/25/28/84/572252884.db2.gz CKOKPUKSLJDVCB-DEOSSOPVSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408565615 572252897 /nfs/dbraw/zinc/25/28/97/572252897.db2.gz CNUXRYYGZBESIS-HXUWFJFHSA-N 0 0 507.410 5.246 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565635 572252899 /nfs/dbraw/zinc/25/28/99/572252899.db2.gz LPZGZXVPPSYCID-BQVXCWBNSA-N 0 0 607.288 5.865 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565662 572252912 /nfs/dbraw/zinc/25/29/12/572252912.db2.gz CRMZTKHPFZZBQG-JOCHJYFZSA-N 0 0 551.402 6.850 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408565592 572252929 /nfs/dbraw/zinc/25/29/29/572252929.db2.gz CLSDNCCKAQFOCM-RUZDIDTESA-N 0 0 569.481 6.426 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565641 572252938 /nfs/dbraw/zinc/25/29/38/572252938.db2.gz LPZGZXVPPSYCID-NLRIEGLYSA-N 0 0 607.288 5.865 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408565700 572253047 /nfs/dbraw/zinc/25/30/47/572253047.db2.gz CVACGRQRZFHXGX-XMMPIXPASA-N 0 0 589.899 6.689 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408565957 572253265 /nfs/dbraw/zinc/25/32/65/572253265.db2.gz DKQYELAYZXBHSZ-QHCPKHFHSA-N 0 0 591.434 6.314 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408566088 572253441 /nfs/dbraw/zinc/25/34/41/572253441.db2.gz DVQQESWHKLCOSH-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566433 572253777 /nfs/dbraw/zinc/25/37/77/572253777.db2.gz NYNLGKOHGTUJJM-KITIHOALSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566457 572253783 /nfs/dbraw/zinc/25/37/83/572253783.db2.gz OHLYPPZXWRYHCY-NUWWLQTNSA-N 0 0 582.426 5.230 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408566797 572253992 /nfs/dbraw/zinc/25/39/92/572253992.db2.gz GDRZGMJJWLQVQD-JOCHJYFZSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408566786 572254018 /nfs/dbraw/zinc/25/40/18/572254018.db2.gz GDGTYFFAGBVXON-JOCHJYFZSA-N 0 0 551.402 6.850 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccccc1 ZINC000408566784 572254040 /nfs/dbraw/zinc/25/40/40/572254040.db2.gz GDGOSFIVPGXCQJ-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408567138 572254178 /nfs/dbraw/zinc/25/41/78/572254178.db2.gz GOZJQPLGIKPKOL-HSZRJFAPSA-N 0 0 579.893 7.234 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567246 572254245 /nfs/dbraw/zinc/25/42/45/572254245.db2.gz QNFPHUBHZDBAOU-CNBSGPCYSA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408567539 572254319 /nfs/dbraw/zinc/25/43/19/572254319.db2.gz GUJQYOVKEKSVKW-QHCPKHFHSA-N 0 0 588.415 6.075 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567840 572254537 /nfs/dbraw/zinc/25/45/37/572254537.db2.gz RWTQFOJXPRQGPQ-UYDITSSVSA-N 0 0 570.415 5.088 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568124 572254683 /nfs/dbraw/zinc/25/46/83/572254683.db2.gz HSYLVQWUYACAIR-DEOSSOPVSA-N 0 0 593.920 7.624 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408568100 572254684 /nfs/dbraw/zinc/25/46/84/572254684.db2.gz HRBQPVXPSHLKTA-RUZDIDTESA-N 0 0 583.508 6.653 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408568101 572254725 /nfs/dbraw/zinc/25/47/25/572254725.db2.gz HRBQPVXPSHLKTA-VWLOTQADSA-N 0 0 583.508 6.653 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408568227 572254846 /nfs/dbraw/zinc/25/48/46/572254846.db2.gz HYJIMZNFMDPJML-RUZDIDTESA-N 0 0 622.372 7.951 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408568199 572254849 /nfs/dbraw/zinc/25/48/49/572254849.db2.gz HWIUDJVQGOZHSP-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1cccc(C)c1 ZINC000408568587 572255009 /nfs/dbraw/zinc/25/50/09/572255009.db2.gz IBEAGHDDMDFMPH-XMMPIXPASA-N 0 0 505.556 5.481 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408568591 572255030 /nfs/dbraw/zinc/25/50/30/572255030.db2.gz IBGDFCIQIKDTIF-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@H]3C([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568401 572255062 /nfs/dbraw/zinc/25/50/62/572255062.db2.gz UHEFEKKQDLUNOE-ONRXEWETSA-N 0 0 538.431 5.935 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccccc1 ZINC000408568627 572255097 /nfs/dbraw/zinc/25/50/97/572255097.db2.gz IDARJRKAJYCGEP-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408568697 572255172 /nfs/dbraw/zinc/25/51/72/572255172.db2.gz IJFRZSNUBCYRRM-VWLOTQADSA-N 0 0 557.047 6.764 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1cccc(C)c1 ZINC000408568693 572255182 /nfs/dbraw/zinc/25/51/82/572255182.db2.gz IJCSBGZUWPGBIN-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408568657 572255202 /nfs/dbraw/zinc/25/52/02/572255202.db2.gz IEMJGNSDKKFELX-SANMLTNESA-N 0 0 631.524 6.964 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568879 572255329 /nfs/dbraw/zinc/25/53/29/572255329.db2.gz VCTDNYRZUARHSV-UQBYDPJISA-N 0 0 558.849 6.280 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568964 572255352 /nfs/dbraw/zinc/25/53/52/572255352.db2.gz VKMXIAPQIYKJEE-NUWWLQTNSA-N 0 0 643.332 5.854 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568976 572255531 /nfs/dbraw/zinc/25/55/31/572255531.db2.gz VKWBWWDUBRLMOB-UQBYDPJISA-N 0 0 524.404 5.627 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569373 572255609 /nfs/dbraw/zinc/25/56/09/572255609.db2.gz WCJWWADNIOIXGW-LHJUMPSXSA-N 0 0 523.589 5.339 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569375 572255669 /nfs/dbraw/zinc/25/56/69/572255669.db2.gz WCJWWADNIOIXGW-QLZDYINWSA-N 0 0 523.589 5.339 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408569553 572255727 /nfs/dbraw/zinc/25/57/27/572255727.db2.gz JNBFOJJYDAFHLZ-QHCPKHFHSA-N 0 0 634.350 6.798 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408569504 572255754 /nfs/dbraw/zinc/25/57/54/572255754.db2.gz JILLXFHBCXORBY-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 ZINC000408569643 572255861 /nfs/dbraw/zinc/25/58/61/572255861.db2.gz WUSXEOSFZLJTND-TUPPOGIXSA-N 0 0 603.300 6.389 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408569599 572255875 /nfs/dbraw/zinc/25/58/75/572255875.db2.gz JUGXEPCEPUMMIE-RUZDIDTESA-N 0 0 525.030 6.235 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000408569871 572256056 /nfs/dbraw/zinc/25/60/56/572256056.db2.gz KALGBORFNRYDQQ-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408569852 572256062 /nfs/dbraw/zinc/25/60/62/572256062.db2.gz JYWYZPJMLAQCOB-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569704 572256081 /nfs/dbraw/zinc/25/60/81/572256081.db2.gz XCPBFVVEUNZNFH-HGMMTPDKSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570043 572256128 /nfs/dbraw/zinc/25/61/28/572256128.db2.gz YFJGEKLSQGOTNF-NLRIEGLYSA-N 0 0 572.843 5.212 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408569978 572256220 /nfs/dbraw/zinc/25/62/20/572256220.db2.gz KLXFHANEQSXKPK-DEOSSOPVSA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000408570365 572256390 /nfs/dbraw/zinc/25/63/90/572256390.db2.gz LDIWFYLEPHECFE-MHZLTWQESA-N 0 0 552.628 6.201 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccccc1 ZINC000408570379 572256417 /nfs/dbraw/zinc/25/64/17/572256417.db2.gz LGQPKGDDORNNLD-MHZLTWQESA-N 0 0 575.488 7.181 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccccc1 ZINC000408570642 572256482 /nfs/dbraw/zinc/25/64/82/572256482.db2.gz LSFNGWDCQNGVTQ-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408570878 572256616 /nfs/dbraw/zinc/25/66/16/572256616.db2.gz MDVGLDUGXVNKQG-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1 ZINC000408570874 572256638 /nfs/dbraw/zinc/25/66/38/572256638.db2.gz MDQGRFVTAMULHW-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408570937 572256678 /nfs/dbraw/zinc/25/66/78/572256678.db2.gz MKJFOKMVFAOOFR-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000408571021 572256691 /nfs/dbraw/zinc/25/66/91/572256691.db2.gz MVINGLPCNKGRMA-SANMLTNESA-N 0 0 504.612 5.972 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571067 572256698 /nfs/dbraw/zinc/25/66/98/572256698.db2.gz NFSGXCIJQOJHIB-AREMUKBSSA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571130 572256817 /nfs/dbraw/zinc/25/68/17/572256817.db2.gz NSIMIXMMMRDAAE-DEOSSOPVSA-N 0 0 656.361 7.872 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000408571138 572256819 /nfs/dbraw/zinc/25/68/19/572256819.db2.gz NTBOBHJLOBSHPF-AREMUKBSSA-N 0 0 520.611 5.672 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408571085 572256851 /nfs/dbraw/zinc/25/68/51/572256851.db2.gz NKUFJHVUVQIXMV-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F ZINC000408571128 572256852 /nfs/dbraw/zinc/25/68/52/572256852.db2.gz NSGXMMCRGNGVFB-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408571193 572256951 /nfs/dbraw/zinc/25/69/51/572256951.db2.gz OCLFMTWIBJRJBR-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408571292 572256955 /nfs/dbraw/zinc/25/69/55/572256955.db2.gz OHAHCANSSAWCGW-HSZRJFAPSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571543 572257131 /nfs/dbraw/zinc/25/71/31/572257131.db2.gz OWVJLTZHFKAIDR-NRFANRHFSA-N 0 0 529.818 6.970 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571586 572257179 /nfs/dbraw/zinc/25/71/79/572257179.db2.gz PDCPPHHTPJWDJW-DEOSSOPVSA-N 0 0 563.894 7.533 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccccc1 ZINC000408571578 572257208 /nfs/dbraw/zinc/25/72/08/572257208.db2.gz PCFLABRTMDYREU-QHCPKHFHSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000408571666 572257294 /nfs/dbraw/zinc/25/72/94/572257294.db2.gz PLPGVQYXZKJVGV-SANMLTNESA-N 0 0 583.508 6.734 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571831 572257342 /nfs/dbraw/zinc/25/73/42/572257342.db2.gz PQLZZXNKARSDGY-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571864 572257394 /nfs/dbraw/zinc/25/73/94/572257394.db2.gz PSVVANAHDIVZMK-RUZDIDTESA-N 0 0 527.021 6.674 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408571911 572257470 /nfs/dbraw/zinc/25/74/70/572257470.db2.gz PVSXSISELHTYBD-HSZRJFAPSA-N 0 0 604.870 6.589 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 ZINC000408571895 572257499 /nfs/dbraw/zinc/25/74/99/572257499.db2.gz PUOGEXIZEKOKCP-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571913 572257501 /nfs/dbraw/zinc/25/75/01/572257501.db2.gz PWDZBVSOUUOCNL-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408572377 572257823 /nfs/dbraw/zinc/25/78/23/572257823.db2.gz QZVPUUMFRBIBMW-FQEVSTJZSA-N 0 0 515.791 6.580 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OC)c2)cc1 ZINC000408572448 572257842 /nfs/dbraw/zinc/25/78/42/572257842.db2.gz RENWMFYWFRGEAQ-HXUWFJFHSA-N 0 0 537.436 5.254 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408572488 572257873 /nfs/dbraw/zinc/25/78/73/572257873.db2.gz RHOGEJWIBVQVKR-VWLOTQADSA-N 0 0 559.475 6.889 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408572600 572257948 /nfs/dbraw/zinc/25/79/48/572257948.db2.gz RJTNWJRDWOZTMT-SANMLTNESA-N 0 0 504.612 5.972 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408573045 572258489 /nfs/dbraw/zinc/25/84/89/572258489.db2.gz SGLSEOXGHBIXTI-RUZDIDTESA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OCC)c2)cc1 ZINC000408573098 572258612 /nfs/dbraw/zinc/25/86/12/572258612.db2.gz SLVBBGGGIJNSOF-NRFANRHFSA-N 0 0 551.463 5.644 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408573454 572258860 /nfs/dbraw/zinc/25/88/60/572258860.db2.gz SXKMPOSVAWOAPX-XMMPIXPASA-N 0 0 638.371 7.651 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCC ZINC000408573537 572258959 /nfs/dbraw/zinc/25/89/59/572258959.db2.gz TUMXVUVUXFKGMW-HXUWFJFHSA-N 0 0 521.437 5.554 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408573932 572259158 /nfs/dbraw/zinc/25/91/58/572259158.db2.gz UEKSLWBYQNFUOR-RUZDIDTESA-N 0 0 524.574 5.421 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000408574076 572259228 /nfs/dbraw/zinc/25/92/28/572259228.db2.gz UOTFQMIZXNLZBX-SANMLTNESA-N 0 0 647.979 7.478 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408574427 572259615 /nfs/dbraw/zinc/25/96/15/572259615.db2.gz UUMNQGJPGSCLDP-HSZRJFAPSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408574532 572259782 /nfs/dbraw/zinc/25/97/82/572259782.db2.gz RSQNPAKCMNQXOF-UHFFFAOYSA-N 0 0 577.446 5.175 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408575501 572260455 /nfs/dbraw/zinc/26/04/55/572260455.db2.gz WKLCIBDSYPYXJB-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408575504 572260498 /nfs/dbraw/zinc/26/04/98/572260498.db2.gz WKLCIBDSYPYXJB-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408575403 572260520 /nfs/dbraw/zinc/26/05/20/572260520.db2.gz WDENZCOQLBMJLV-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408575625 572260611 /nfs/dbraw/zinc/26/06/11/572260611.db2.gz WSILEVMAZJOHBP-AREMUKBSSA-N 0 0 615.525 7.182 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408575900 572260887 /nfs/dbraw/zinc/26/08/87/572260887.db2.gz WZTJHSJWZGXOMY-RUZDIDTESA-N 0 0 662.404 7.497 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc(F)c1 ZINC000408575987 572260932 /nfs/dbraw/zinc/26/09/32/572260932.db2.gz XDEPZIAXLPNOGH-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408576054 572260955 /nfs/dbraw/zinc/26/09/55/572260955.db2.gz XGMYSFBNJMPTEQ-MHZLTWQESA-N 0 0 605.514 7.189 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408576155 572261015 /nfs/dbraw/zinc/26/10/15/572261015.db2.gz XLJCLNUFPBGHTC-DEOSSOPVSA-N 0 0 603.470 6.184 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408576109 572261023 /nfs/dbraw/zinc/26/10/23/572261023.db2.gz XHYKNIFCLHRPKD-QHCPKHFHSA-N 0 0 525.974 5.826 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408576505 572261222 /nfs/dbraw/zinc/26/12/22/572261222.db2.gz XNJQUMGNCIBBBZ-QHCPKHFHSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408576511 572261258 /nfs/dbraw/zinc/26/12/58/572261258.db2.gz XNVSLCUXPZAKEX-VWLOTQADSA-N 0 0 668.397 7.741 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408576614 572261282 /nfs/dbraw/zinc/26/12/82/572261282.db2.gz XVZRZSJFYIIYCE-VWLOTQADSA-N 0 0 603.926 7.079 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000408576578 572261293 /nfs/dbraw/zinc/26/12/93/572261293.db2.gz XSZVKYSWZQPUOH-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000408576576 572261299 /nfs/dbraw/zinc/26/12/99/572261299.db2.gz XSZVKYSWZQPUOH-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408576584 572261310 /nfs/dbraw/zinc/26/13/10/572261310.db2.gz XTGCFKXYPHVNTM-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408576561 572261331 /nfs/dbraw/zinc/26/13/31/572261331.db2.gz XSEHVYUXXDJSHO-RUZDIDTESA-N 0 0 587.927 7.298 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccccc1 ZINC000408576517 572261341 /nfs/dbraw/zinc/26/13/41/572261341.db2.gz XOCNWOROXYRUDP-MHZLTWQESA-N 0 0 575.488 7.181 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408576649 572261418 /nfs/dbraw/zinc/26/14/18/572261418.db2.gz XZGJZBNWAWJXKQ-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408577249 572261921 /nfs/dbraw/zinc/26/19/21/572261921.db2.gz YWGNVYSQWAAVSU-AREMUKBSSA-N 0 0 573.502 7.197 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 ZINC000408577405 572261957 /nfs/dbraw/zinc/26/19/57/572261957.db2.gz ZHMOCQCRQGGLID-SANMLTNESA-N 0 0 613.534 6.825 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F ZINC000408577371 572261997 /nfs/dbraw/zinc/26/19/97/572261997.db2.gz ZCJUOVDBBXIIFR-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577543 572262162 /nfs/dbraw/zinc/26/21/62/572262162.db2.gz ZRZRJWVIHQGGBA-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408577813 572262400 /nfs/dbraw/zinc/26/24/00/572262400.db2.gz ZZTHBNWUVXTXQZ-RUZDIDTESA-N 0 0 617.497 6.574 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408577782 572262445 /nfs/dbraw/zinc/26/24/45/572262445.db2.gz ZWHVVEINPZNDFY-RUZDIDTESA-N 0 0 543.476 7.188 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000408585178 572266050 /nfs/dbraw/zinc/26/60/50/572266050.db2.gz CEGLFEUOTIPXKY-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408585616 572266063 /nfs/dbraw/zinc/26/60/63/572266063.db2.gz GLISNQZELZOWCT-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408589134 572267078 /nfs/dbraw/zinc/26/70/78/572267078.db2.gz YXVQQIGVNSFBJO-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408604066 572273916 /nfs/dbraw/zinc/27/39/16/572273916.db2.gz DAUMYBWBERUGOD-UHFFFAOYSA-N 0 0 557.184 7.375 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1 ZINC000408605625 572274513 /nfs/dbraw/zinc/27/45/13/572274513.db2.gz GHBBHSKXPPZVFF-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408611498 572276603 /nfs/dbraw/zinc/27/66/03/572276603.db2.gz SMXPPCZKBOKUID-UHFFFAOYSA-N 0 0 500.349 5.304 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408612460 572276904 /nfs/dbraw/zinc/27/69/04/572276904.db2.gz WDFVHWLLIMRMIT-UHFFFAOYSA-N 0 0 613.157 7.938 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408637574 572294471 /nfs/dbraw/zinc/29/44/71/572294471.db2.gz AKUKHMMFKQYJGF-IAIFEWERSA-N 0 0 604.015 5.129 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408637762 572294600 /nfs/dbraw/zinc/29/46/00/572294600.db2.gz BBQDRFOCXFZEQS-ZCYQVOJMSA-N 0 0 608.434 6.275 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408638139 572294877 /nfs/dbraw/zinc/29/48/77/572294877.db2.gz BZAPNDQRHVIOQX-HGMMTPDKSA-N 0 0 610.450 6.355 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000408638815 572295361 /nfs/dbraw/zinc/29/53/61/572295361.db2.gz DMYVRTLVZRBFFY-UHFFFAOYSA-N 0 0 597.967 5.312 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408639139 572295621 /nfs/dbraw/zinc/29/56/21/572295621.db2.gz VKCLVPKENOSZMI-NRFANRHFSA-N 0 0 510.502 5.319 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1 ZINC000408639238 572295706 /nfs/dbraw/zinc/29/57/06/572295706.db2.gz FIFUISBOJVNPIE-UHFFFAOYSA-N 0 0 601.613 6.398 40 5 KKBBRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408639634 572295962 /nfs/dbraw/zinc/29/59/62/572295962.db2.gz GDABGDJBEYBEPQ-GFCCVEGCSA-N 0 0 546.750 5.480 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639601 572295974 /nfs/dbraw/zinc/29/59/74/572295974.db2.gz GBJMASUTSLWCAB-UHFFFAOYSA-N 0 0 600.927 5.485 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408639795 572296049 /nfs/dbraw/zinc/29/60/49/572296049.db2.gz ZPKYWDOCCDMEJC-QHCPKHFHSA-N 0 0 536.540 5.833 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408640269 572296388 /nfs/dbraw/zinc/29/63/88/572296388.db2.gz HTDWEDCFTFXDND-UHFFFAOYSA-N 0 0 677.236 6.557 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408640937 572296714 /nfs/dbraw/zinc/29/67/14/572296714.db2.gz BQVQNDPVXWZFIT-AGTZKDDFSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408640974 572296723 /nfs/dbraw/zinc/29/67/23/572296723.db2.gz BURPPFXVWXRWRN-JOCHJYFZSA-N 0 0 633.440 6.567 40 5 KKBBRN 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/nfs/dbraw/zinc/31/15/59/572311559.db2.gz UATKSPQQKBRAKW-LXYMHCHRSA-N 0 0 564.425 5.151 40 5 KKBBRN O=C(Oc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)c1ccco1 ZINC000408665763 572311668 /nfs/dbraw/zinc/31/16/68/572311668.db2.gz ZJYDVMWINJWFSH-AJBRRXLCSA-N 0 0 667.630 5.539 40 5 KKBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408668976 572313676 /nfs/dbraw/zinc/31/36/76/572313676.db2.gz RPGBWWFTHILWIY-GFCCVEGCSA-N 0 0 623.232 6.276 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408671836 572315811 /nfs/dbraw/zinc/31/58/11/572315811.db2.gz VDCCKZCIROOGIY-UHFFFAOYSA-N 0 0 519.554 5.720 40 5 KKBBRN C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408672083 572315855 /nfs/dbraw/zinc/31/58/55/572315855.db2.gz ZIAWZAMDUYJYBC-QQAHRBHRSA-N 0 0 585.827 5.273 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408672309 572316106 /nfs/dbraw/zinc/31/61/06/572316106.db2.gz VLCMXNHVZTVLHQ-UHFFFAOYSA-N 0 0 562.362 5.603 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@H](C4=O)C4c6ccccc6C5c5ccccc54)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673951 572317033 /nfs/dbraw/zinc/31/70/33/572317033.db2.gz YAYRPDXMPZRTHL-FSGKEUEHSA-N 0 0 613.626 5.258 40 5 KKBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@@H](C4=O)C4c6ccccc6C5c5ccccc54)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673954 572317054 /nfs/dbraw/zinc/31/70/54/572317054.db2.gz YAYRPDXMPZRTHL-OQRRONEISA-N 0 0 613.626 5.258 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408675526 572318120 /nfs/dbraw/zinc/31/81/20/572318120.db2.gz BEQQEGCNJJXCJK-NPYONTDKSA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1 ZINC000408676596 572318718 /nfs/dbraw/zinc/31/87/18/572318718.db2.gz AXRDEDGQWTUYDS-RAWLKHAVSA-N 0 0 592.007 5.381 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408677490 572319155 /nfs/dbraw/zinc/31/91/55/572319155.db2.gz BYTOQKUTKYXFCA-HCXPYDJZSA-N 0 0 547.542 5.184 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408677502 572319244 /nfs/dbraw/zinc/31/92/44/572319244.db2.gz BZLVIXZZCDXTAL-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=c1oc2cc(S(=O)(=O)Oc3ccccc3Cl)ccc2c2ccc(S(=O)(=O)Oc3ccccc3Cl)cc12 ZINC000102415320 1069702547 /nfs/dbraw/zinc/70/25/47/1069702547.db2.gz VRPOATHBERXTOJ-UHFFFAOYSA-N 0 0 577.419 5.788 40 5 KKBBRN CO[C@H]1O[C@@H]2CO[C@@H]([C@@H]2Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000599401545 1069755354 /nfs/dbraw/zinc/75/53/54/1069755354.db2.gz CANOXZHKRVEESV-BPZCRLQGSA-N 0 0 804.728 12.571 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409207079 1069800057 /nfs/dbraw/zinc/80/00/57/1069800057.db2.gz OJBGZPGSVFOSCL-JMIUGGIZSA-N 0 0 619.837 5.882 40 5 KKBBRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)c1 ZINC000409184997 1069797891 /nfs/dbraw/zinc/79/78/91/1069797891.db2.gz ZXGUFTADIGFKJB-UHFFFAOYSA-N 0 0 531.948 6.968 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409016421 1069845772 /nfs/dbraw/zinc/84/57/72/1069845772.db2.gz CKTUBWQQPKKOBD-SRZZPIQSSA-N 0 0 516.312 5.713 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408840965 1069845897 /nfs/dbraw/zinc/84/58/97/1069845897.db2.gz GVGJPJCSZNHHDR-UAMLYEQYSA-N 0 0 563.610 5.934 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408762924 1069868809 /nfs/dbraw/zinc/86/88/09/1069868809.db2.gz COMXHETWGUEIQW-TVRVIFGSSA-N 0 0 833.657 6.053 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408769019 1069874735 /nfs/dbraw/zinc/87/47/35/1069874735.db2.gz KZJPXMBBPNMGHS-UHAPOFRNSA-N 0 0 662.724 5.378 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770534 1069879472 /nfs/dbraw/zinc/87/94/72/1069879472.db2.gz YPGAWLQNIYARBI-JJHILCALSA-N 0 0 738.613 5.464 40 5 KKBBRN CCOc1cc(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408775952 1069880763 /nfs/dbraw/zinc/88/07/63/1069880763.db2.gz KUXCWVUWWBVQEL-KLKBWYFJSA-N 0 0 584.492 6.497 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408785197 1069914044 /nfs/dbraw/zinc/91/40/44/1069914044.db2.gz ZPUADJVEULHULN-SCRHHBKZSA-N 0 0 570.465 6.107 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408811804 1069966972 /nfs/dbraw/zinc/96/69/72/1069966972.db2.gz LZFYLYBSCDPGJR-BKUYFWCQSA-N 0 0 588.379 6.028 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408823291 1069987508 /nfs/dbraw/zinc/98/75/08/1069987508.db2.gz DSBAYZOHTLHQDM-KEPJHFNWSA-N 0 0 818.484 6.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821042 1069995477 /nfs/dbraw/zinc/99/54/77/1069995477.db2.gz BUDGBPSLNIFZFZ-ZFWDJNJRSA-N 0 0 737.843 7.008 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408821390 1069996848 /nfs/dbraw/zinc/99/68/48/1069996848.db2.gz GXZXHKNEHVGCSP-DDIUQFJASA-N 0 0 620.687 5.668 40 5 KKBBRN COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408826264 1070002903 /nfs/dbraw/zinc/00/29/03/1070002903.db2.gz CQYNLFISVRAKKH-UNDLXJOSSA-N 0 0 545.620 5.389 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408827771 1070007619 /nfs/dbraw/zinc/00/76/19/1070007619.db2.gz MQJNGFYMORLEMY-KEPJHFNWSA-N 0 0 667.662 6.305 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408833123 1070019083 /nfs/dbraw/zinc/01/90/83/1070019083.db2.gz SZHSJXGESGAILD-IVQFASICSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408837309 1070029778 /nfs/dbraw/zinc/02/97/78/1070029778.db2.gz BWVYQYDPVLPPPQ-VZIOXZNFSA-N 0 0 617.989 5.471 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408841166 1070044001 /nfs/dbraw/zinc/04/40/01/1070044001.db2.gz FVTLZNQOIMZJMB-UAMLYEQYSA-N 0 0 580.065 6.449 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408841062 1070044111 /nfs/dbraw/zinc/04/41/11/1070044111.db2.gz FJLQSYMCLLHUMH-ZZUHSINASA-N 0 0 574.998 6.825 40 5 KKBBRN Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)cccc1[N+](=O)[O-] ZINC000408838060 1070047368 /nfs/dbraw/zinc/04/73/68/1070047368.db2.gz QYZSDYLXOGOYRF-PKYOQBLNSA-N 0 0 594.624 5.490 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408841560 1070045383 /nfs/dbraw/zinc/04/53/83/1070045383.db2.gz LGWBZVSYKLFHLU-QVFHAIOXSA-N 0 0 672.852 6.469 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000408842026 1070045793 /nfs/dbraw/zinc/04/57/93/1070045793.db2.gz NIUMIJCKPXVXQZ-MZANGIHLSA-N 0 0 601.637 5.304 40 5 KKBBRN O=c1/c(=C/c2cccc(OCc3ccccc3Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408847253 1070055518 /nfs/dbraw/zinc/05/55/18/1070055518.db2.gz ULVWERPKCUJRDB-FVUNBJOLSA-N 0 0 606.103 6.459 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408869084 1070090860 /nfs/dbraw/zinc/09/08/60/1070090860.db2.gz RGSRLKLJISRJNP-FMCGGJTJSA-N 0 0 727.455 6.871 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)cc1 ZINC000408882018 1070125136 /nfs/dbraw/zinc/12/51/36/1070125136.db2.gz OSULYZHEJOXPRO-GRSHGNNSSA-N 0 0 501.879 5.322 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408916748 1070221755 /nfs/dbraw/zinc/22/17/55/1070221755.db2.gz GWCNCEOWXGXLPT-AFUMVMLFSA-N 0 0 528.546 6.051 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408919721 1070222637 /nfs/dbraw/zinc/22/26/37/1070222637.db2.gz BROPRXQVEAFOCN-ZSJKCPIUSA-N 0 0 610.113 5.730 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408920586 1070227034 /nfs/dbraw/zinc/22/70/34/1070227034.db2.gz JOMZAHFFQVTHJM-UHFFFAOYSA-N 0 0 533.631 5.721 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408931711 1070244702 /nfs/dbraw/zinc/24/47/02/1070244702.db2.gz PHGNRRCBNXCUPT-MSXFZWOLSA-N 0 0 612.458 5.928 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408928786 1070253262 /nfs/dbraw/zinc/25/32/62/1070253262.db2.gz JCGSKMURZJPMAL-LPYMAVHISA-N 0 0 552.381 5.428 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408933166 1070264871 /nfs/dbraw/zinc/26/48/71/1070264871.db2.gz IAIWPYJDAPJPPK-MKTOWPBFSA-N 0 0 867.456 5.512 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000408933610 1070266409 /nfs/dbraw/zinc/26/64/09/1070266409.db2.gz BOKCBZNIAHAKCI-ORVZPOCUSA-N 0 0 652.523 5.435 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408933846 1070267566 /nfs/dbraw/zinc/26/75/66/1070267566.db2.gz AKLWLANILUSUQR-UNDLXJOSSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934835 1070270744 /nfs/dbraw/zinc/27/07/44/1070270744.db2.gz DICXDDGELMHKIS-JNNIQXQOSA-N 0 0 694.162 5.355 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408940999 1070287550 /nfs/dbraw/zinc/28/75/50/1070287550.db2.gz PAHXULSKAGTMKP-ITNPZBTBSA-N 0 0 769.614 5.686 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947499 1070311963 /nfs/dbraw/zinc/31/19/63/1070311963.db2.gz NSVKSNSHVJRCPW-WXKAHTKJSA-N 0 0 681.170 6.413 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n21 ZINC000408958872 1070320840 /nfs/dbraw/zinc/32/08/40/1070320840.db2.gz XEWFCASUHVYICK-BXMULHQWSA-N 0 0 708.587 5.454 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408980569 1070338300 /nfs/dbraw/zinc/33/83/00/1070338300.db2.gz FQYXFMWDAWGYTK-WGJPBTIMSA-N 0 0 716.599 6.738 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 ZINC000408978482 1070343353 /nfs/dbraw/zinc/34/33/53/1070343353.db2.gz MHDWFNOVCJMTSA-YCMYYBHNSA-N 0 0 692.750 5.387 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000408986200 1070347819 /nfs/dbraw/zinc/34/78/19/1070347819.db2.gz OMWGZQQOWMLTSV-MNGMOJQWSA-N 0 0 634.917 5.444 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2s1 ZINC000408989319 1070362468 /nfs/dbraw/zinc/36/24/68/1070362468.db2.gz TXZOBXNQSBIMBB-UHFFFAOYSA-N 0 0 793.107 8.356 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408996957 1070366111 /nfs/dbraw/zinc/36/61/11/1070366111.db2.gz FQCVQCDRWYSCPK-CBYYHRJHSA-N 0 0 608.470 5.037 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1C ZINC000408993077 1070367515 /nfs/dbraw/zinc/36/75/15/1070367515.db2.gz BZDAKHFUELMCRT-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999590 1070374783 /nfs/dbraw/zinc/37/47/83/1070374783.db2.gz RJDQCISWZONASP-DFXMODJXSA-N 0 0 694.747 6.266 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000102 1070375420 /nfs/dbraw/zinc/37/54/20/1070375420.db2.gz MNFBWOFBJLHLSF-RWTNITNYSA-N 0 0 628.888 5.382 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000409002737 1070379667 /nfs/dbraw/zinc/37/96/67/1070379667.db2.gz PNXISAPFOBVDMZ-NDEPHWFRSA-N 0 0 513.638 5.683 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000409003525 1070385240 /nfs/dbraw/zinc/38/52/40/1070385240.db2.gz SMHFKPPXVWNJKD-MHZLTWQESA-N 0 0 601.453 5.643 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409021053 1070397412 /nfs/dbraw/zinc/39/74/12/1070397412.db2.gz XIBZYOMJSXOZBE-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409030172 1070412363 /nfs/dbraw/zinc/41/23/63/1070412363.db2.gz CPKPPCPWHMQAEV-FQKMCRJQSA-N 0 0 608.072 5.407 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409031558 1070416616 /nfs/dbraw/zinc/41/66/16/1070416616.db2.gz HDRWXUNZOUYSHS-LMSRTUJASA-N 0 0 807.404 5.495 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039701 1070432155 /nfs/dbraw/zinc/43/21/55/1070432155.db2.gz XFVDQIRRIRQECU-SELCLYCASA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036299 1070436942 /nfs/dbraw/zinc/43/69/42/1070436942.db2.gz QTZRJLNGFQFJSY-OKMHPQNISA-N 0 0 799.640 5.695 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037402 1070439813 /nfs/dbraw/zinc/43/98/13/1070439813.db2.gz NLFWHONHUHYFRU-BXMULHQWSA-N 0 0 848.510 6.448 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409056580 1070469517 /nfs/dbraw/zinc/46/95/17/1070469517.db2.gz HKYNYQXNMPVWGI-XKZIYDEJSA-N 0 0 541.379 6.186 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409069265 1070481153 /nfs/dbraw/zinc/48/11/53/1070481153.db2.gz VJPXBIKZTQXPRB-AWQFTUOYSA-N 0 0 558.772 5.696 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082630 1070506601 /nfs/dbraw/zinc/50/66/01/1070506601.db2.gz MRORZNAULYTFNS-JBDHCHCMSA-N 0 0 664.534 5.057 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409097998 1070531075 /nfs/dbraw/zinc/53/10/75/1070531075.db2.gz IBRLJLBZLIGEKO-PSAPEEBNSA-N 0 0 657.148 6.087 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409102036 1070534971 /nfs/dbraw/zinc/53/49/71/1070534971.db2.gz ZQLXQZBEZVKWFU-DDBFQISPSA-N 0 0 628.776 5.480 40 5 KKBBRN Cc1cccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 ZINC000409117627 1070543729 /nfs/dbraw/zinc/54/37/29/1070543729.db2.gz LRDIKPRMIQDPIF-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122594 1070548063 /nfs/dbraw/zinc/54/80/63/1070548063.db2.gz ACXBBVUMQOTLBD-OEAKJJBVSA-N 0 0 531.030 6.843 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 ZINC000409132724 1070551273 /nfs/dbraw/zinc/55/12/73/1070551273.db2.gz JUOYUYCUXLJLHK-HHHXNRCGSA-N 0 0 518.400 7.263 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409130623 1070557331 /nfs/dbraw/zinc/55/73/31/1070557331.db2.gz INIRELQXMZFUKY-MHZLTWQESA-N 0 0 501.564 5.489 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 ZINC000409148173 1070566799 /nfs/dbraw/zinc/56/67/99/1070566799.db2.gz XNCKTBBVLAPUAE-HZHRSRAPSA-N 0 0 528.508 7.075 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409150746 1070568995 /nfs/dbraw/zinc/56/89/95/1070568995.db2.gz DNQLFCAPSXSDNZ-OEAKJJBVSA-N 0 0 584.006 6.140 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409153474 1070577821 /nfs/dbraw/zinc/57/78/21/1070577821.db2.gz IBBZAZYWAMHDMB-FSJBWODESA-N 0 0 603.531 6.098 40 5 KKBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1[N+](=O)[O-] ZINC000409154569 1070578164 /nfs/dbraw/zinc/57/81/64/1070578164.db2.gz KJZLHSMDBZZEIG-LJQANCHMSA-N 0 0 537.429 5.186 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409154611 1070578317 /nfs/dbraw/zinc/57/83/17/1070578317.db2.gz ORGNJQSBGWRVJT-WSDLNYQXSA-N 0 0 564.532 5.287 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409152634 1070577102 /nfs/dbraw/zinc/57/71/02/1070577102.db2.gz FQRPYHSJQINGJU-UUYOSTAYSA-N 0 0 589.445 5.670 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409169935 1070579849 /nfs/dbraw/zinc/57/98/49/1070579849.db2.gz RUFBUSCSEXLXLM-LSFURLLWSA-N 0 0 714.856 7.283 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409163573 1070582169 /nfs/dbraw/zinc/58/21/69/1070582169.db2.gz UIMAVLOXJUIVMH-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl ZINC000409167204 1070585167 /nfs/dbraw/zinc/58/51/67/1070585167.db2.gz HVZDPJDJVACBFH-YSURURNPSA-N 0 0 690.912 6.060 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409169151 1070586711 /nfs/dbraw/zinc/58/67/11/1070586711.db2.gz PDPQJYMPKXPUMO-SRZZPIQSSA-N 0 0 590.397 6.013 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409171488 1070587284 /nfs/dbraw/zinc/58/72/84/1070587284.db2.gz CCVZDEPJCMSDJW-MTJSOVHGSA-N 0 0 604.891 6.837 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409178574 1070593434 /nfs/dbraw/zinc/59/34/34/1070593434.db2.gz GVZPWLHULQIBKQ-DHRITJCHSA-N 0 0 592.586 5.986 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409181984 1070599687 /nfs/dbraw/zinc/59/96/87/1070599687.db2.gz HIDSCTVUGVPTES-OYKKKHCWSA-N 0 0 596.459 6.174 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c(C)c1 ZINC000409181278 1070598496 /nfs/dbraw/zinc/59/84/96/1070598496.db2.gz ANKFROZOBUBJIW-WGARJPEWSA-N 0 0 540.601 5.890 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409181177 1070598619 /nfs/dbraw/zinc/59/86/19/1070598619.db2.gz YNTMIXRCUDJJEM-HHHXNRCGSA-N 0 0 570.941 5.838 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000409179150 1070594805 /nfs/dbraw/zinc/59/48/05/1070594805.db2.gz QBVKMPBFNKJKJN-MUUNZHRXSA-N 0 0 584.968 6.147 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409182502 1070600214 /nfs/dbraw/zinc/60/02/14/1070600214.db2.gz LSUFUKCCPNJNAX-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409182534 1070600817 /nfs/dbraw/zinc/60/08/17/1070600817.db2.gz MHFZRZBHQAFJLN-UHFFFAOYSA-N 0 0 553.483 5.761 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl ZINC000409197344 1070618035 /nfs/dbraw/zinc/61/80/35/1070618035.db2.gz CFADLFKHPNCVSR-NHDPSOOVSA-N 0 0 582.978 5.287 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189350 1070620281 /nfs/dbraw/zinc/62/02/81/1070620281.db2.gz JURDGEOUKUQBOA-ZDLGFXPLSA-N 0 0 505.733 6.512 40 5 KKBBRN COCCN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409205488 1070631757 /nfs/dbraw/zinc/63/17/57/1070631757.db2.gz NVGBMFMOIOULAI-RQZCQDPDSA-N 0 0 547.305 5.851 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409209545 1070633451 /nfs/dbraw/zinc/63/34/51/1070633451.db2.gz GITUEBRRDLNMSM-SRZZPIQSSA-N 0 0 545.798 6.831 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409225735 1070643130 /nfs/dbraw/zinc/64/31/30/1070643130.db2.gz KQTIBDVPZZMDDJ-WSDLNYQXSA-N 0 0 599.381 5.188 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc(Br)cc1 ZINC000409223734 1070650969 /nfs/dbraw/zinc/65/09/69/1070650969.db2.gz ILNHFUHNTIRFGR-KEBDBYFISA-N 0 0 547.770 6.190 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409270054 1070704862 /nfs/dbraw/zinc/70/48/62/1070704862.db2.gz FNOVCTUJJOUVOA-AFUMVMLFSA-N 0 0 552.992 6.145 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273094 1070712128 /nfs/dbraw/zinc/71/21/28/1070712128.db2.gz PRRGULNIDMEQOV-YDZHTSKRSA-N 0 0 519.491 5.001 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000409273399 1070712524 /nfs/dbraw/zinc/71/25/24/1070712524.db2.gz QPBVJEUQAFUJMJ-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409271843 1070708825 /nfs/dbraw/zinc/70/88/25/1070708825.db2.gz DBBLCFGSDGAUMG-ZMOGYAJESA-N 0 0 538.965 5.755 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F ZINC000409272414 1070710097 /nfs/dbraw/zinc/71/00/97/1070710097.db2.gz GPTKYZGXGCXFMQ-ZVBGSRNCSA-N 0 0 556.459 5.249 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409273563 1070712717 /nfs/dbraw/zinc/71/27/17/1070712717.db2.gz JWFNCUWWHJGCNQ-OGLMXYFKSA-N 0 0 583.622 6.401 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccc(F)cc1 ZINC000408880246 1070788844 /nfs/dbraw/zinc/78/88/44/1070788844.db2.gz FPKLRVZNMXCMHW-NHDPSOOVSA-N 0 0 665.291 6.513 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1cccc(Br)c1 ZINC000409337404 1070858621 /nfs/dbraw/zinc/85/86/21/1070858621.db2.gz TWMOMEYSQFDXEZ-HXUWFJFHSA-N 0 0 500.374 5.653 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409350507 1070868714 /nfs/dbraw/zinc/86/87/14/1070868714.db2.gz RUGWDZBOSNCBFH-OEAKJJBVSA-N 0 0 504.568 5.243 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)sc2nc3ccccc3n12 ZINC000408903367 1070904637 /nfs/dbraw/zinc/90/46/37/1070904637.db2.gz RRILZHODYUSXRM-JAIQZWGSSA-N 0 0 681.249 5.153 40 5 KKBBRN O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409379415 1070905766 /nfs/dbraw/zinc/90/57/66/1070905766.db2.gz XCWZLZLAASXSBH-UUYOSTAYSA-N 0 0 541.944 5.641 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408902303 1070912567 /nfs/dbraw/zinc/91/25/67/1070912567.db2.gz HFEFBKWTLJNFQO-JAIQZWGSSA-N 0 0 587.249 5.469 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409399474 1070913378 /nfs/dbraw/zinc/91/33/78/1070913378.db2.gz JADXECPZZKWEFH-WSVATBPTSA-N 0 0 625.215 5.716 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408916879 1070995395 /nfs/dbraw/zinc/99/53/95/1070995395.db2.gz HWPZSSFHPJNUGP-WYMPLXKRSA-N 0 0 648.329 7.334 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408916827 1070998422 /nfs/dbraw/zinc/99/84/22/1070998422.db2.gz ZLIUBUJMDPOMSY-SWBDNCPRSA-N 0 0 770.658 6.593 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916529 1071000833 /nfs/dbraw/zinc/00/08/33/1071000833.db2.gz DVCYAKXHQKRZBC-UFFVCSGVSA-N 0 0 628.715 8.133 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916276 1071001296 /nfs/dbraw/zinc/00/12/96/1071001296.db2.gz AUXNJAYYVFCRCE-CVKSISIWSA-N 0 0 575.440 7.326 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408913264 1071019414 /nfs/dbraw/zinc/01/94/14/1071019414.db2.gz SKZSEQFUZWDGDE-GSTVVXAASA-N 0 0 666.756 5.425 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408910787 1071066182 /nfs/dbraw/zinc/06/61/82/1071066182.db2.gz KWDUXHIMVVWABE-DUCIMOQJSA-N 0 0 679.751 5.846 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408926516 1071071996 /nfs/dbraw/zinc/07/19/96/1071071996.db2.gz UPBLTVJXUAWQCB-QARYAGPDSA-N 0 0 610.113 5.730 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 ZINC000408926939 1071070451 /nfs/dbraw/zinc/07/04/51/1071070451.db2.gz VATIHWOLGSVQCS-VYQNWNTASA-N 0 0 726.880 7.942 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408924975 1071080355 /nfs/dbraw/zinc/08/03/55/1071080355.db2.gz RYYSUSDLPNIEJY-SUAMDDGLSA-N 0 0 605.694 5.086 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000408924864 1071081542 /nfs/dbraw/zinc/08/15/42/1071081542.db2.gz RNOFNXJDVKHCAR-MFCBUNOESA-N 0 0 589.695 5.385 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408921524 1071094541 /nfs/dbraw/zinc/09/45/41/1071094541.db2.gz CNBOYGPHUQDCGO-VSQRRKBNSA-N 0 0 666.756 5.425 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408920493 1071102117 /nfs/dbraw/zinc/10/21/17/1071102117.db2.gz JJOYVNIJIKHQIT-KFOJKGMOSA-N 0 0 652.729 5.035 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408918693 1071131304 /nfs/dbraw/zinc/13/13/04/1071131304.db2.gz NUSIQGWGIZBVSE-IMUCPKNRSA-N 0 0 714.594 6.210 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408917478 1071146442 /nfs/dbraw/zinc/14/64/42/1071146442.db2.gz VHCCZWLGUROAOM-LSHDLFTRSA-N 0 0 579.845 7.379 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408917556 1071147762 /nfs/dbraw/zinc/14/77/62/1071147762.db2.gz XBFCHSRNQNGROB-YDZHTSKRSA-N 0 0 659.458 5.770 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917377 1071149091 /nfs/dbraw/zinc/14/90/91/1071149091.db2.gz SHSHVNNYODGZRZ-CVKSISIWSA-N 0 0 541.541 6.472 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408929441 1071170169 /nfs/dbraw/zinc/17/01/69/1071170169.db2.gz ZLAYXOBPEHPROL-LPYMAVHISA-N 0 0 508.328 5.029 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408927517 1071195098 /nfs/dbraw/zinc/19/50/98/1071195098.db2.gz PTZNJPUCOYHRMR-ZGGSADGGSA-N 0 0 684.730 5.576 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937020 1071203847 /nfs/dbraw/zinc/20/38/47/1071203847.db2.gz JCLVENWGPLVQDM-ITNPZBTBSA-N 0 0 722.614 5.844 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934831 1071229077 /nfs/dbraw/zinc/22/90/77/1071229077.db2.gz DHDAODXUVCIRJP-JREUYWDSSA-N 0 0 717.203 7.103 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934945 1071231048 /nfs/dbraw/zinc/23/10/48/1071231048.db2.gz DRVNPPCZADIMDW-SOJUGJLBSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933534 1071239893 /nfs/dbraw/zinc/23/98/93/1071239893.db2.gz BDRSJRGPXMETGI-OAJVPKOVSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933274 1071243648 /nfs/dbraw/zinc/24/36/48/1071243648.db2.gz AFIBVABTQAVYHB-JNNIQXQOSA-N 0 0 694.162 5.355 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408933086 1071245012 /nfs/dbraw/zinc/24/50/12/1071245012.db2.gz HIOJYJKFGNONHW-NHDPSOOVSA-N 0 0 572.799 5.691 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932446 1071253001 /nfs/dbraw/zinc/25/30/01/1071253001.db2.gz XCTACHQCAYOYIK-MXAYSNPKSA-N 0 0 626.485 6.318 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939945 1071319784 /nfs/dbraw/zinc/31/97/84/1071319784.db2.gz NQNYZIHBTBVLBP-SZYVSPPHSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408938246 1071333922 /nfs/dbraw/zinc/33/39/22/1071333922.db2.gz HLCJMCRPCCBEOO-UONGPDOGSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937532 1071340572 /nfs/dbraw/zinc/34/05/72/1071340572.db2.gz GTTPIIOOWCJMRS-JNNIQXQOSA-N 0 0 785.613 5.306 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684147 1071345659 /nfs/dbraw/zinc/34/56/59/1071345659.db2.gz MWJVVQRDPPMKQW-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408684736 1071358418 /nfs/dbraw/zinc/35/84/18/1071358418.db2.gz NWLLYIBATXJUDF-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2[N+](=O)[O-])cc1 ZINC000408949888 1071358812 /nfs/dbraw/zinc/35/88/12/1071358812.db2.gz SMWYAYQZKNTONC-BCQKFBGJSA-N 0 0 766.623 5.242 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2[N+](=O)[O-])cc1 ZINC000408949889 1071358985 /nfs/dbraw/zinc/35/89/85/1071358985.db2.gz SMWYAYQZKNTONC-MSXCPPJZSA-N 0 0 766.623 5.242 40 5 KKBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408685070 1071356927 /nfs/dbraw/zinc/35/69/27/1071356927.db2.gz OMSIZMKSGTVCHU-UHFFFAOYSA-N 0 0 597.194 5.753 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408949208 1071361624 /nfs/dbraw/zinc/36/16/24/1071361624.db2.gz SFDMVMJIANCMBY-NFYDWNOTSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408948427 1071364750 /nfs/dbraw/zinc/36/47/50/1071364750.db2.gz RNQCIYHFONQHRI-USPXUGGPSA-N 0 0 763.450 6.372 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947498 1071371590 /nfs/dbraw/zinc/37/15/90/1071371590.db2.gz NSVKSNSHVJRCPW-ACHQHTMYSA-N 0 0 681.170 6.413 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408682488 1071369829 /nfs/dbraw/zinc/36/98/29/1071369829.db2.gz JHDCPXZMPDJJAZ-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947628 1071370166 /nfs/dbraw/zinc/37/01/66/1071370166.db2.gz OBLUVTOQWDMBCN-FVUNBJOLSA-N 0 0 851.517 7.127 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408681672 1071373106 /nfs/dbraw/zinc/37/31/06/1071373106.db2.gz IDLWIVVKKUBXJJ-UHFFFAOYSA-N 0 0 618.054 6.825 40 5 KKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1Cl ZINC000408694321 1071388392 /nfs/dbraw/zinc/38/83/92/1071388392.db2.gz IZRZOUUWPPKMNE-UHFFFAOYSA-N 0 0 512.751 5.819 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n21 ZINC000408953067 1071397756 /nfs/dbraw/zinc/39/77/56/1071397756.db2.gz ONEHONHAZRWNOX-KVDRYIPSSA-N 0 0 707.386 6.433 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689768 1071411072 /nfs/dbraw/zinc/41/10/72/1071411072.db2.gz ZARGMHCNIKEKEF-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975411 1071476112 /nfs/dbraw/zinc/47/61/12/1071476112.db2.gz JUARXRAULHDROT-LMSRTUJASA-N 0 0 638.496 5.128 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000408712383 1071485002 /nfs/dbraw/zinc/48/50/02/1071485002.db2.gz UONKKNSIFYQVBZ-UHFFFAOYSA-N 0 0 524.382 5.129 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408985555 1071499354 /nfs/dbraw/zinc/49/93/54/1071499354.db2.gz NKQPYGLAVDXUHH-JBVGNYNVSA-N 0 0 675.166 6.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985216 1071501776 /nfs/dbraw/zinc/50/17/76/1071501776.db2.gz JZXNWZWEGBAMST-QUNTYYFUSA-N 0 0 881.483 5.902 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408984922 1071504718 /nfs/dbraw/zinc/50/47/18/1071504718.db2.gz NINSMTKUWFXOOA-WGJPBTIMSA-N 0 0 686.573 6.730 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408984756 1071505169 /nfs/dbraw/zinc/50/51/69/1071505169.db2.gz JWRUAZOKCFKMNX-GBIJUZDQSA-N 0 0 612.063 5.757 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000408710442 1071508240 /nfs/dbraw/zinc/50/82/40/1071508240.db2.gz CFSOWXBVBNCKCF-UHFFFAOYSA-N 0 0 549.568 5.849 40 5 KKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)s4)c3)sc2c1 ZINC000408710457 1071508457 /nfs/dbraw/zinc/50/84/57/1071508457.db2.gz HEIKOEXJSGPYFO-UHFFFAOYSA-N 0 0 550.021 6.794 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408720042 1071510339 /nfs/dbraw/zinc/51/03/39/1071510339.db2.gz JMRZVKHSYCQBJE-AGYDLCDTSA-N 0 0 584.220 5.013 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000408720457 1071512359 /nfs/dbraw/zinc/51/23/59/1071512359.db2.gz PRMPKDWDMZFUCI-QKENHZOPSA-N 0 0 506.558 5.619 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408726298 1071513468 /nfs/dbraw/zinc/51/34/68/1071513468.db2.gz MWQCJJDJFQTIJA-YIECNSLDSA-N 0 0 630.078 5.782 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408983658 1071516598 /nfs/dbraw/zinc/51/65/98/1071516598.db2.gz GXVSFRBZFKQSDX-LLXISZFLSA-N 0 0 726.605 6.194 40 5 KKBBRN O=C(CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408981539 1071532501 /nfs/dbraw/zinc/53/25/01/1071532501.db2.gz IDZVEJPLUZQITR-UHFFFAOYSA-N 0 0 674.833 8.552 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408981606 1071533191 /nfs/dbraw/zinc/53/31/91/1071533191.db2.gz IJJJFEFZFOGVBP-CTHKJOMYSA-N 0 0 672.115 5.774 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000408720257 1071545060 /nfs/dbraw/zinc/54/50/60/1071545060.db2.gz KLPQNXYFYHXWMR-ITWZUIQWSA-N 0 0 536.584 5.709 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000408720231 1071545161 /nfs/dbraw/zinc/54/51/61/1071545161.db2.gz JSALIIMZTHFSPB-KNWZFJHESA-N 0 0 541.003 6.354 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733681 1071549719 /nfs/dbraw/zinc/54/97/19/1071549719.db2.gz ZMIGDDORMULCSD-DQARITGZSA-N 0 0 664.534 5.166 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733709 1071550152 /nfs/dbraw/zinc/55/01/52/1071550152.db2.gz OSBGVXHYNCKCNN-LRAMOIDDSA-N 0 0 668.522 5.055 40 5 KKBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408736841 1071553599 /nfs/dbraw/zinc/55/35/99/1071553599.db2.gz JALCJLRSGLBYSP-MHZLTWQESA-N 0 0 547.658 5.583 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733576 1071551093 /nfs/dbraw/zinc/55/10/93/1071551093.db2.gz KTLLSDZGRLGNIK-VPHSIRQSSA-N 0 0 630.078 5.782 40 5 KKBBRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000408736594 1071555674 /nfs/dbraw/zinc/55/56/74/1071555674.db2.gz DGZRROJXOPRDQP-VWLOTQADSA-N 0 0 514.607 5.630 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735753 1071559670 /nfs/dbraw/zinc/55/96/70/1071559670.db2.gz WWRPDUGHKZDVND-FVUNBJOLSA-N 0 0 673.744 5.092 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735255 1071561300 /nfs/dbraw/zinc/56/13/00/1071561300.db2.gz OZVFOTCVYRGQTJ-BXMULHQWSA-N 0 0 783.610 5.976 40 5 KKBBRN COc1cc([C@@H]2N=C(SCc3ccc([N+](=O)[O-])cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408993600 1071564940 /nfs/dbraw/zinc/56/49/40/1071564940.db2.gz WRGHCWIFVFAKPQ-VWLOTQADSA-N 0 0 502.596 5.758 40 5 KKBBRN COc1ccccc1N1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c32)C1=O ZINC000408993438 1071565968 /nfs/dbraw/zinc/56/59/68/1071565968.db2.gz CWOVIGMEVMCIAX-UHFFFAOYSA-N 0 0 546.377 6.680 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408993231 1071566436 /nfs/dbraw/zinc/56/64/36/1071566436.db2.gz CXDPNPAYWMKXMI-DJPQNNMESA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734274 1071566592 /nfs/dbraw/zinc/56/65/92/1071566592.db2.gz VZXFJWYCERHNCL-XWJRCALBSA-N 0 0 672.897 5.111 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(C35CC6CC(CC(C6)C3)C5)cc2)C4=O)cc1C ZINC000408993150 1071567716 /nfs/dbraw/zinc/56/77/16/1071567716.db2.gz CJTPNIQUWPRANL-UHFFFAOYSA-N 0 0 650.573 9.139 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408992928 1071568330 /nfs/dbraw/zinc/56/83/30/1071568330.db2.gz UDVOQSOCJOFLEQ-NXYYLBPMSA-N 0 0 678.679 5.553 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408993194 1071568337 /nfs/dbraw/zinc/56/83/37/1071568337.db2.gz VCFOEWGKSXFDMP-UHFFFAOYSA-N 0 0 573.403 6.630 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733949 1071569019 /nfs/dbraw/zinc/56/90/19/1071569019.db2.gz SUKQEBJBYMTRST-OKMHPQNISA-N 0 0 887.490 7.063 40 5 KKBBRN O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408991323 1071581031 /nfs/dbraw/zinc/58/10/31/1071581031.db2.gz NKQBNAVMWPNXIH-UHFFFAOYSA-N 0 0 556.669 7.125 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733020 1071576743 /nfs/dbraw/zinc/57/67/43/1071576743.db2.gz CYLBGUOFWDRMRY-UUGOHJJBSA-N 0 0 725.006 7.506 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732703 1071577805 /nfs/dbraw/zinc/57/78/05/1071577805.db2.gz XPROLDQACWHRRA-QTKIFTFOSA-N 0 0 794.839 6.679 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408732518 1071578205 /nfs/dbraw/zinc/57/82/05/1071578205.db2.gz WFECYPFAZPKODU-UPWSPCOFSA-N 0 0 664.534 5.166 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccccc1 ZINC000408732375 1071578752 /nfs/dbraw/zinc/57/87/52/1071578752.db2.gz QIBGKYGNJUNOOG-HXVUFMGFSA-N 0 0 530.536 5.578 40 5 KKBBRN O=C(Oc1ccccc1)C(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Oc1ccccc1 ZINC000408732034 1071579549 /nfs/dbraw/zinc/57/95/49/1071579549.db2.gz OIODXBYGSDBFAC-UHFFFAOYSA-N 0 0 606.634 8.314 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732045 1071579652 /nfs/dbraw/zinc/57/96/52/1071579652.db2.gz OMTQCHKIACTWTR-AMQCUNCASA-N 0 0 665.724 5.652 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccccc1 ZINC000408732055 1071579682 /nfs/dbraw/zinc/57/96/82/1071579682.db2.gz ORUVRULLMUKRTM-COMWGTSQSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731906 1071580116 /nfs/dbraw/zinc/58/01/16/1071580116.db2.gz QRCPCKSQPNOVAS-AREMUKBSSA-N 0 0 533.606 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408991239 1071583096 /nfs/dbraw/zinc/58/30/96/1071583096.db2.gz ZKQSLHMXMWDHDG-FVUNBJOLSA-N 0 0 673.744 5.092 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)C=C1c3c(ccc4ccccc43)OC(=O)[C@@H]12 ZINC000408730741 1071585511 /nfs/dbraw/zinc/58/55/11/1071585511.db2.gz HLWNVNFYYGWMFE-WTEOMTDASA-N 0 0 550.954 5.923 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)C=C1c3c(ccc4ccccc43)OC(=O)[C@H]12 ZINC000408730737 1071585563 /nfs/dbraw/zinc/58/55/63/1071585563.db2.gz HLWNVNFYYGWMFE-PLOYFGMMSA-N 0 0 550.954 5.923 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 ZINC000408730800 1071585591 /nfs/dbraw/zinc/58/55/91/1071585591.db2.gz HVWKTSBXFLPKIR-IZVMYAONSA-N 0 0 576.561 5.287 40 5 KKBBRN Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408990680 1071588194 /nfs/dbraw/zinc/58/81/94/1071588194.db2.gz LJGREIDPWGAJBO-UHFFFAOYSA-N 0 0 516.604 6.473 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729274 1071592555 /nfs/dbraw/zinc/59/25/55/1071592555.db2.gz DDWLJEICIJFHBE-UPWSPCOFSA-N 0 0 650.496 6.533 40 5 KKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408729381 1071591717 /nfs/dbraw/zinc/59/17/17/1071591717.db2.gz ZFSUIOQLAKLRPN-SKGAXEKPSA-N 0 0 568.221 5.313 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000408729661 1071591764 /nfs/dbraw/zinc/59/17/64/1071591764.db2.gz BUJYPBHBXXAXMH-VQCLQPKNSA-N 0 0 560.562 5.587 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3c(ccc4ccccc43)OC(=O)[C@H]12 ZINC000408729292 1071593080 /nfs/dbraw/zinc/59/30/80/1071593080.db2.gz AUVPFNZLIYHVFU-CGWRWYHMSA-N 0 0 594.963 5.652 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3c(ccc4ccccc43)OC(=O)[C@@H]12 ZINC000408729295 1071593122 /nfs/dbraw/zinc/59/31/22/1071593122.db2.gz AUVPFNZLIYHVFU-FDHJMSBKSA-N 0 0 594.963 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729322 1071593523 /nfs/dbraw/zinc/59/35/23/1071593523.db2.gz DPJDNTGZSNTUCG-AWPXEQHHSA-N 0 0 720.587 6.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729103 1071594024 /nfs/dbraw/zinc/59/40/24/1071594024.db2.gz CXGPYZPWVAQLHI-UPWSPCOFSA-N 0 0 661.048 5.788 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728815 1071595254 /nfs/dbraw/zinc/59/52/54/1071595254.db2.gz UQAQSNHNHQRWFX-TUUBTQOTSA-N 0 0 633.090 5.767 40 5 KKBBRN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988594 1071603692 /nfs/dbraw/zinc/60/36/92/1071603692.db2.gz DYFMMBXAELSNAD-UHFFFAOYSA-N 0 0 639.784 8.563 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738794 1071607090 /nfs/dbraw/zinc/60/70/90/1071607090.db2.gz OWJFBBHPMCXVRP-LMSRTUJASA-N 0 0 638.496 5.128 40 5 KKBBRN Cc1cc(I)cc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408738174 1071610444 /nfs/dbraw/zinc/61/04/44/1071610444.db2.gz QFHZMJZVAVTCOZ-HHHXNRCGSA-N 0 0 633.486 6.314 40 5 KKBBRN Cc1cc(I)cc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408738177 1071610488 /nfs/dbraw/zinc/61/04/88/1071610488.db2.gz QFHZMJZVAVTCOZ-MHZLTWQESA-N 0 0 633.486 6.314 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408995720 1071621598 /nfs/dbraw/zinc/62/15/98/1071621598.db2.gz MZBDSEMNNDGUFA-MDINZUHSSA-N 0 0 691.762 5.830 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996250 1071619510 /nfs/dbraw/zinc/61/95/10/1071619510.db2.gz OZXYCGDMAGPBIU-IQPMGOHCSA-N 0 0 738.660 7.309 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408757226 1071633778 /nfs/dbraw/zinc/63/37/78/1071633778.db2.gz WJSXOKYBFVLMIH-IMUCPKNRSA-N 0 0 559.647 6.104 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756850 1071634790 /nfs/dbraw/zinc/63/47/90/1071634790.db2.gz UJCLSGWCALOKRZ-GONGWJOBSA-N 0 0 571.658 5.806 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 ZINC000408756858 1071634841 /nfs/dbraw/zinc/63/48/41/1071634841.db2.gz KBRYGPUUKMTTLX-UHFFFAOYSA-N 0 0 504.296 5.760 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408756817 1071636625 /nfs/dbraw/zinc/63/66/25/1071636625.db2.gz JWNRNZJRUWNTPK-UHSYMONFSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755739 1071642797 /nfs/dbraw/zinc/64/27/97/1071642797.db2.gz FDPLUMPSUQLIMO-GQFYKFLTSA-N 0 0 665.727 6.608 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409002095 1071642963 /nfs/dbraw/zinc/64/29/63/1071642963.db2.gz SKQRMCHTFARNPO-CBYYHRJHSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409002097 1071642967 /nfs/dbraw/zinc/64/29/67/1071642967.db2.gz SKQRMCHTFARNPO-PNZYDNNZSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409001901 1071643415 /nfs/dbraw/zinc/64/34/15/1071643415.db2.gz XPTDZVXTANSDBK-GWXNNEATSA-N 0 0 612.776 6.964 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(O)cc2)C4=O)cc1C ZINC000409001694 1071643422 /nfs/dbraw/zinc/64/34/22/1071643422.db2.gz QMUCTODJWCAQNV-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409001242 1071645970 /nfs/dbraw/zinc/64/59/70/1071645970.db2.gz OMZSXDMFFOZWAE-KMCFWPMWSA-N 0 0 915.569 7.354 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408754788 1071648348 /nfs/dbraw/zinc/64/83/48/1071648348.db2.gz IORLUZPWAWCBJE-FPWMYLJGSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408999412 1071655327 /nfs/dbraw/zinc/65/53/27/1071655327.db2.gz KVQMNTZSKWLFLP-KMCFWPMWSA-N 0 0 661.692 5.072 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408999415 1071655329 /nfs/dbraw/zinc/65/53/29/1071655329.db2.gz KVQMNTZSKWLFLP-WGJPBTIMSA-N 0 0 661.692 5.072 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408753463 1071659278 /nfs/dbraw/zinc/65/92/78/1071659278.db2.gz IXLGUFGDDTZMJH-PGNBASISSA-N 0 0 817.627 6.333 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408997543 1071664382 /nfs/dbraw/zinc/66/43/82/1071664382.db2.gz RRECZVUMDGIYMN-QZVQSRICSA-N 0 0 742.673 6.907 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408751945 1071667970 /nfs/dbraw/zinc/66/79/70/1071667970.db2.gz AOOJQVAIYNZMMJ-VZVSMJQGSA-N 0 0 626.734 6.259 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409014874 1071674574 /nfs/dbraw/zinc/67/45/74/1071674574.db2.gz QDGNBPZWDPZJMQ-UFFVCSGVSA-N 0 0 556.344 5.177 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000408750978 1071673198 /nfs/dbraw/zinc/67/31/98/1071673198.db2.gz UWQRQSUTKIJUBE-UHFFFAOYSA-N 0 0 526.393 6.060 40 5 KKBBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409010682 1071691411 /nfs/dbraw/zinc/69/14/11/1071691411.db2.gz DFNVMYYNJXRQBL-GJKZIJEQSA-N 0 0 608.716 5.139 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c(C)c1 ZINC000408748435 1071692553 /nfs/dbraw/zinc/69/25/53/1071692553.db2.gz AGQMHGHYXVWOGO-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409009493 1071695585 /nfs/dbraw/zinc/69/55/85/1071695585.db2.gz AMINFFCFAMUANX-YZSQISJMSA-N 0 0 623.087 5.221 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCc1ccccc1 ZINC000409007368 1071703108 /nfs/dbraw/zinc/70/31/08/1071703108.db2.gz PPKWIUXVROXDDQ-HAHDFKILSA-N 0 0 539.407 6.215 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCc1ccccc1 ZINC000409008242 1071700354 /nfs/dbraw/zinc/70/03/54/1071700354.db2.gz XBRKUDRXZLFNPV-HAHDFKILSA-N 0 0 539.407 6.215 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758211 1071706901 /nfs/dbraw/zinc/70/69/01/1071706901.db2.gz WVWPFWJJJVBRIL-VSQRRKBNSA-N 0 0 681.748 5.012 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(O)cc1)C3=O ZINC000408758214 1071706927 /nfs/dbraw/zinc/70/69/27/1071706927.db2.gz WWNGZIYKQUDSIN-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408757537 1071712482 /nfs/dbraw/zinc/71/24/82/1071712482.db2.gz ZMDDIMNXFUYZBG-GBIJUZDQSA-N 0 0 612.063 5.757 40 5 KKBBRN COc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1 ZINC000408757318 1071712990 /nfs/dbraw/zinc/71/29/90/1071712990.db2.gz LZVOWNCSEYGXMI-UHFFFAOYSA-N 0 0 517.335 6.295 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408766367 1071714400 /nfs/dbraw/zinc/71/44/00/1071714400.db2.gz CPKPKZLRRAFZFW-GEYGMGCISA-N 0 0 646.681 5.723 40 5 KKBBRN O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc(Br)cc1 ZINC000409022136 1071719780 /nfs/dbraw/zinc/71/97/80/1071719780.db2.gz FVWYXUKWKWYIDH-UHFFFAOYSA-N 0 0 567.395 7.279 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409021241 1071723138 /nfs/dbraw/zinc/72/31/38/1071723138.db2.gz ZJPRVYVFJKDRFQ-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409018566 1071732639 /nfs/dbraw/zinc/73/26/39/1071732639.db2.gz XFLQTDRMEBIFKR-FSJBWODESA-N 0 0 587.441 5.547 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409018623 1071731632 /nfs/dbraw/zinc/73/16/32/1071731632.db2.gz XJJWQJLCKILXND-SRZZPIQSSA-N 0 0 556.344 5.177 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409018442 1071733038 /nfs/dbraw/zinc/73/30/38/1071733038.db2.gz HJAJCTAKHVVOPQ-VPNURPJOSA-N 0 0 579.425 5.323 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409018438 1071733074 /nfs/dbraw/zinc/73/30/74/1071733074.db2.gz HJAJCTAKHVVOPQ-FVUPAENESA-N 0 0 579.425 5.323 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408761727 1071738914 /nfs/dbraw/zinc/73/89/14/1071738914.db2.gz BCGKCANACLJMHY-HNVAQCFTSA-N 0 0 691.718 5.080 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770630 1071741155 /nfs/dbraw/zinc/74/11/55/1071741155.db2.gz ZSAQYTHRURYOFS-IIMDPYCFSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000409036601 1071741195 /nfs/dbraw/zinc/74/11/95/1071741195.db2.gz RXKYGCAYQCVTOI-LCQSEVKBSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036639 1071741200 /nfs/dbraw/zinc/74/12/00/1071741200.db2.gz LCYASDHAMFZJBP-PGUFECHJSA-N 0 0 845.519 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036451 1071742548 /nfs/dbraw/zinc/74/25/48/1071742548.db2.gz LHAFVHAVFZZOLG-GAPLDZIPSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770498 1071742572 /nfs/dbraw/zinc/74/25/72/1071742572.db2.gz YEWKDLDWOOCTQI-FCVOFCDTSA-N 0 0 694.560 5.065 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408774574 1071760463 /nfs/dbraw/zinc/76/04/63/1071760463.db2.gz WMZIMQBODCNLIX-QQMBNGEASA-N 0 0 884.490 6.579 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000409033982 1071763910 /nfs/dbraw/zinc/76/39/10/1071763910.db2.gz MUCDLLXJXCHXQS-UQDCTOEPSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033788 1071765150 /nfs/dbraw/zinc/76/51/50/1071765150.db2.gz LSWQLXPLUOICAG-FZEVDNDPSA-N 0 0 674.688 5.203 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408773865 1071765818 /nfs/dbraw/zinc/76/58/18/1071765818.db2.gz SZWMZOQJJXBJCP-SMXMPJKCSA-N 0 0 749.470 7.884 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033107 1071773095 /nfs/dbraw/zinc/77/30/95/1071773095.db2.gz LARLNNCMJRHRTF-XXNQQEORSA-N 0 0 888.646 5.361 40 5 KKBBRN O=c1/c(=C\c2c(OCc3ccccc3F)ccc3ccccc32)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408772019 1071775668 /nfs/dbraw/zinc/77/56/68/1071775668.db2.gz MLPFLOYZHWDPAE-DEGAVRALSA-N 0 0 639.708 7.098 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409032806 1071776041 /nfs/dbraw/zinc/77/60/41/1071776041.db2.gz JLENZWSCXCXQBX-UDHMSBBDSA-N 0 0 729.653 6.569 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032455 1071781170 /nfs/dbraw/zinc/78/11/70/1071781170.db2.gz JAIUAGSCMGYBLS-PZMHTZOMSA-N 0 0 754.865 7.627 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408770115 1071787169 /nfs/dbraw/zinc/78/71/69/1071787169.db2.gz SXAGTBJUZREEBM-MRWVFDTMSA-N 0 0 663.668 5.491 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770217 1071788110 /nfs/dbraw/zinc/78/81/10/1071788110.db2.gz UVEMLTDFKKOKNG-CBYYHRJHSA-N 0 0 670.563 5.118 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409031126 1071792031 /nfs/dbraw/zinc/79/20/31/1071792031.db2.gz GJUARHCTRMCQHF-ASZNLBCTSA-N 0 0 634.110 5.338 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)sc2=N1 ZINC000409031130 1071792137 /nfs/dbraw/zinc/79/21/37/1071792137.db2.gz GJZDDCNCGQOROA-UPWSPCOFSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769276 1071793794 /nfs/dbraw/zinc/79/37/94/1071793794.db2.gz MJIRQBFJHQNGAM-HWMKKPCCSA-N 0 0 803.482 5.836 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408768601 1071799783 /nfs/dbraw/zinc/79/97/83/1071799783.db2.gz HOXIMUWLHRYZGP-FVUNBJOLSA-N 0 0 741.620 6.141 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029438 1071807888 /nfs/dbraw/zinc/80/78/88/1071807888.db2.gz AXZVILCSMPWQTJ-UHSYMONFSA-N 0 0 687.771 5.480 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767510 1071808706 /nfs/dbraw/zinc/80/87/06/1071808706.db2.gz LWJCMBHMFDUNBH-WAHKBFHJSA-N 0 0 672.788 6.893 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1c(Cl)cccc1Cl ZINC000409029072 1071809991 /nfs/dbraw/zinc/80/99/91/1071809991.db2.gz VIXFFDIJAYBCGF-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037485 1071822275 /nfs/dbraw/zinc/82/22/75/1071822275.db2.gz NSYSFTOLNZHXAA-DILIVHCESA-N 0 0 737.787 5.389 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037529 1071822797 /nfs/dbraw/zinc/82/27/97/1071822797.db2.gz CWULUOMXLAUNSR-CQZYKPRISA-N 0 0 827.619 5.129 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000409037587 1071820373 /nfs/dbraw/zinc/82/03/73/1071820373.db2.gz SXHPGWBWAREJNU-IWIPYMOSSA-N 0 0 524.982 6.251 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408779449 1071830954 /nfs/dbraw/zinc/83/09/54/1071830954.db2.gz WXOZRPYSTMFNIH-QQMBNGEASA-N 0 0 837.490 6.737 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408779266 1071831469 /nfs/dbraw/zinc/83/14/69/1071831469.db2.gz SYKJMVSPGARKNS-WGJPBTIMSA-N 0 0 654.144 6.881 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408778967 1071834029 /nfs/dbraw/zinc/83/40/29/1071834029.db2.gz NSZNMOJFTWDRHF-PNZYDNNZSA-N 0 0 540.439 6.098 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408779002 1071834073 /nfs/dbraw/zinc/83/40/73/1071834073.db2.gz OTHBPLGKRRBQIE-MNGMOJQWSA-N 0 0 534.819 6.433 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044781 1071845573 /nfs/dbraw/zinc/84/55/73/1071845573.db2.gz PBCVSEUNTLBZBX-SODCYNRPSA-N 0 0 718.741 5.602 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000409044682 1071847457 /nfs/dbraw/zinc/84/74/57/1071847457.db2.gz ORQOSUZDNUDKRJ-UQDCTOEPSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408786601 1071850377 /nfs/dbraw/zinc/85/03/77/1071850377.db2.gz SSQKEJYNACMXCV-FQKMCRJQSA-N 0 0 632.676 5.129 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409043299 1071860078 /nfs/dbraw/zinc/86/00/78/1071860078.db2.gz DTKXIGTTXRDVBK-CRCYZHLCSA-N 0 0 686.968 6.171 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409043203 1071861422 /nfs/dbraw/zinc/86/14/22/1071861422.db2.gz YEDHOIFRCXDGTC-CRCYZHLCSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000409042833 1071866738 /nfs/dbraw/zinc/86/67/38/1071866738.db2.gz XXIYQVYPOAXFEV-ASUJOLEISA-N 0 0 562.691 5.892 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408783791 1071868322 /nfs/dbraw/zinc/86/83/22/1071868322.db2.gz MWUXQQWHZXLSRP-NMSMXSODSA-N 0 0 670.574 7.121 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041398 1071879321 /nfs/dbraw/zinc/87/93/21/1071879321.db2.gz VONILDYXQVGBLN-XSTKMXAKSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409040414 1071890352 /nfs/dbraw/zinc/89/03/52/1071890352.db2.gz IACXQXUIHUNIOW-NQZNSAFQSA-N 0 0 772.839 6.062 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1Cl ZINC000408791265 1071891674 /nfs/dbraw/zinc/89/16/74/1071891674.db2.gz XXVCDUKKRLDUFZ-HAWPWTPLSA-N 0 0 650.156 6.858 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040036 1071894734 /nfs/dbraw/zinc/89/47/34/1071894734.db2.gz SFVKWPXIJNLPEJ-FZEVDNDPSA-N 0 0 757.059 6.497 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000409039491 1071897594 /nfs/dbraw/zinc/89/75/94/1071897594.db2.gz GUAGWUNREKUPJR-UQDCTOEPSA-N 0 0 682.549 5.526 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)sc2=N1 ZINC000409038973 1071903619 /nfs/dbraw/zinc/90/36/19/1071903619.db2.gz GBUPPRUBNUGRNH-LMSRTUJASA-N 0 0 624.502 5.592 40 5 KKBBRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408805291 1071907575 /nfs/dbraw/zinc/90/75/75/1071907575.db2.gz FWXLTPORPKFOJK-GUPBRVRKSA-N 0 0 558.680 7.236 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038580 1071907945 /nfs/dbraw/zinc/90/79/45/1071907945.db2.gz PLIPDODQMYPHCZ-OKMHPQNISA-N 0 0 722.614 5.844 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCOc1ccccc1 ZINC000409053221 1071940862 /nfs/dbraw/zinc/94/08/62/1071940862.db2.gz MRERXKQLPXNCMS-HMAPJEAMSA-N 0 0 728.302 6.498 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409052669 1071944992 /nfs/dbraw/zinc/94/49/92/1071944992.db2.gz HQNUOPOIJCEMHH-UUYOSTAYSA-N 0 0 789.773 6.184 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1Cl ZINC000409051238 1071952399 /nfs/dbraw/zinc/95/23/99/1071952399.db2.gz CCPJTNGQMPSEAS-JAIQZWGSSA-N 0 0 718.694 7.277 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409050899 1071954508 /nfs/dbraw/zinc/95/45/08/1071954508.db2.gz COOPENGYFOKDMK-QRVIBDJDSA-N 0 0 539.407 6.481 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409050797 1071955658 /nfs/dbraw/zinc/95/56/58/1071955658.db2.gz ZWEHKGTWFNZYFE-ABBNRAPFSA-N 0 0 651.539 5.049 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048349 1071972676 /nfs/dbraw/zinc/97/26/76/1071972676.db2.gz OAILWHMGOKISMZ-XSTKMXAKSA-N 0 0 674.688 5.203 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409061466 1072029429 /nfs/dbraw/zinc/02/94/29/1072029429.db2.gz XMMYYAQRUOGXGW-OYKKKHCWSA-N 0 0 689.382 6.409 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080456 1072123765 /nfs/dbraw/zinc/12/37/65/1072123765.db2.gz DKGUSCFXKUKXED-XSTKMXAKSA-N 0 0 708.587 5.455 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000409078507 1072143982 /nfs/dbraw/zinc/14/39/82/1072143982.db2.gz ICBXBADZIJBFCQ-DUCIMOQJSA-N 0 0 662.724 5.378 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409078457 1072146585 /nfs/dbraw/zinc/14/65/85/1072146585.db2.gz IEIYUFLYSKCCIP-MRWVFDTMSA-N 0 0 620.687 5.668 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409078189 1072146600 /nfs/dbraw/zinc/14/66/00/1072146600.db2.gz GXBXILSCWHXBRY-ZCWBPALNSA-N 0 0 682.549 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409077748 1072151557 /nfs/dbraw/zinc/15/15/57/1072151557.db2.gz GSDWGCSCUCIKSJ-INJWXVQMSA-N 0 0 682.549 5.445 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409087060 1072160711 /nfs/dbraw/zinc/16/07/11/1072160711.db2.gz AFWQCDBYOFQHIG-BKUYFWCQSA-N 0 0 609.340 6.431 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409077304 1072155683 /nfs/dbraw/zinc/15/56/83/1072155683.db2.gz DNBHYLVTIUMNRA-HRIDGTDGSA-N 0 0 627.078 5.704 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409086063 1072169223 /nfs/dbraw/zinc/16/92/23/1072169223.db2.gz UMXHASSDNILHCO-SAGCDJCOSA-N 0 0 711.594 6.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409085472 1072176023 /nfs/dbraw/zinc/17/60/23/1072176023.db2.gz XDAIBFNXVKNOCS-ZBXXMNEPSA-N 0 0 582.059 5.104 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409083340 1072201590 /nfs/dbraw/zinc/20/15/90/1072201590.db2.gz AEBQHOMOHHKHLK-SRZZPIQSSA-N 0 0 511.893 5.068 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409082265 1072212364 /nfs/dbraw/zinc/21/23/64/1072212364.db2.gz RWPAIERHKQQZTB-WSDLNYQXSA-N 0 0 617.371 5.409 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409081697 1072219417 /nfs/dbraw/zinc/21/94/17/1072219417.db2.gz HPIOUVFVZWTJIS-LXYLXTGBSA-N 0 0 651.122 5.808 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081755 1072219851 /nfs/dbraw/zinc/21/98/51/1072219851.db2.gz KZAMGKQKJVCWNO-MFCBUNOESA-N 0 0 701.020 6.282 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087305 1072228201 /nfs/dbraw/zinc/22/82/01/1072228201.db2.gz YHFMYYZZFJFPDD-PBKKUYBVSA-N 0 0 702.967 5.790 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087302 1072228205 /nfs/dbraw/zinc/22/82/05/1072228205.db2.gz YHFMYYZZFJFPDD-FSEOGBMLSA-N 0 0 702.967 5.790 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096285 1072234272 /nfs/dbraw/zinc/23/42/72/1072234272.db2.gz DCVXIRREWCTYNF-BMZLMQSUSA-N 0 0 696.811 5.129 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096048 1072236254 /nfs/dbraw/zinc/23/62/54/1072236254.db2.gz FHSCROCUXCYEAR-SRZZPIQSSA-N 0 0 528.348 5.977 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409093311 1072254653 /nfs/dbraw/zinc/25/46/53/1072254653.db2.gz YTPXAWYOTJTPCK-FATJQOLTSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000409094074 1072249289 /nfs/dbraw/zinc/24/92/89/1072249289.db2.gz CRGYPGOTSPHWIB-OGLMXYFKSA-N 0 0 583.622 6.401 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092524 1072261263 /nfs/dbraw/zinc/26/12/63/1072261263.db2.gz WSSBEVRURBMDBL-YNUDOMLISA-N 0 0 738.613 5.464 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409092021 1072267127 /nfs/dbraw/zinc/26/71/27/1072267127.db2.gz WXLNWFXDCLMSOG-GIJQJNRQSA-N 0 0 708.268 5.371 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409091060 1072274669 /nfs/dbraw/zinc/27/46/69/1072274669.db2.gz SQIRFLVFCCRFKO-KEBDBYFISA-N 0 0 558.772 5.696 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409090857 1072278361 /nfs/dbraw/zinc/27/83/61/1072278361.db2.gz PEHJJLLSBSOQEG-DYCDSJFESA-N 0 0 747.451 6.752 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 ZINC000409090005 1072283983 /nfs/dbraw/zinc/28/39/83/1072283983.db2.gz PRJKDPQZCZUWIT-DHRITJCHSA-N 0 0 642.484 6.019 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409089905 1072285406 /nfs/dbraw/zinc/28/54/06/1072285406.db2.gz PBPVVRDWJAZBKK-OXWVMCNISA-N 0 0 619.168 5.816 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 ZINC000409088401 1072297664 /nfs/dbraw/zinc/29/76/64/1072297664.db2.gz JDMAGHNCYSYQRG-RRLWTYHVSA-N 0 0 743.845 7.915 40 5 KKBBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000409320124 1072303544 /nfs/dbraw/zinc/30/35/44/1072303544.db2.gz PELQRZZFOLBUEX-UHFFFAOYSA-N 0 0 531.590 5.560 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000409087722 1072305382 /nfs/dbraw/zinc/30/53/82/1072305382.db2.gz ZLBLRMIGTAVLNZ-HRIDGTDGSA-N 0 0 627.078 5.704 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409102030 1072310508 /nfs/dbraw/zinc/31/05/08/1072310508.db2.gz ZQEZJAHAZPMQJX-DDIUQFJASA-N 0 0 658.802 5.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409087523 1072306187 /nfs/dbraw/zinc/30/61/87/1072306187.db2.gz CWTUQNHYRRJVOF-LCQSEVKBSA-N 0 0 583.597 5.259 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409101509 1072314816 /nfs/dbraw/zinc/31/48/16/1072314816.db2.gz XXUUQVNCURLGLD-BUELQQIUSA-N 0 0 611.767 6.572 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101074 1072317250 /nfs/dbraw/zinc/31/72/50/1072317250.db2.gz PJHXRFCGNKDQFY-GVMLUORFSA-N 0 0 611.507 5.579 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409099854 1072323361 /nfs/dbraw/zinc/32/33/61/1072323361.db2.gz MAAZYYKNPTYSKW-ZRYJBNJPSA-N 0 0 679.780 5.572 40 5 KKBBRN O=C1NC(=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409099344 1072325823 /nfs/dbraw/zinc/32/58/23/1072325823.db2.gz LHGVANXCGLNELK-KEBDBYFISA-N 0 0 701.642 6.134 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409099303 1072326731 /nfs/dbraw/zinc/32/67/31/1072326731.db2.gz KYVGFJJJGYRKCQ-ASZNLBCTSA-N 0 0 653.613 6.470 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 ZINC000409100490 1072320559 /nfs/dbraw/zinc/32/05/59/1072320559.db2.gz OBCYMDBCBZBUMI-CIAFOILYSA-N 0 0 527.942 5.582 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409099200 1072326290 /nfs/dbraw/zinc/32/62/90/1072326290.db2.gz QWHFDDNYFNCODU-FSJBWODESA-N 0 0 609.433 5.175 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099981 1072322619 /nfs/dbraw/zinc/32/26/19/1072322619.db2.gz SKUJPEQOLFQJPX-SRZZPIQSSA-N 0 0 619.799 5.928 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccccc1 ZINC000409336661 1072329494 /nfs/dbraw/zinc/32/94/94/1072329494.db2.gz USBKVMWMUCVHAX-SIZNEBELSA-N 0 0 530.536 5.578 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409336653 1072329506 /nfs/dbraw/zinc/32/95/06/1072329506.db2.gz OVBZZMIMUSOJFA-UHFFFAOYSA-N 0 0 612.696 6.184 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409098051 1072333736 /nfs/dbraw/zinc/33/37/36/1072333736.db2.gz JYAQEKALCQCZGN-RISWYLRJSA-N 0 0 652.154 5.090 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409099265 1072326907 /nfs/dbraw/zinc/32/69/07/1072326907.db2.gz KQNITWJPLUDFOF-WGOQTCKBSA-N 0 0 577.615 5.646 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c([N+](=O)[O-])c1 ZINC000409335281 1072338949 /nfs/dbraw/zinc/33/89/49/1072338949.db2.gz KXLLXYAOAVECLN-UHFFFAOYSA-N 0 0 642.722 6.193 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409334962 1072343025 /nfs/dbraw/zinc/34/30/25/1072343025.db2.gz XDZNIHABJFCCJO-FSJBWODESA-N 0 0 598.431 5.620 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000409334539 1072346272 /nfs/dbraw/zinc/34/62/72/1072346272.db2.gz STVIQBADPOZYRD-HHHXNRCGSA-N 0 0 547.633 6.300 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br ZINC000409334137 1072347578 /nfs/dbraw/zinc/34/75/78/1072347578.db2.gz UIZWFSONIAOZTB-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409104760 1072352864 /nfs/dbraw/zinc/35/28/64/1072352864.db2.gz HYPDXORKLMWWFZ-NLMYKXADSA-N 0 0 697.795 5.604 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409333140 1072355458 /nfs/dbraw/zinc/35/54/58/1072355458.db2.gz NLXSCYKFFAOHIQ-HSZRJFAPSA-N 0 0 511.987 6.626 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409103299 1072360923 /nfs/dbraw/zinc/36/09/23/1072360923.db2.gz XVEXIWLFUBYYNT-LPYMAVHISA-N 0 0 507.524 5.237 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409332430 1072361111 /nfs/dbraw/zinc/36/11/11/1072361111.db2.gz FDTVAQGAKTUIAQ-WOSHRIRTSA-N 0 0 643.718 5.083 40 5 KKBBRN O=C(Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 ZINC000409332482 1072361614 /nfs/dbraw/zinc/36/16/14/1072361614.db2.gz FUIVYUUVWVHMLJ-UHFFFAOYSA-N 0 0 569.064 5.875 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102799 1072364156 /nfs/dbraw/zinc/36/41/56/1072364156.db2.gz WBFDQTCNDOIZDI-WBRJKWTCSA-N 0 0 699.833 6.485 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000409331967 1072365175 /nfs/dbraw/zinc/36/51/75/1072365175.db2.gz IVYTUIHVLUJTGT-MUUNZHRXSA-N 0 0 561.660 6.690 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000409116966 1072372204 /nfs/dbraw/zinc/37/22/04/1072372204.db2.gz VVMQXCBFEBYUNJ-PGUFJCEWSA-N 0 0 585.660 7.544 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409113979 1072369197 /nfs/dbraw/zinc/36/91/97/1072369197.db2.gz HXRGPCPGQJBVSV-KMBIYUNPSA-N 0 0 655.958 5.688 40 5 KKBBRN Cc1cccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C ZINC000409116327 1072374011 /nfs/dbraw/zinc/37/40/11/1072374011.db2.gz UURGOXJYWKPWGE-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000409331331 1072371290 /nfs/dbraw/zinc/37/12/90/1072371290.db2.gz BADAUICRKBCYHB-UHFFFAOYSA-N 0 0 517.618 5.525 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 ZINC000409116004 1072375344 /nfs/dbraw/zinc/37/53/44/1072375344.db2.gz LDLMSHBBZZHKMX-UMSFTDKQSA-N 0 0 555.634 7.535 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409330653 1072375477 /nfs/dbraw/zinc/37/54/77/1072375477.db2.gz LKUBSBFCMYGSFH-ZMOGYAJESA-N 0 0 562.560 6.094 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000409330516 1072376237 /nfs/dbraw/zinc/37/62/37/1072376237.db2.gz BBXBWPXPDKVAMY-ZALJDRIPSA-N 0 0 749.842 6.771 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409329671 1072383432 /nfs/dbraw/zinc/38/34/32/1072383432.db2.gz GWDDOPHNCGQCST-YDZHTSKRSA-N 0 0 785.354 6.457 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c3ccccc3cc3ccccc32)N1Cc1ccccc1 ZINC000409113513 1072383813 /nfs/dbraw/zinc/38/38/13/1072383813.db2.gz BKPFVACFSWKAGZ-DHUJRADRSA-N 0 0 549.630 8.263 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409113041 1072387539 /nfs/dbraw/zinc/38/75/39/1072387539.db2.gz HTCXZHBLDHWBEM-DEOSSOPVSA-N 0 0 579.403 6.002 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328975 1072389572 /nfs/dbraw/zinc/38/95/72/1072389572.db2.gz BJIAWTVOPVOHPO-YDZHTSKRSA-N 0 0 738.354 6.615 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409111255 1072393378 /nfs/dbraw/zinc/39/33/78/1072393378.db2.gz BBBSORJSEUJKQZ-ZHGFHMGHSA-N 0 0 666.785 5.115 40 5 KKBBRN O=C1Nc2ccccc2/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409111085 1072394447 /nfs/dbraw/zinc/39/44/47/1072394447.db2.gz BOLPVFCGIZQICQ-MFOYZWKCSA-N 0 0 624.172 5.876 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409108439 1072406948 /nfs/dbraw/zinc/40/69/48/1072406948.db2.gz VVFOPLPCNLAWDL-RISWYLRJSA-N 0 0 652.154 5.090 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409108037 1072410507 /nfs/dbraw/zinc/41/05/07/1072410507.db2.gz VFKGKCSEUANOCP-NNAGEYCMSA-N 0 0 617.127 5.244 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107627 1072413660 /nfs/dbraw/zinc/41/36/60/1072413660.db2.gz WZBQMKYDIMXQGF-TWCLOYOVSA-N 0 0 692.794 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346529 1072413849 /nfs/dbraw/zinc/41/38/49/1072413849.db2.gz OSPGUORNOGTRQI-PIXWUVMMSA-N 0 0 648.535 5.356 40 5 KKBBRN COc1cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409121249 1072426045 /nfs/dbraw/zinc/42/60/45/1072426045.db2.gz UDAFSKYKFYHYTO-DEOSSOPVSA-N 0 0 609.429 6.010 40 5 KKBBRN COc1cc(Br)c([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC ZINC000409120658 1072429241 /nfs/dbraw/zinc/42/92/41/1072429241.db2.gz VDXYRWFFSCNUDU-GDLZYMKVSA-N 0 0 588.458 6.736 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409119783 1072432907 /nfs/dbraw/zinc/43/29/07/1072432907.db2.gz QINLFAUGRMAKQW-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409117903 1072443221 /nfs/dbraw/zinc/44/32/21/1072443221.db2.gz YCGIUZPKFSWROV-DHUJRADRSA-N 0 0 733.446 9.613 40 5 KKBBRN CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OC ZINC000409125741 1072458512 /nfs/dbraw/zinc/45/85/12/1072458512.db2.gz KBZYKYWCTNMNNJ-PMERELPUSA-N 0 0 523.589 6.364 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341175 1072460360 /nfs/dbraw/zinc/46/03/60/1072460360.db2.gz DDOBSVSKVPBAAZ-PIXWUVMMSA-N 0 0 725.561 5.207 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123883 1072469103 /nfs/dbraw/zinc/46/91/03/1072469103.db2.gz FJTGCFSSQAXQOG-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409123983 1072470188 /nfs/dbraw/zinc/47/01/88/1072470188.db2.gz INZPBMMLQFGLPA-HZHRSRAPSA-N 0 0 587.879 7.259 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123746 1072470345 /nfs/dbraw/zinc/47/03/45/1072470345.db2.gz HTAKJJQONUXYMI-XMMPIXPASA-N 0 0 532.626 5.217 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135416 1072484245 /nfs/dbraw/zinc/48/42/45/1072484245.db2.gz QMINELJIXMUHQL-JOCHJYFZSA-N 0 0 579.708 5.496 40 5 KKBBRN CCN(CC)C(=S)SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409337866 1072491617 /nfs/dbraw/zinc/49/16/17/1072491617.db2.gz YCXLSSBGXDHBFN-UHFFFAOYSA-N 0 0 549.725 5.234 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134065 1072495683 /nfs/dbraw/zinc/49/56/83/1072495683.db2.gz OOMJKZQPTWMPGH-OAQYLSRUSA-N 0 0 589.516 5.443 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C ZINC000409355792 1072506589 /nfs/dbraw/zinc/50/65/89/1072506589.db2.gz LHSKJAJYLWLMMU-HXUWFJFHSA-N 0 0 551.456 5.196 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355808 1072506937 /nfs/dbraw/zinc/50/69/37/1072506937.db2.gz DZCPPSMTIKWBID-SELCLYCASA-N 0 0 606.704 5.326 40 5 KKBBRN Cc1sc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)nc1-c1ccccc1 ZINC000409129474 1072519620 /nfs/dbraw/zinc/51/96/20/1072519620.db2.gz GRTGRAYMCZJUPV-NRFANRHFSA-N 0 0 565.681 5.013 40 5 KKBBRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000409128993 1072521781 /nfs/dbraw/zinc/52/17/81/1072521781.db2.gz TUBSDSCYZHWHDK-NDEPHWFRSA-N 0 0 524.533 5.873 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409128841 1072522851 /nfs/dbraw/zinc/52/28/51/1072522851.db2.gz LAVKKSPSINEPKL-UHFFFAOYSA-N 0 0 545.444 5.490 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409143282 1072542774 /nfs/dbraw/zinc/54/27/74/1072542774.db2.gz LMFUARNKGJPTNY-PCLIKHOPSA-N 0 0 504.564 5.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143051 1072543218 /nfs/dbraw/zinc/54/32/18/1072543218.db2.gz MRENUQWQSXIBMS-IPAKXIGBSA-N 0 0 784.585 5.505 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409143093 1072543660 /nfs/dbraw/zinc/54/36/60/1072543660.db2.gz UNSMUTCKFTWCRW-ZNRKBWGRSA-N 0 0 667.744 5.541 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409142920 1072544458 /nfs/dbraw/zinc/54/44/58/1072544458.db2.gz FQJPAGBLDLHXSP-VPHSIRQSSA-N 0 0 675.789 5.062 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409349507 1072549192 /nfs/dbraw/zinc/54/91/92/1072549192.db2.gz PUXVANJKZWVUAY-ZDLGFXPLSA-N 0 0 504.362 5.156 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142227 1072549651 /nfs/dbraw/zinc/54/96/51/1072549651.db2.gz CMKKHYOFVJVTGT-WQNUKSJVSA-N 0 0 727.431 6.119 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000409141871 1072550480 /nfs/dbraw/zinc/55/04/80/1072550480.db2.gz JIRAPIZCISQGPZ-TURZUDJPSA-N 0 0 524.598 6.996 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349164 1072550664 /nfs/dbraw/zinc/55/06/64/1072550664.db2.gz RPMFZIXKBCVMQA-GKTKDVHMSA-N 0 0 757.457 6.128 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348796 1072554720 /nfs/dbraw/zinc/55/47/20/1072554720.db2.gz PKOUMYHVZHYQIN-HXUWFJFHSA-N 0 0 599.928 6.414 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141173 1072554877 /nfs/dbraw/zinc/55/48/77/1072554877.db2.gz MHFWMTDGGMGRLW-IPAKXIGBSA-N 0 0 818.484 6.360 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CC1CCCCC1 ZINC000409140989 1072555428 /nfs/dbraw/zinc/55/54/28/1072555428.db2.gz GIWIPDSTCAVDNB-LPYMAVHISA-N 0 0 578.428 6.395 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409140144 1072560947 /nfs/dbraw/zinc/56/09/47/1072560947.db2.gz DYLRENMSMFTRED-HRIDGTDGSA-N 0 0 595.633 5.032 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409140145 1072561022 /nfs/dbraw/zinc/56/10/22/1072561022.db2.gz DYLRENMSMFTRED-NULZLWRNSA-N 0 0 595.633 5.032 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140006 1072561364 /nfs/dbraw/zinc/56/13/64/1072561364.db2.gz HGUWJBDKLOVBQF-AQIZGWBQSA-N 0 0 597.571 5.294 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409347672 1072563386 /nfs/dbraw/zinc/56/33/86/1072563386.db2.gz MZVPZAGKCKMDRM-RGVLZGJSSA-N 0 0 605.366 5.143 40 5 KKBBRN COc1ccccc1NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409138987 1072567524 /nfs/dbraw/zinc/56/75/24/1072567524.db2.gz KUMUBIDYQKAWQU-BHVANESWSA-N 0 0 628.685 6.982 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409365292 1072579707 /nfs/dbraw/zinc/57/97/07/1072579707.db2.gz XUXIKPRCKXEBFL-FHQMNNMHSA-N 0 0 678.561 5.365 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364225 1072585504 /nfs/dbraw/zinc/58/55/04/1072585504.db2.gz WDRLZFWMBXJUMN-IPAKXIGBSA-N 0 0 774.033 6.251 40 5 KKBBRN CCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000409364272 1072585591 /nfs/dbraw/zinc/58/55/91/1072585591.db2.gz OOHJAXCVGOSFFD-UHFFFAOYSA-N 0 0 518.307 5.429 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409145342 1072587423 /nfs/dbraw/zinc/58/74/23/1072587423.db2.gz NTZQPMVSBBCJJU-LNXFQTKESA-N 0 0 696.605 5.036 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409363085 1072591540 /nfs/dbraw/zinc/59/15/40/1072591540.db2.gz UKFKXCHUCALTBW-UHFFFAOYSA-N 0 0 502.350 5.113 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409362308 1072594968 /nfs/dbraw/zinc/59/49/68/1072594968.db2.gz UURRPYPECQKIOM-FHQMNNMHSA-N 0 0 727.033 6.409 40 5 KKBBRN CCCOc1ccc(Cl)cc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409156545 1072595135 /nfs/dbraw/zinc/59/51/35/1072595135.db2.gz OROSSPQKPDYCBD-FQKMCRJQSA-N 0 0 608.072 5.327 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1C ZINC000409156541 1072595183 /nfs/dbraw/zinc/59/51/83/1072595183.db2.gz GFSYCZSSSRSJDY-WGARJPEWSA-N 0 0 540.601 5.890 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409360455 1072607256 /nfs/dbraw/zinc/60/72/56/1072607256.db2.gz QCFGQAKYIHANKF-FQEVSTJZSA-N 0 0 565.483 5.587 40 5 KKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409360667 1072607266 /nfs/dbraw/zinc/60/72/66/1072607266.db2.gz BUNHMPSUFSDMIX-IBGZPJMESA-N 0 0 508.431 5.932 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360469 1072607785 /nfs/dbraw/zinc/60/77/85/1072607785.db2.gz PSOIAKOISZPKHF-WQNUKSJVSA-N 0 0 770.558 5.115 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409153887 1072609167 /nfs/dbraw/zinc/60/91/67/1072609167.db2.gz IUYKUSCOMPMXPE-UUYOSTAYSA-N 0 0 632.470 5.108 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409153624 1072611425 /nfs/dbraw/zinc/61/14/25/1072611425.db2.gz LXTMCBQKRGNTEO-FMCGGJTJSA-N 0 0 598.431 5.620 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1C ZINC000409153404 1072611910 /nfs/dbraw/zinc/61/19/10/1072611910.db2.gz HXOQHMSMAWMVOT-FMCGGJTJSA-N 0 0 505.552 5.763 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409152645 1072616493 /nfs/dbraw/zinc/61/64/93/1072616493.db2.gz KTBRREICSPVPFP-SSDVNMTOSA-N 0 0 566.573 5.692 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409152600 1072618011 /nfs/dbraw/zinc/61/80/11/1072618011.db2.gz KJUQITMFBJGIGY-FSJBWODESA-N 0 0 643.428 6.132 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409152100 1072620370 /nfs/dbraw/zinc/62/03/70/1072620370.db2.gz IXZMJRZKZCDCBJ-WSDLNYQXSA-N 0 0 548.533 5.587 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409151905 1072620827 /nfs/dbraw/zinc/62/08/27/1072620827.db2.gz IOARLFUMLFOSOH-CFRMEGHHSA-N 0 0 596.017 5.679 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409152011 1072621401 /nfs/dbraw/zinc/62/14/01/1072621401.db2.gz JEKCYSKOKFCIOT-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409151897 1072622473 /nfs/dbraw/zinc/62/24/73/1072622473.db2.gz IMJYSFFWNPZEDI-YSURURNPSA-N 0 0 631.541 6.208 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409151453 1072624398 /nfs/dbraw/zinc/62/43/98/1072624398.db2.gz BLKMFZUAWJJSAP-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409150329 1072629561 /nfs/dbraw/zinc/62/95/61/1072629561.db2.gz BBCMLTPDFDEJIB-QRVIBDJDSA-N 0 0 596.459 6.228 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409149764 1072633573 /nfs/dbraw/zinc/63/35/73/1072633573.db2.gz QCOSOBNIHIBLML-AFUMVMLFSA-N 0 0 707.481 6.680 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c(C)c1 ZINC000409374400 1072639330 /nfs/dbraw/zinc/63/93/30/1072639330.db2.gz OOZJFQCFTRDYOJ-MTJSOVHGSA-N 0 0 518.551 5.382 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409148322 1072643382 /nfs/dbraw/zinc/64/33/82/1072643382.db2.gz YKPGTMSJNMRUAX-CIAFOILYSA-N 0 0 565.873 7.206 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409148035 1072644889 /nfs/dbraw/zinc/64/48/89/1072644889.db2.gz OGFIVQPYPFQIKD-QFIPXVFZSA-N 0 0 602.669 5.237 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409147684 1072646944 /nfs/dbraw/zinc/64/69/44/1072646944.db2.gz YOTYITQEYJLHDS-QYIOYSLNSA-N 0 0 714.225 6.064 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409371261 1072650203 /nfs/dbraw/zinc/65/02/03/1072650203.db2.gz BTYPGEZLFHSFMH-WSDLNYQXSA-N 0 0 505.552 5.763 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409166020 1072651540 /nfs/dbraw/zinc/65/15/40/1072651540.db2.gz BVEZQTRFMZBPMP-ZMOGYAJESA-N 0 0 592.586 5.986 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409165791 1072652175 /nfs/dbraw/zinc/65/21/75/1072652175.db2.gz AAHOAVSRCOGGMP-SRZZPIQSSA-N 0 0 590.397 6.013 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409165910 1072653221 /nfs/dbraw/zinc/65/32/21/1072653221.db2.gz AQDZKBRRQCSTOS-UHFFFAOYSA-N 0 0 663.105 5.339 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)N1CCCCC1 ZINC000409370516 1072653525 /nfs/dbraw/zinc/65/35/25/1072653525.db2.gz SBRHGLPCZKUKFD-XYGWBWBKSA-N 0 0 531.590 5.376 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409165583 1072654581 /nfs/dbraw/zinc/65/45/81/1072654581.db2.gz ZVMYOVMMZJJUNC-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCCCC1 ZINC000409369953 1072656325 /nfs/dbraw/zinc/65/63/25/1072656325.db2.gz IDNDQKOVBURSKU-NDENLUEZSA-N 0 0 535.500 5.455 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409164825 1072657429 /nfs/dbraw/zinc/65/74/29/1072657429.db2.gz OIJFUYSLPUMZSA-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCCC1 ZINC000409369548 1072658584 /nfs/dbraw/zinc/65/85/84/1072658584.db2.gz CTHKVBMCMLSWIZ-NDENLUEZSA-N 0 0 733.322 5.432 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409163533 1072664175 /nfs/dbraw/zinc/66/41/75/1072664175.db2.gz SWQBTLGLMNMMAX-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409162762 1072668078 /nfs/dbraw/zinc/66/80/78/1072668078.db2.gz HJUUHNUMRNXZGI-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409162090 1072673178 /nfs/dbraw/zinc/67/31/78/1072673178.db2.gz COXJQFWPTDJOHJ-RGFRMHDHSA-N 0 0 587.654 5.064 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409160106 1072684422 /nfs/dbraw/zinc/68/44/22/1072684422.db2.gz XPAMMUSUVMNQRK-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409159386 1072688059 /nfs/dbraw/zinc/68/80/59/1072688059.db2.gz ZVAILZNTNKKHAI-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl ZINC000409159269 1072689568 /nfs/dbraw/zinc/68/95/68/1072689568.db2.gz ZXRBXOCPQCWBIB-CIAFOILYSA-N 0 0 555.952 5.360 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409159126 1072690008 /nfs/dbraw/zinc/69/00/08/1072690008.db2.gz QBXCBBAQHUPYBU-JJFYIABZSA-N 0 0 569.979 5.587 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409159086 1072690075 /nfs/dbraw/zinc/69/00/75/1072690075.db2.gz ZBMYGBGDSSDBCP-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409158527 1072693772 /nfs/dbraw/zinc/69/37/72/1072693772.db2.gz TWMKJKLJRNASPP-ZVHZXABRSA-N 0 0 673.485 6.161 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409158106 1072695894 /nfs/dbraw/zinc/69/58/94/1072695894.db2.gz XQPCWJOUYIQQON-KEBDBYFISA-N 0 0 576.370 5.623 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409157884 1072697234 /nfs/dbraw/zinc/69/72/34/1072697234.db2.gz NQMYNNXFLNLXJF-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000409157877 1072697251 /nfs/dbraw/zinc/69/72/51/1072697251.db2.gz WPIKYEKJWASUKY-FQEVSTJZSA-N 0 0 606.517 6.001 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Br)cc1 ZINC000409167320 1072704917 /nfs/dbraw/zinc/70/49/17/1072704917.db2.gz IAVMOWXYPCDWSM-LPYMAVHISA-N 0 0 568.405 5.611 40 5 KKBBRN COc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409177206 1072705920 /nfs/dbraw/zinc/70/59/20/1072705920.db2.gz DKWVIJNOFRKUGJ-SSEXGKCCSA-N 0 0 518.525 6.600 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177264 1072705981 /nfs/dbraw/zinc/70/59/81/1072705981.db2.gz GAPCIZWHOVSANR-CVXNTFFOSA-N 0 0 682.582 6.299 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409177164 1072706032 /nfs/dbraw/zinc/70/60/32/1072706032.db2.gz CNBFWZKGXRMUHJ-SANMLTNESA-N 0 0 551.467 5.085 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000409176741 1072706876 /nfs/dbraw/zinc/70/68/76/1072706876.db2.gz WIDZDLIENDIACQ-AREMUKBSSA-N 0 0 524.460 5.316 40 5 KKBBRN Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409382309 1072706953 /nfs/dbraw/zinc/70/69/53/1072706953.db2.gz ZSYZHGQGNBQOBZ-NTFVMDSBSA-N 0 0 566.639 5.527 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176768 1072707200 /nfs/dbraw/zinc/70/72/00/1072707200.db2.gz XBMOUZQAMZMWDT-SANMLTNESA-N 0 0 546.513 5.117 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000409176763 1072707207 /nfs/dbraw/zinc/70/72/07/1072707207.db2.gz XATGUYPZNZLXNI-UHFFFAOYSA-N 0 0 555.384 7.722 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000409176387 1072707674 /nfs/dbraw/zinc/70/76/74/1072707674.db2.gz MEQGUQGXEFGTHH-YTTGMZPUSA-N 0 0 527.576 7.097 40 5 KKBBRN CCc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409177075 1072708559 /nfs/dbraw/zinc/70/85/59/1072708559.db2.gz CIXMYJULFLUGCX-HKBQPEDESA-N 0 0 516.553 7.153 40 5 KKBBRN Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409176932 1072709537 /nfs/dbraw/zinc/70/95/37/1072709537.db2.gz BKXQISFBQMDUKW-UHFFFAOYSA-N 0 0 542.931 6.507 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409176502 1072711293 /nfs/dbraw/zinc/71/12/93/1072711293.db2.gz PLLCXOPLKNYQTF-AREMUKBSSA-N 0 0 551.467 5.085 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409176112 1072713525 /nfs/dbraw/zinc/71/35/25/1072713525.db2.gz HRKNYHJFGRFDCL-CFRMEGHHSA-N 0 0 596.459 6.228 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175769 1072714905 /nfs/dbraw/zinc/71/49/05/1072714905.db2.gz COCQQKZBVVXZHX-UHFFFAOYSA-N 0 0 572.083 5.242 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409175444 1072716206 /nfs/dbraw/zinc/71/62/06/1072716206.db2.gz RLWOBDVUVCXDOW-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000409175305 1072716996 /nfs/dbraw/zinc/71/69/96/1072716996.db2.gz ZBKYFPVBDJFTPL-HHHXNRCGSA-N 0 0 515.543 5.517 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409175225 1072718258 /nfs/dbraw/zinc/71/82/58/1072718258.db2.gz YDWSOQQVXRXJCD-HHHXNRCGSA-N 0 0 639.831 7.145 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409175078 1072719135 /nfs/dbraw/zinc/71/91/35/1072719135.db2.gz ZBKAPWRDDMJMGH-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000409174744 1072720438 /nfs/dbraw/zinc/72/04/38/1072720438.db2.gz UNTINMJNGZCWIP-UHFFFAOYSA-N 0 0 558.634 9.007 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409174807 1072720786 /nfs/dbraw/zinc/72/07/86/1072720786.db2.gz VJUAEUVDVKDHDI-LICLKQGHSA-N 0 0 510.846 5.055 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174283 1072722567 /nfs/dbraw/zinc/72/25/67/1072722567.db2.gz QRBYHHZVOUWTRB-UHFFFAOYSA-N 0 0 693.587 6.162 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409174335 1072722952 /nfs/dbraw/zinc/72/29/52/1072722952.db2.gz SGZFBWBDPLIFEZ-UHFFFAOYSA-N 0 0 531.433 6.353 40 5 KKBBRN Cc1cc2nc3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n3c2cc1C ZINC000409394179 1072723592 /nfs/dbraw/zinc/72/35/92/1072723592.db2.gz WUHQGRPFVXUXTF-FMCGGJTJSA-N 0 0 536.407 5.323 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409391511 1072727522 /nfs/dbraw/zinc/72/75/22/1072727522.db2.gz IISFSTFYBGEDIR-CFRMEGHHSA-N 0 0 627.460 5.564 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409173254 1072728023 /nfs/dbraw/zinc/72/80/23/1072728023.db2.gz HYLNVMYZFSYEAU-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409172933 1072729925 /nfs/dbraw/zinc/72/99/25/1072729925.db2.gz JLIQKXFFTSNHKA-XRSDMRJBSA-N 0 0 736.689 8.857 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409172398 1072733500 /nfs/dbraw/zinc/73/35/00/1072733500.db2.gz HEVGYRFCLPLVBA-JJFYIABZSA-N 0 0 525.970 6.108 40 5 KKBBRN CCc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409172426 1072733554 /nfs/dbraw/zinc/73/35/54/1072733554.db2.gz HUOPZCREFSGBRG-UHFFFAOYSA-N 0 0 522.513 6.107 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1 ZINC000409172053 1072735331 /nfs/dbraw/zinc/73/53/31/1072735331.db2.gz BGANEGPXXZCDGD-XMMPIXPASA-N 0 0 560.661 5.762 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409388794 1072735603 /nfs/dbraw/zinc/73/56/03/1072735603.db2.gz NQMLHRUXRUDYLH-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409171881 1072737653 /nfs/dbraw/zinc/73/76/53/1072737653.db2.gz CKCITPCIANOTGS-LJAQVGFWSA-N 0 0 522.944 7.244 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000409171616 1072738182 /nfs/dbraw/zinc/73/81/82/1072738182.db2.gz BBLSBSOOVBWWSE-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000409388140 1072738809 /nfs/dbraw/zinc/73/88/09/1072738809.db2.gz KMFPZCFTAFTRPO-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)o1 ZINC000409388413 1072738835 /nfs/dbraw/zinc/73/88/35/1072738835.db2.gz GEMGDXOBDULJPP-NVMNQCDNSA-N 0 0 533.312 5.233 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000409171577 1072740065 /nfs/dbraw/zinc/74/00/65/1072740065.db2.gz ABFDTUITSGZCSB-SANMLTNESA-N 0 0 506.470 5.176 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl ZINC000409171194 1072741001 /nfs/dbraw/zinc/74/10/01/1072741001.db2.gz YQNZAODPHNBCIC-FSJBWODESA-N 0 0 581.990 5.289 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409170870 1072743772 /nfs/dbraw/zinc/74/37/72/1072743772.db2.gz WXVZAWXFGLRXBL-ZVHZXABRSA-N 0 0 687.512 6.469 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl ZINC000409169040 1072751889 /nfs/dbraw/zinc/75/18/89/1072751889.db2.gz PHBVMFWYJCDFFE-JFLMPSFJSA-N 0 0 654.097 6.468 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409168243 1072756659 /nfs/dbraw/zinc/75/66/59/1072756659.db2.gz LVSLVBWJUUIMTQ-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409168003 1072757170 /nfs/dbraw/zinc/75/71/70/1072757170.db2.gz KMECHOJIGAYZHM-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409167730 1072759023 /nfs/dbraw/zinc/75/90/23/1072759023.db2.gz JLUSXHWRAKLRCY-NRFANRHFSA-N 0 0 565.483 5.679 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409167500 1072760686 /nfs/dbraw/zinc/76/06/86/1072760686.db2.gz IRPLSECUMYPWDF-LSHDLFTRSA-N 0 0 612.960 5.410 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 ZINC000409402594 1072774986 /nfs/dbraw/zinc/77/49/86/1072774986.db2.gz XDVHUNMHUFQBKQ-GRSHGNNSSA-N 0 0 635.221 5.171 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409184423 1072777578 /nfs/dbraw/zinc/77/75/78/1072777578.db2.gz XZENOLPOQPFVRC-UFFVCSGVSA-N 0 0 554.968 5.428 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409184417 1072777675 /nfs/dbraw/zinc/77/76/75/1072777675.db2.gz XWVYNKRWFMUETI-LJAQVGFWSA-N 0 0 536.584 6.926 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409183919 1072779890 /nfs/dbraw/zinc/77/98/90/1072779890.db2.gz VBMWSSPHWVLLCF-PMERELPUSA-N 0 0 502.526 6.899 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409183921 1072779902 /nfs/dbraw/zinc/77/99/02/1072779902.db2.gz VBMWSSPHWVLLCF-SSEXGKCCSA-N 0 0 502.526 6.899 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409183984 1072780406 /nfs/dbraw/zinc/78/04/06/1072780406.db2.gz VOHAJHGUZPKWHG-UHFFFAOYSA-N 0 0 525.948 7.250 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3Cl)C2=O)o1 ZINC000409400829 1072784771 /nfs/dbraw/zinc/78/47/71/1072784771.db2.gz RFGPFZFVQIRGSD-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409183001 1072785874 /nfs/dbraw/zinc/78/58/74/1072785874.db2.gz QYRFOJDCMJKJRJ-AREMUKBSSA-N 0 0 506.470 5.176 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409183053 1072786210 /nfs/dbraw/zinc/78/62/10/1072786210.db2.gz QPVJTGGPAJXLHF-PLMBTIQCSA-N 0 0 648.137 5.646 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409183041 1072786247 /nfs/dbraw/zinc/78/62/47/1072786247.db2.gz QMQIKKNKNCJFPK-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182743 1072788466 /nfs/dbraw/zinc/78/84/66/1072788466.db2.gz NLHNFGJUDLMIKK-FHQMNNMHSA-N 0 0 727.033 6.409 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181191 1072799763 /nfs/dbraw/zinc/79/97/63/1072799763.db2.gz YTAHKOPCYPLHEC-UHFFFAOYSA-N 0 0 724.011 5.963 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409180876 1072801962 /nfs/dbraw/zinc/80/19/62/1072801962.db2.gz TVIDXWIXTKWVSO-WGOQTCKBSA-N 0 0 561.616 5.810 40 5 KKBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180305 1072805048 /nfs/dbraw/zinc/80/50/48/1072805048.db2.gz QRCPBVRJCPEADZ-MHZLTWQESA-N 0 0 589.387 6.792 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C ZINC000409180215 1072806262 /nfs/dbraw/zinc/80/62/62/1072806262.db2.gz QAUQUAFCTVHXOS-UMSFTDKQSA-N 0 0 626.621 7.586 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000409179704 1072808650 /nfs/dbraw/zinc/80/86/50/1072808650.db2.gz RTLYIMQAWSBCOM-DHRITJCHSA-N 0 0 626.485 6.182 40 5 KKBBRN Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2ccccc2C1=O ZINC000409179528 1072809130 /nfs/dbraw/zinc/80/91/30/1072809130.db2.gz PQKZDGRVASEGMV-UHFFFAOYSA-N 0 0 508.486 5.853 40 5 KKBBRN Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409179599 1072809538 /nfs/dbraw/zinc/80/95/38/1072809538.db2.gz QOJAVZRSFSXFKE-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 ZINC000409179561 1072809613 /nfs/dbraw/zinc/80/96/13/1072809613.db2.gz QEWZQXRHYDEEQY-LQJZCPKCSA-N 0 0 645.580 6.460 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc2)C3=O)cc1C ZINC000409179449 1072810382 /nfs/dbraw/zinc/81/03/82/1072810382.db2.gz NWVYFGOQFXKEEL-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000409179432 1072810510 /nfs/dbraw/zinc/81/05/10/1072810510.db2.gz NIRZMLDGCDHXMZ-UHFFFAOYSA-N 0 0 547.947 6.668 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4c(Cl)cccc4[N+](=O)[O-])c3)cc2)cc1 ZINC000409179086 1072811852 /nfs/dbraw/zinc/81/18/52/1072811852.db2.gz JUDRMHLVQMSKGR-UHFFFAOYSA-N 0 0 545.931 6.608 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179198 1072812781 /nfs/dbraw/zinc/81/27/81/1072812781.db2.gz QIQOCPSGDAUISI-AQOUDTPCSA-N 0 0 644.592 7.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178786 1072813634 /nfs/dbraw/zinc/81/36/34/1072813634.db2.gz IIOROFGLXQNHAG-DYCDSJFESA-N 0 0 668.555 5.909 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000409178880 1072814607 /nfs/dbraw/zinc/81/46/07/1072814607.db2.gz OIGVTZUUIFCSED-SANMLTNESA-N 0 0 574.467 6.195 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000409178522 1072816121 /nfs/dbraw/zinc/81/61/21/1072816121.db2.gz KQCIHIZXJYQXFV-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl ZINC000409178370 1072816912 /nfs/dbraw/zinc/81/69/12/1072816912.db2.gz LMINWFCCJLGUFL-FSJBWODESA-N 0 0 537.981 5.811 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C ZINC000409178374 1072817276 /nfs/dbraw/zinc/81/72/76/1072817276.db2.gz LNVUNQULAZQORJ-WJOKGBTCSA-N 0 0 516.553 7.208 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177870 1072821445 /nfs/dbraw/zinc/82/14/45/1072821445.db2.gz ILHWINWNTBSGSC-UHFFFAOYSA-N 0 0 703.616 6.784 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409197182 1072826226 /nfs/dbraw/zinc/82/62/26/1072826226.db2.gz XWSSDLKWKBAAEA-JFENUBAZSA-N 0 0 506.989 5.777 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196576 1072831704 /nfs/dbraw/zinc/83/17/04/1072831704.db2.gz WIUGEFSFWZKTFO-WPWMEQJKSA-N 0 0 744.564 5.689 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl ZINC000409196284 1072832942 /nfs/dbraw/zinc/83/29/42/1072832942.db2.gz VIBBNGYSPDNHMT-UUYOSTAYSA-N 0 0 597.005 5.677 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409195844 1072835692 /nfs/dbraw/zinc/83/56/92/1072835692.db2.gz LPIDPRLKRYTFBM-AUEPDCJTSA-N 0 0 680.411 6.615 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409195177 1072838119 /nfs/dbraw/zinc/83/81/19/1072838119.db2.gz RZRYLKNXSRLTJL-LPYMAVHISA-N 0 0 589.851 7.229 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409193814 1072847125 /nfs/dbraw/zinc/84/71/25/1072847125.db2.gz MTWMMMFKPBPPPB-ZCWBPALNSA-N 0 0 753.646 5.967 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1cccc2ccccc21 ZINC000409193486 1072850881 /nfs/dbraw/zinc/85/08/81/1072850881.db2.gz DSEBFXHJZGCGIN-UCQKPKSFSA-N 0 0 526.530 5.610 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409193217 1072851709 /nfs/dbraw/zinc/85/17/09/1072851709.db2.gz FQPRUTFRAIRYGW-FZYNABOYSA-N 0 0 667.093 7.390 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409192054 1072856648 /nfs/dbraw/zinc/85/66/48/1072856648.db2.gz TZHNWMYQDRJTIA-YBRLOCPZSA-N 0 0 607.413 6.118 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409191554 1072861920 /nfs/dbraw/zinc/86/19/20/1072861920.db2.gz ZACWBEAJRPLWNP-OUXZYKPHSA-N 0 0 734.263 6.865 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409191135 1072865355 /nfs/dbraw/zinc/86/53/55/1072865355.db2.gz ZVHBAMXMSSYIDG-JESJEVRBSA-N 0 0 799.718 7.486 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409190992 1072866526 /nfs/dbraw/zinc/86/65/26/1072866526.db2.gz XWWRFEBEPUNDGO-HOGDLBODSA-N 0 0 773.680 7.111 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccs1 ZINC000409190424 1072870517 /nfs/dbraw/zinc/87/05/17/1072870517.db2.gz MXASYMVXFHRZQQ-MKWGYRPRSA-N 0 0 693.232 5.851 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190236 1072871527 /nfs/dbraw/zinc/87/15/27/1072871527.db2.gz QIDGDHJKDBILOI-FZEVDNDPSA-N 0 0 781.700 6.747 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409190229 1072871726 /nfs/dbraw/zinc/87/17/26/1072871726.db2.gz MQRFEFIDOXCEGX-HBMWKUFKSA-N 0 0 779.300 6.935 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190108 1072872059 /nfs/dbraw/zinc/87/20/59/1072872059.db2.gz WKCBISJQWDZHFK-CIAFOILYSA-N 0 0 545.798 6.831 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409189476 1072875666 /nfs/dbraw/zinc/87/56/66/1072875666.db2.gz GYJJWWDDCKDUOQ-CSMLLFHVSA-N 0 0 528.517 5.356 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000409188971 1072880687 /nfs/dbraw/zinc/88/06/87/1072880687.db2.gz LSRQYEILJYKBLH-NCHPMYSESA-N 0 0 553.752 5.974 40 5 KKBBRN O=C(Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409188718 1072881078 /nfs/dbraw/zinc/88/10/78/1072881078.db2.gz FOJCPBVKVLPRKE-UNOMPAQXSA-N 0 0 527.714 5.574 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409188107 1072884840 /nfs/dbraw/zinc/88/48/40/1072884840.db2.gz ANQFBCRVXSSTQZ-ITNAUSPISA-N 0 0 744.299 6.103 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409187935 1072885320 /nfs/dbraw/zinc/88/53/20/1072885320.db2.gz DIDKOTXXBASOJF-AOFXREQWSA-N 0 0 752.253 7.004 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409207296 1072886697 /nfs/dbraw/zinc/88/66/97/1072886697.db2.gz RLBYQXKQCWNQJE-LGJNPRDNSA-N 0 0 640.070 6.078 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205732 1072896559 /nfs/dbraw/zinc/89/65/59/1072896559.db2.gz JRWDRCROMHKGSD-VRCTWVPOSA-N 0 0 640.452 5.555 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205695 1072896673 /nfs/dbraw/zinc/89/66/73/1072896673.db2.gz FCIMOSYACDQVCZ-VRCTWVPOSA-N 0 0 593.452 5.713 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409205447 1072898415 /nfs/dbraw/zinc/89/84/15/1072898415.db2.gz CRHPNJFGMOIKGC-QQXSKIMKSA-N 0 0 653.511 5.448 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205315 1072899384 /nfs/dbraw/zinc/89/93/84/1072899384.db2.gz BHMHCQSWMHDREU-JJFYIABZSA-N 0 0 613.004 5.296 40 5 KKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409204141 1072907642 /nfs/dbraw/zinc/90/76/42/1072907642.db2.gz CBFDWCLCFCWKMW-YCNYHXFESA-N 0 0 526.017 7.390 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203229 1072910542 /nfs/dbraw/zinc/91/05/42/1072910542.db2.gz XAXBMPVVPJBCLC-FOKLQQMPSA-N 0 0 725.799 7.426 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199614 1072925460 /nfs/dbraw/zinc/92/54/60/1072925460.db2.gz PLEFBTKYVUQJQG-FOKLQQMPSA-N 0 0 772.799 7.268 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198605 1072930136 /nfs/dbraw/zinc/93/01/36/1072930136.db2.gz ILXNKHBFWBQXIZ-GRSHGNNSSA-N 0 0 574.493 5.273 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409198279 1072931379 /nfs/dbraw/zinc/93/13/79/1072931379.db2.gz BMXXDTXDPQELCT-QRQIAZFYSA-N 0 0 597.653 5.109 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409207585 1072941875 /nfs/dbraw/zinc/94/18/75/1072941875.db2.gz YACYEULMEXVQLG-UZPSYVQNSA-N 0 0 524.473 5.784 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1ccccc1F ZINC000409216958 1072944481 /nfs/dbraw/zinc/94/44/81/1072944481.db2.gz QAYVFVJIAFXHND-SRZZPIQSSA-N 0 0 559.337 5.151 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409214059 1072954161 /nfs/dbraw/zinc/95/41/61/1072954161.db2.gz XJWQMYQNUJUXDP-YBFXNURJSA-N 0 0 544.417 5.076 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409212033 1072961095 /nfs/dbraw/zinc/96/10/95/1072961095.db2.gz LLQFPHRCJHZAJT-SRZZPIQSSA-N 0 0 648.239 5.369 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211182 1072962723 /nfs/dbraw/zinc/96/27/23/1072962723.db2.gz NAJZKDWEUWNVCZ-WSDLNYQXSA-N 0 0 636.851 7.071 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 ZINC000409225409 1072978375 /nfs/dbraw/zinc/97/83/75/1072978375.db2.gz QJIRIVXRVFUUQG-SSDVNMTOSA-N 0 0 584.360 5.977 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 ZINC000409224222 1072984428 /nfs/dbraw/zinc/98/44/28/1072984428.db2.gz JBPCKMALMNYWCH-FMCGGJTJSA-N 0 0 632.286 6.618 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409219116 1073009650 /nfs/dbraw/zinc/00/96/50/1073009650.db2.gz NJCKSZNPLUVWRQ-XKZIYDEJSA-N 0 0 633.454 5.053 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc(Br)cc1 ZINC000409219159 1073010088 /nfs/dbraw/zinc/01/00/88/1073010088.db2.gz JSWAEIRIGUPZID-KEBDBYFISA-N 0 0 547.770 6.190 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccccc1 ZINC000409218868 1073011113 /nfs/dbraw/zinc/01/11/13/1073011113.db2.gz HXJJLSGCINZUTE-WSDLNYQXSA-N 0 0 505.464 5.215 40 5 KKBBRN Cc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409217947 1073013985 /nfs/dbraw/zinc/01/39/85/1073013985.db2.gz FZMMCUWKJMCTIO-SRZZPIQSSA-N 0 0 527.352 5.845 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409229440 1073019698 /nfs/dbraw/zinc/01/96/98/1073019698.db2.gz OZJIVDGZSZRPIO-DJKKODMXSA-N 0 0 529.336 5.255 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409228644 1073026122 /nfs/dbraw/zinc/02/61/22/1073026122.db2.gz BYRZJQHWGBDFAE-SSDVNMTOSA-N 0 0 584.950 5.632 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409228455 1073027204 /nfs/dbraw/zinc/02/72/04/1073027204.db2.gz AIPLDBIHOYJTEL-OEAKJJBVSA-N 0 0 579.407 5.030 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc(Br)cc1 ZINC000409227520 1073032188 /nfs/dbraw/zinc/03/21/88/1073032188.db2.gz ZBDVDGXNUVIDDY-MXAYSNPKSA-N 0 0 576.428 6.280 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409234717 1073047755 /nfs/dbraw/zinc/04/77/55/1073047755.db2.gz XPRKZRXFOUZFDY-YDZHTSKRSA-N 0 0 553.980 5.511 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409232286 1073062172 /nfs/dbraw/zinc/06/21/72/1073062172.db2.gz PWLAXHRSJUGAEI-AFUMVMLFSA-N 0 0 517.994 6.796 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O ZINC000409247155 1073071868 /nfs/dbraw/zinc/07/18/68/1073071868.db2.gz BKJKKVHGPJWOJL-KSEXSDGBSA-N 0 0 602.046 5.308 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409245510 1073082795 /nfs/dbraw/zinc/08/27/95/1073082795.db2.gz UXFXSKBFKIGXGP-SRZZPIQSSA-N 0 0 554.924 5.624 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409245243 1073085170 /nfs/dbraw/zinc/08/51/70/1073085170.db2.gz PPVXZDKYFCIUNA-FSJBWODESA-N 0 0 609.433 5.039 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409242798 1073095589 /nfs/dbraw/zinc/09/55/89/1073095589.db2.gz PBXVHHMDOANHDU-FSJBWODESA-N 0 0 609.433 5.039 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409242374 1073097552 /nfs/dbraw/zinc/09/75/52/1073097552.db2.gz RKKMRWIXVNBXSZ-SRZZPIQSSA-N 0 0 534.899 7.296 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409239258 1073114941 /nfs/dbraw/zinc/11/49/41/1073114941.db2.gz MIICBRYPNDCKCG-SRZZPIQSSA-N 0 0 638.721 7.589 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409238048 1073121908 /nfs/dbraw/zinc/12/19/08/1073121908.db2.gz YURCSSNEYGFMFP-LSHDLFTRSA-N 0 0 568.495 5.118 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409237611 1073124889 /nfs/dbraw/zinc/12/48/89/1073124889.db2.gz AMHWMCSCXFFFTP-DEDYPNTBSA-N 0 0 551.415 5.408 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409237658 1073125541 /nfs/dbraw/zinc/12/55/41/1073125541.db2.gz AWHPKHSAXRIAKB-SSDVNMTOSA-N 0 0 616.421 5.759 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409249673 1073140772 /nfs/dbraw/zinc/14/07/72/1073140772.db2.gz KXBYMGLPCHDNKO-LPYMAVHISA-N 0 0 552.381 5.428 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409257208 1073156954 /nfs/dbraw/zinc/15/69/54/1073156954.db2.gz OZDDGQAZLPIWSE-BRJLIKDPSA-N 0 0 626.485 6.237 40 5 KKBBRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409256823 1073159830 /nfs/dbraw/zinc/15/98/30/1073159830.db2.gz NQKPJLGVMWTELR-UHFFFAOYSA-N 0 0 508.512 5.950 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 ZINC000409254241 1073175785 /nfs/dbraw/zinc/17/57/85/1073175785.db2.gz HZSUIQGCHKAJEZ-LSHDLFTRSA-N 0 0 641.805 7.741 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1cccc2ccccc21 ZINC000409253731 1073179101 /nfs/dbraw/zinc/17/91/01/1073179101.db2.gz BXOSWWQEPCBURZ-DHRITJCHSA-N 0 0 672.435 7.997 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccc(I)cc1 ZINC000409266915 1073199307 /nfs/dbraw/zinc/19/93/07/1073199307.db2.gz LRQNEUGRJXTELI-NHDPSOOVSA-N 0 0 773.197 6.978 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409264638 1073211031 /nfs/dbraw/zinc/21/10/31/1073211031.db2.gz QMRWWHDKBPTEON-ZMOGYAJESA-N 0 0 678.888 6.750 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1Cl ZINC000409263407 1073218514 /nfs/dbraw/zinc/21/85/14/1073218514.db2.gz MPNLVCWAHHXKBY-MYKKPKGFSA-N 0 0 648.071 5.017 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccc(I)cc1 ZINC000409259210 1073241787 /nfs/dbraw/zinc/24/17/87/1073241787.db2.gz YBMJHAVFWPJBFJ-NKVSQWTQSA-N 0 0 674.385 5.002 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409259045 1073242636 /nfs/dbraw/zinc/24/26/36/1073242636.db2.gz ZBAQNKHSCSSDMZ-CVKSISIWSA-N 0 0 652.523 5.956 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409258585 1073245452 /nfs/dbraw/zinc/24/54/52/1073245452.db2.gz YDIKAQVTJYNWGV-OYKKKHCWSA-N 0 0 659.458 5.852 40 5 KKBBRN CCCCOC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000409272565 1073254189 /nfs/dbraw/zinc/25/41/89/1073254189.db2.gz MYFFOHAROLFYJV-BUVRLJJBSA-N 0 0 534.546 5.731 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409272584 1073254580 /nfs/dbraw/zinc/25/45/80/1073254580.db2.gz NIMPFUCWZSYCRD-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000409272593 1073254623 /nfs/dbraw/zinc/25/46/23/1073254623.db2.gz NMIGILIDLPKSSY-ZVHZXABRSA-N 0 0 504.520 5.102 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409272192 1073258610 /nfs/dbraw/zinc/25/86/10/1073258610.db2.gz MHDKGGINQQEGBI-JVWAILMASA-N 0 0 569.595 6.011 40 5 KKBBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409271931 1073258815 /nfs/dbraw/zinc/25/88/15/1073258815.db2.gz FGYYUAKWVUTUKU-WGARJPEWSA-N 0 0 546.004 6.479 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409271776 1073259705 /nfs/dbraw/zinc/25/97/05/1073259705.db2.gz MZIITDZERILJFG-JFLMPSFJSA-N 0 0 614.592 6.522 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000409271418 1073263169 /nfs/dbraw/zinc/26/31/69/1073263169.db2.gz CSAPEEKHVIKITJ-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)cc1F ZINC000409270768 1073267633 /nfs/dbraw/zinc/26/76/33/1073267633.db2.gz ALPCEFAJXSIDAP-MYKKPKGFSA-N 0 0 548.527 5.551 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409270733 1073269371 /nfs/dbraw/zinc/26/93/71/1073269371.db2.gz HTZAHCWOZUOIHL-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409270314 1073270599 /nfs/dbraw/zinc/27/05/99/1073270599.db2.gz PDPYMNBZINXIMQ-CFRMEGHHSA-N 0 0 517.563 5.093 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409269764 1073274990 /nfs/dbraw/zinc/27/49/90/1073274990.db2.gz DLPWPZPGRLEZNX-OYKKKHCWSA-N 0 0 533.631 6.346 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 ZINC000409269520 1073276491 /nfs/dbraw/zinc/27/64/91/1073276491.db2.gz CLAWGPZXGSZTTG-SSDVNMTOSA-N 0 0 539.909 5.868 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409269178 1073278988 /nfs/dbraw/zinc/27/89/88/1073278988.db2.gz GOGIMTKIIUMSNU-KSEXSDGBSA-N 0 0 616.877 6.573 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269095 1073280507 /nfs/dbraw/zinc/28/05/07/1073280507.db2.gz FBEPILFYVHNBTI-RGVLZGJSSA-N 0 0 502.426 5.793 40 5 KKBBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000409268220 1073285904 /nfs/dbraw/zinc/28/59/04/1073285904.db2.gz RSNKRBPAOZNUCR-UHFFFAOYSA-N 0 0 531.590 5.560 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc(Cl)cc1 ZINC000409267604 1073289174 /nfs/dbraw/zinc/28/91/74/1073289174.db2.gz OMPGWASZDRJGRF-LSHDLFTRSA-N 0 0 641.805 7.741 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409276281 1073291417 /nfs/dbraw/zinc/29/14/17/1073291417.db2.gz ZXPAEKTZQVXPBN-DHRITJCHSA-N 0 0 596.017 5.584 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F ZINC000409276018 1073293837 /nfs/dbraw/zinc/29/38/37/1073293837.db2.gz NWMANZGUYWKETP-DJKKODMXSA-N 0 0 574.449 5.388 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409275723 1073297200 /nfs/dbraw/zinc/29/72/00/1073297200.db2.gz WBQXLPWGOQVABX-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1C ZINC000409275491 1073297956 /nfs/dbraw/zinc/29/79/56/1073297956.db2.gz VFMYYFZFTDCRIG-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409275423 1073298711 /nfs/dbraw/zinc/29/87/11/1073298711.db2.gz UIBXQHKMVQCUCZ-DJKKODMXSA-N 0 0 574.449 5.388 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409275078 1073302739 /nfs/dbraw/zinc/30/27/39/1073302739.db2.gz HXDSTRXAEOPQJC-AFUMVMLFSA-N 0 0 518.547 5.410 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409274992 1073303573 /nfs/dbraw/zinc/30/35/73/1073303573.db2.gz RTVKQWSITWXKBO-QRVIBDJDSA-N 0 0 510.955 6.467 40 5 KKBBRN Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409274730 1073307157 /nfs/dbraw/zinc/30/71/57/1073307157.db2.gz XCYKBFLDFHXNKO-JJFYIABZSA-N 0 0 507.480 5.299 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409274659 1073307824 /nfs/dbraw/zinc/30/78/24/1073307824.db2.gz FMLNNQFNCFRJCY-CFRMEGHHSA-N 0 0 596.459 6.228 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409274410 1073310021 /nfs/dbraw/zinc/31/00/21/1073310021.db2.gz WTERBDVUBQBODM-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274349 1073310729 /nfs/dbraw/zinc/31/07/29/1073310729.db2.gz WGBBXJDRCDZBLT-UFFVCSGVSA-N 0 0 554.968 5.428 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409273572 1073318923 /nfs/dbraw/zinc/31/89/23/1073318923.db2.gz JZNAFEOCHWHOGS-UUYOSTAYSA-N 0 0 507.524 5.155 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409273470 1073319539 /nfs/dbraw/zinc/31/95/39/1073319539.db2.gz QZYDKERZAXXOLX-UYOCIXKTSA-N 0 0 512.927 6.090 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273392 1073320253 /nfs/dbraw/zinc/32/02/53/1073320253.db2.gz QMWDCNNGJPTEGI-IAOUMNOZSA-N 0 0 599.738 5.080 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409275629 1073332932 /nfs/dbraw/zinc/33/29/32/1073332932.db2.gz KUOZLVOIUGVJCT-AFUMVMLFSA-N 0 0 563.544 5.400 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409273258 1073334049 /nfs/dbraw/zinc/33/40/49/1073334049.db2.gz JLNNRXPOPRREAB-JFLMPSFJSA-N 0 0 589.626 5.547 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409272908 1073336544 /nfs/dbraw/zinc/33/65/44/1073336544.db2.gz IAQYOOWXRZMMFS-DEDYPNTBSA-N 0 0 546.966 5.265 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000006280762 193879946 /nfs/dbraw/zinc/87/99/46/193879946.db2.gz VBLFJLWNKYZALN-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059417118 193897057 /nfs/dbraw/zinc/89/70/57/193897057.db2.gz FQJRSVRAMIOEPI-UHFFFAOYSA-N 0 0 514.378 6.229 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000100369233 193905208 /nfs/dbraw/zinc/90/52/08/193905208.db2.gz HWLOJTYCPXPSAB-XKZIYDEJSA-N 0 0 556.021 6.083 40 5 KKBBRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000108494438 193927977 /nfs/dbraw/zinc/92/79/77/193927977.db2.gz UKFSLZNMGYQELH-OBGWFSINSA-N 0 0 575.537 5.768 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224527587 193963607 /nfs/dbraw/zinc/96/36/07/193963607.db2.gz XLCFWQDWXISACB-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225545183 193976517 /nfs/dbraw/zinc/97/65/17/193976517.db2.gz FNVMEDRTUDFUFH-YTTGMZPUSA-N 0 0 707.647 6.109 40 5 KKBBRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000000902275 551565672 /nfs/dbraw/zinc/56/56/72/551565672.db2.gz RSZBTPUOEJXFJA-UHFFFAOYSA-N 0 0 516.457 6.187 40 5 KKBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 ZINC000001317533 551641038 /nfs/dbraw/zinc/64/10/38/551641038.db2.gz YAXQSZGROMJYRA-ZRBLBEILSA-N 0 0 528.348 5.351 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001896819 551728306 /nfs/dbraw/zinc/72/83/06/551728306.db2.gz ICIAMULZLRCHHA-FCEKVYKBSA-N 0 0 555.974 5.878 40 5 KKBBRN CCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3F)nc2O1 ZINC000002094220 551760301 /nfs/dbraw/zinc/76/03/01/551760301.db2.gz PPXCLEIRMCXKJJ-QHCPKHFHSA-N 0 0 505.531 5.780 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000002683600 552156276 /nfs/dbraw/zinc/15/62/76/552156276.db2.gz STXLDCSCNHSQNG-RISWYLRJSA-N 0 0 575.668 5.077 40 5 KKBBRN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000002738364 552171067 /nfs/dbraw/zinc/17/10/67/552171067.db2.gz GIERAQSVRXYHAC-UHFFFAOYSA-N 0 0 506.273 5.332 40 5 KKBBRN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 ZINC000003139669 552294471 /nfs/dbraw/zinc/29/44/71/552294471.db2.gz VNPPVIOKLNRPAH-UHFFFAOYSA-N 0 0 583.508 5.783 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003181393 552300644 /nfs/dbraw/zinc/30/06/44/552300644.db2.gz GIOWBTFPAZNCPA-LMHXZZLNSA-N 0 0 554.194 5.005 40 5 KKBBRN CC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc([N+](=O)[O-])c3)o2)cc1 ZINC000003849481 552420502 /nfs/dbraw/zinc/42/05/02/552420502.db2.gz MGUSKFOMSUVXOA-UHFFFAOYSA-N 0 0 523.593 7.624 40 5 KKBBRN O=C(c1nn(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003849254 552420505 /nfs/dbraw/zinc/42/05/05/552420505.db2.gz IJCQYWKSMCFWLI-UHFFFAOYSA-N 0 0 509.543 5.511 40 5 KKBBRN CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003873012 552421141 /nfs/dbraw/zinc/42/11/41/552421141.db2.gz ZHEHVZXPFVXKEY-RUAOOFDTSA-N 0 0 537.616 5.606 40 5 in-vitro KKBBRN O=[N+]([O-])c1cc(I)c(Br)c(-c2cc([N+](=O)[O-])cc(I)c2Br)c1 ZINC000004802425 552486896 /nfs/dbraw/zinc/48/68/96/552486896.db2.gz NAPONEMGAGEMIN-UHFFFAOYSA-N 0 0 653.790 5.904 40 5 KKBBRN O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004974681 552490898 /nfs/dbraw/zinc/49/08/98/552490898.db2.gz VBDBDZHLJKDSSB-JCCQREKTSA-N 0 0 569.610 5.864 40 5 KKBBRN CC=c1c(C)c2cc3nc(c4cc(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@H](CCC(=O)OC)[C@@H]3C ZINC000005439067 552502321 /nfs/dbraw/zinc/50/23/21/552502321.db2.gz RYLBYBPLWNFWPG-PGRDOPGGSA-N 0 0 548.687 7.302 40 5 KKBBRN Clc1cccc2c1nc1ccccc1c2SCCCCCSc1c2ccccc2nc2c(Cl)cccc21 ZINC000005487926 552503054 /nfs/dbraw/zinc/50/30/54/552503054.db2.gz DFADYPPFVRULAJ-UHFFFAOYSA-N 0 0 559.587 10.451 40 5 KKBBRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000006148161 552549471 /nfs/dbraw/zinc/54/94/71/552549471.db2.gz PLSFSLYZBJULCD-UHFFFAOYSA-N 0 0 536.570 5.353 40 5 KKBBRN C[C@H](Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177165 552559915 /nfs/dbraw/zinc/55/99/15/552559915.db2.gz FOOMBHODKNMLIP-INIZCTEOSA-N 0 0 508.991 5.560 40 5 KKBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccc(C)cc2)cc1 ZINC000006280103 552576225 /nfs/dbraw/zinc/57/62/25/552576225.db2.gz DVWTWWUKFIDWJW-UHFFFAOYSA-N 0 0 519.583 5.111 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000006280793 552576753 /nfs/dbraw/zinc/57/67/53/552576753.db2.gz VJLZZKHAEWKLRE-MRXNPFEDSA-N 0 0 538.427 6.033 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000006474487 552592693 /nfs/dbraw/zinc/59/26/93/552592693.db2.gz NUASTRRTMWTJHJ-UHFFFAOYSA-N 0 0 507.575 6.240 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474822 552593208 /nfs/dbraw/zinc/59/32/08/552593208.db2.gz XPAZKSFCQBORFR-UHFFFAOYSA-N 0 0 510.373 5.336 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008384509 552989636 /nfs/dbraw/zinc/98/96/36/552989636.db2.gz XBOGRTOMCIHQIO-UHFFFAOYSA-N 0 0 678.667 5.565 40 5 KKBBRN COc1ccc2c3nccc4c5cc(OCC(=O)Nc6ccc(C(C)C)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792159 553147488 /nfs/dbraw/zinc/14/74/88/553147488.db2.gz SOXFJTXUPDXKHA-UHFFFAOYSA-N 0 0 521.573 5.750 40 5 biogenic KKBBRN COc1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)=NN2c2ccccc2)cc1 ZINC000008856703 553167518 /nfs/dbraw/zinc/16/75/18/553167518.db2.gz CVOZSTDJJVKERB-WJOKGBTCSA-N 0 0 520.592 6.956 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000008927190 553191597 /nfs/dbraw/zinc/19/15/97/553191597.db2.gz VFILCUMPYXSAII-BRLSFAGNSA-N 0 0 550.721 8.218 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000009030445 553201596 /nfs/dbraw/zinc/20/15/96/553201596.db2.gz HKFJVNIGJBLCSU-UHFFFAOYSA-N 0 0 516.531 5.158 40 5 KKBBRN O=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000009313380 553241074 /nfs/dbraw/zinc/24/10/74/553241074.db2.gz NMHDINZUWSXCHF-XJYHXZFBSA-N 0 0 500.554 6.345 40 5 KKBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041712 553327003 /nfs/dbraw/zinc/32/70/03/553327003.db2.gz BKJPSGUKHLKUJN-LJAQVGFWSA-N 0 0 508.530 5.010 40 5 KKBBRN O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011990744 553349872 /nfs/dbraw/zinc/34/98/72/553349872.db2.gz QOGOWCLXSZOUGF-DJYXNWAGSA-N 0 0 501.029 6.229 40 5 KKBBRN Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)n3C)cc12 ZINC000013401688 553459026 /nfs/dbraw/zinc/45/90/26/553459026.db2.gz SMPWGDCPTJSFHM-UHFFFAOYSA-N 0 0 519.612 5.138 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014135412 553502619 /nfs/dbraw/zinc/50/26/19/553502619.db2.gz TWMQCIYYYJYDAJ-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274719 553507620 /nfs/dbraw/zinc/50/76/20/553507620.db2.gz PRFZPUCNKDISQI-UHFFFAOYSA-N 0 0 503.609 5.599 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014277918 553510439 /nfs/dbraw/zinc/51/04/39/553510439.db2.gz FCUDALUVMPMZLX-UHFFFAOYSA-N 0 0 504.974 7.032 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014278262 553510785 /nfs/dbraw/zinc/51/07/85/553510785.db2.gz ZEWHMGWCTQWIPP-UHFFFAOYSA-N 0 0 509.905 7.722 40 5 KKBBRN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278904 553511057 /nfs/dbraw/zinc/51/10/57/553511057.db2.gz CAGJIAOXBBDEQZ-UHFFFAOYSA-N 0 0 515.353 5.243 40 5 KKBBRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2 ZINC000015015546 553525777 /nfs/dbraw/zinc/52/57/77/553525777.db2.gz LAXHIHZYLSOMFM-DEOSSOPVSA-N 0 0 503.584 6.801 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000016267940 553558017 /nfs/dbraw/zinc/55/80/17/553558017.db2.gz BQJFCSADHFYDHX-VURMDHGXSA-N 0 0 516.348 5.467 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000070665229 553596058 /nfs/dbraw/zinc/59/60/58/553596058.db2.gz HCSFRBRVRMVEBY-MIIHLGMYSA-N 0 0 652.916 10.668 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020153075 553597198 /nfs/dbraw/zinc/59/71/98/553597198.db2.gz PKRBONDRJQRTHM-UHFFFAOYSA-N 0 0 514.991 5.118 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020153235 553597698 /nfs/dbraw/zinc/59/76/98/553597698.db2.gz YMPGUWFRKOSFQW-UHFFFAOYSA-N 0 0 514.991 5.118 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1-c1ccc(CO)o1 ZINC000020153286 553597754 /nfs/dbraw/zinc/59/77/54/553597754.db2.gz BTASKHGHOKRHJY-UHFFFAOYSA-N 0 0 508.600 5.019 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000019856053 553625925 /nfs/dbraw/zinc/62/59/25/553625925.db2.gz IQORIUJSAPQPEN-UHFFFAOYSA-N 0 0 507.490 5.064 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000019856839 553628445 /nfs/dbraw/zinc/62/84/45/553628445.db2.gz ATACNBDIJDEZAL-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000070708441 553632825 /nfs/dbraw/zinc/63/28/25/553632825.db2.gz ZRJIYMDAZVLMJE-INIZCTEOSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000019929284 553634343 /nfs/dbraw/zinc/63/43/43/553634343.db2.gz FRPFPNVHVCENLA-UHFFFAOYSA-N 0 0 503.751 5.556 40 5 KKBBRN Brc1ccc2c(c1)c(-c1cccc3ccccc31)c1ccccc1c2-c1cccc2ccccc21 ZINC000072190304 553645959 /nfs/dbraw/zinc/64/59/59/553645959.db2.gz LMXOZFCNVIVYSH-UHFFFAOYSA-N 0 0 509.446 10.396 40 5 KKBBRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000020448316 553650412 /nfs/dbraw/zinc/65/04/12/553650412.db2.gz HOMLQKOAACQELV-UHFFFAOYSA-N 0 0 511.581 5.204 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)c2)cc1 ZINC000020494507 553666931 /nfs/dbraw/zinc/66/69/31/553666931.db2.gz JSPICIQUOLEAKA-ZTKZIYFRSA-N 0 0 504.586 7.303 40 5 KKBBRN COc1ccc([C@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 ZINC000082178346 553674480 /nfs/dbraw/zinc/67/44/80/553674480.db2.gz GLCKNHHVKAHVQM-NSOVKSMOSA-N 0 0 632.536 6.295 40 5 KKBBRN O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000082190926 553675744 /nfs/dbraw/zinc/67/57/44/553675744.db2.gz ZMKQXKHGOTXVSE-NBDJWBGESA-N 0 0 690.676 7.112 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020106694 553689952 /nfs/dbraw/zinc/68/99/52/553689952.db2.gz REHYQXQVIGMEPK-VWLOTQADSA-N 0 0 525.627 5.011 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020106696 553690247 /nfs/dbraw/zinc/69/02/47/553690247.db2.gz REHYQXQVIGMEPK-RUZDIDTESA-N 0 0 525.627 5.011 40 5 KKBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000021123816 553707265 /nfs/dbraw/zinc/70/72/65/553707265.db2.gz WBQIJCHYFUNUBK-LICLKQGHSA-N 0 0 522.561 5.469 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000095681894 553707992 /nfs/dbraw/zinc/70/79/92/553707992.db2.gz GNGIRESQFWDUEA-UHFFFAOYSA-N 0 0 538.472 5.465 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096022734 553722307 /nfs/dbraw/zinc/72/23/07/553722307.db2.gz CSEVLRDDKRAYBV-AMDUHLOVSA-N 0 0 612.599 5.685 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022822447 553751667 /nfs/dbraw/zinc/75/16/67/553751667.db2.gz GCVMUPQAXVQQRV-SFHVURJKSA-N 0 0 500.555 6.005 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022822677 553751832 /nfs/dbraw/zinc/75/18/32/553751832.db2.gz WHDRHYKDHYUDLK-VRXKTSEUSA-N 0 0 500.580 6.443 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000022832099 553755531 /nfs/dbraw/zinc/75/55/31/553755531.db2.gz SUEAFFPSPGQOHH-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000022832108 553755569 /nfs/dbraw/zinc/75/55/69/553755569.db2.gz PPWFTLWAQNXVBI-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@@H](c5ccccc5)C[C@H]6C(F)F)nc34)c21 ZINC000097945899 553775461 /nfs/dbraw/zinc/77/54/61/553775461.db2.gz INDMANXMLOJNSL-ZBFHGGJFSA-N 0 0 538.534 6.360 40 5 KKBBRN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024522216 553790851 /nfs/dbraw/zinc/79/08/51/553790851.db2.gz FZVMOOFXXONPOU-UHFFFAOYSA-N 0 0 510.531 5.290 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000097954253 553822620 /nfs/dbraw/zinc/82/26/20/553822620.db2.gz WEYAEDVRPLAJQN-GVAUOCQISA-N 0 0 534.355 6.106 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000097954850 553826051 /nfs/dbraw/zinc/82/60/51/553826051.db2.gz XPVKFGFAWTVPEG-GVAUOCQISA-N 0 0 534.355 6.106 40 5 KKBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 ZINC000027515748 553826728 /nfs/dbraw/zinc/82/67/28/553826728.db2.gz UTTUKLGJFUFVEZ-SANMLTNESA-N 0 0 512.497 5.928 40 5 KKBBRN O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029501114 553846237 /nfs/dbraw/zinc/84/62/37/553846237.db2.gz HZBKGOAPKBNSFI-UHFFFAOYSA-N 0 0 664.723 5.802 40 5 KKBBRN CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1cccc([N+](=O)[O-])c1 ZINC000031830092 553862039 /nfs/dbraw/zinc/86/20/39/553862039.db2.gz SJGVDMBAYALBRI-UHFFFAOYSA-N 0 0 524.621 6.232 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C\C=C(\C)CCC=C(C)C ZINC000032787678 553874827 /nfs/dbraw/zinc/87/48/27/553874827.db2.gz OAIJSZIZWZSQBC-GZVPDMSFSA-N 0 0 536.888 12.938 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033742058 553971575 /nfs/dbraw/zinc/97/15/75/553971575.db2.gz WEDDCVJQASLXLT-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000098000291 554049862 /nfs/dbraw/zinc/04/98/62/554049862.db2.gz SEYMZTBNRWSFSB-DTXPUJKBSA-N 0 0 565.582 5.624 40 5 KKBBRN CCOC(=O)C(CCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC ZINC000035585966 554061525 /nfs/dbraw/zinc/06/15/25/554061525.db2.gz XOAFZTJVKGZJIW-UHFFFAOYSA-N 0 0 521.566 5.742 40 5 KKBBRN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000100159382 554234069 /nfs/dbraw/zinc/23/40/69/554234069.db2.gz QSDRKYOLHUVAOW-UHFFFAOYSA-N 0 0 540.963 7.188 40 5 KKBBRN Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000100239264 554260025 /nfs/dbraw/zinc/26/00/25/554260025.db2.gz IPNOEJKGVICOJE-PCWGPIHSSA-N 0 0 543.620 5.146 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100264039 554266299 /nfs/dbraw/zinc/26/62/99/554266299.db2.gz HZGLEXWOXFTISL-RGFRMHDHSA-N 0 0 583.507 5.867 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100308020 554296299 /nfs/dbraw/zinc/29/62/99/554296299.db2.gz UUMGVPAVMBFNCK-KEPJHFNWSA-N 0 0 613.095 5.363 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Br ZINC000100321745 554306034 /nfs/dbraw/zinc/30/60/34/554306034.db2.gz UXJPEALUOAMPFD-UHFFFAOYSA-N 0 0 527.809 5.270 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000100331253 554314060 /nfs/dbraw/zinc/31/40/60/554314060.db2.gz CADVJEXUNDDBFV-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1 ZINC000100340360 554324922 /nfs/dbraw/zinc/32/49/22/554324922.db2.gz OBQTUZMERTUGEI-OEAKJJBVSA-N 0 0 524.982 6.462 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000100353449 554332223 /nfs/dbraw/zinc/33/22/23/554332223.db2.gz CSOKZAWDMZFJGE-UCQKPKSFSA-N 0 0 554.049 6.637 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000100361666 554345645 /nfs/dbraw/zinc/34/56/45/554345645.db2.gz YUSCKHNBRIYTRW-SRZZPIQSSA-N 0 0 522.451 5.440 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100362199 554346299 /nfs/dbraw/zinc/34/62/99/554346299.db2.gz OSWIZGQMHLNIQU-JVWAILMASA-N 0 0 526.570 6.572 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100363574 554348000 /nfs/dbraw/zinc/34/80/00/554348000.db2.gz AYDZPIGZVFYDLX-YDZHTSKRSA-N 0 0 521.507 5.327 40 5 KKBBRN 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/nfs/dbraw/zinc/96/82/97/554968297.db2.gz ICIAMULZLRCHHA-KCHLEUMXSA-N 0 0 555.974 5.878 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102562016 554968317 /nfs/dbraw/zinc/96/83/17/554968317.db2.gz ICIAMULZLRCHHA-IARZGTGTSA-N 0 0 555.974 5.878 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000102572846 554971055 /nfs/dbraw/zinc/97/10/55/554971055.db2.gz MPZOSKBBYXZCJU-CONSDPRKSA-N 0 0 535.604 5.744 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000102581399 554972582 /nfs/dbraw/zinc/97/25/82/554972582.db2.gz CJZVLLGDGRUDAW-UHFFFAOYSA-N 0 0 623.456 5.218 40 5 KKBBRN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000102628982 554988720 /nfs/dbraw/zinc/98/87/20/554988720.db2.gz UQKSLBRYIUYXPL-UHFFFAOYSA-N 0 0 528.926 5.125 40 5 KKBBRN CCCC(=O)N(c1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102628971 554988729 /nfs/dbraw/zinc/98/87/29/554988729.db2.gz RXNYVMNQDZWZHQ-UHFFFAOYSA-N 0 0 571.007 6.360 40 5 KKBBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000102675568 555003755 /nfs/dbraw/zinc/00/37/55/555003755.db2.gz VAMMHMBTLSBKCE-CNTDHZNPSA-N 0 0 507.652 8.152 40 5 KKBBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000102675570 555003836 /nfs/dbraw/zinc/00/38/36/555003836.db2.gz VAMMHMBTLSBKCE-DGMPMNQPSA-N 0 0 507.652 8.152 40 5 KKBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102761298 555052382 /nfs/dbraw/zinc/05/23/82/555052382.db2.gz AOALKDZKDYFDQM-XPWALMASSA-N 0 0 512.349 5.515 40 5 KKBBRN C[C@H]1[C@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@@]12CC[C@H](C)CO2 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571.589 5.585 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103529150 555429679 /nfs/dbraw/zinc/42/96/79/555429679.db2.gz HJDDQLIAYWPZHU-NIKYWZLZSA-N 0 0 571.589 5.585 40 5 KKBBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103529088 555429708 /nfs/dbraw/zinc/42/97/08/555429708.db2.gz KYSWBXRMYWBYRO-PBNWVGGGSA-N 0 0 559.553 5.716 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000103531076 555431170 /nfs/dbraw/zinc/43/11/70/555431170.db2.gz UHWKOJZFHIODKF-KIHHCIJBSA-N 0 0 534.355 5.174 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103533406 555433726 /nfs/dbraw/zinc/43/37/26/555433726.db2.gz ZYXGEGNZIYMEEU-GCZHVTBPSA-N 0 0 555.590 5.885 40 5 KKBBRN 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O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000103892743 571368873 /nfs/dbraw/zinc/36/88/73/571368873.db2.gz ROPLHXXKKIHDLX-UHFFFAOYSA-N 0 0 583.720 7.567 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N12)c1ccccc1 ZINC000103901141 571368939 /nfs/dbraw/zinc/36/89/39/571368939.db2.gz QHFYVXFTSTVDLU-OIIADRAWSA-N 0 0 549.970 5.674 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000103933031 571370231 /nfs/dbraw/zinc/37/02/31/571370231.db2.gz ZVVGEXYOBMOBGH-UHFFFAOYSA-N 0 0 535.453 6.063 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000103973498 571370594 /nfs/dbraw/zinc/37/05/94/571370594.db2.gz YZABQCDDSCIHOQ-KWBMWPQYSA-N 0 0 585.616 5.626 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222558057 571370977 /nfs/dbraw/zinc/37/09/77/571370977.db2.gz 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571394018 /nfs/dbraw/zinc/39/40/18/571394018.db2.gz UCMQRFSKKMJRNK-UHFFFAOYSA-N 0 0 570.458 6.827 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306299 571394028 /nfs/dbraw/zinc/39/40/28/571394028.db2.gz ZWOHSYIJBXVRFJ-UHFFFAOYSA-N 0 0 572.430 5.673 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000105306345 571394033 /nfs/dbraw/zinc/39/40/33/571394033.db2.gz PESPRYXCKIZIBN-UHFFFAOYSA-N 0 0 566.039 5.582 40 5 KKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000105306369 571394100 /nfs/dbraw/zinc/39/41/00/571394100.db2.gz FTPIGRPBAXRQMK-UHFFFAOYSA-N 0 0 545.621 5.292 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000105306563 571394112 /nfs/dbraw/zinc/39/41/12/571394112.db2.gz HKDMZELFKVXWCE-UHFFFAOYSA-N 0 0 545.621 5.490 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306506 571394125 /nfs/dbraw/zinc/39/41/25/571394125.db2.gz CECWJTPUMYMYDT-UHFFFAOYSA-N 0 0 574.446 5.117 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306629 571394244 /nfs/dbraw/zinc/39/42/44/571394244.db2.gz UDLIGKPENYIKNX-UHFFFAOYSA-N 0 0 582.436 5.129 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306671 571394252 /nfs/dbraw/zinc/39/42/52/571394252.db2.gz FLIAIFBVEWTIKR-UHFFFAOYSA-N 0 0 572.430 5.673 40 5 KKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000105307861 571394798 /nfs/dbraw/zinc/39/47/98/571394798.db2.gz OFDPIJYDJGXUNC-UHFFFAOYSA-N 0 0 536.013 6.092 40 5 KKBBRN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000105307891 571394860 /nfs/dbraw/zinc/39/48/60/571394860.db2.gz SRVLIVVJBFWCFM-UHFFFAOYSA-N 0 0 529.622 6.001 40 5 KKBBRN 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O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105311629 571396853 /nfs/dbraw/zinc/39/68/53/571396853.db2.gz CRSSOFVSCXRCKD-UHFFFAOYSA-N 0 0 569.451 7.565 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105312215 571397157 /nfs/dbraw/zinc/39/71/57/571397157.db2.gz SPRVABXNQODLDR-UHFFFAOYSA-N 0 0 517.954 6.178 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 ZINC000105312595 571397351 /nfs/dbraw/zinc/39/73/51/571397351.db2.gz DMMIKELWMUHPJF-QGZVFWFLSA-N 0 0 540.601 7.303 40 5 KKBBRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105312719 571397475 /nfs/dbraw/zinc/39/74/75/571397475.db2.gz XTBIUCPRYYXYEL-UHFFFAOYSA-N 0 0 531.594 5.529 40 5 KKBBRN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000105312936 571397601 /nfs/dbraw/zinc/39/76/01/571397601.db2.gz QWBJBYMTXDHTNX-UHFFFAOYSA-N 0 0 529.622 6.137 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000105313365 571397755 /nfs/dbraw/zinc/39/77/55/571397755.db2.gz RTDPELNFOJKKRN-UHFFFAOYSA-N 0 0 524.558 6.205 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105313517 571397915 /nfs/dbraw/zinc/39/79/15/571397915.db2.gz MBTOEINDBPJWKO-UHFFFAOYSA-N 0 0 564.377 5.947 40 5 KKBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000105315026 571398794 /nfs/dbraw/zinc/39/87/94/571398794.db2.gz VUUPXNXQJNHLCU-UHFFFAOYSA-N 0 0 554.028 5.236 40 5 KKBBRN COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1Cl ZINC000105315028 571398817 /nfs/dbraw/zinc/39/88/17/571398817.db2.gz ATKQVQKMALSNEY-UHFFFAOYSA-N 0 0 550.980 5.896 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105315332 571399049 /nfs/dbraw/zinc/39/90/49/571399049.db2.gz HCHZXESDJOVHGO-UHFFFAOYSA-N 0 0 528.590 5.485 40 5 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571417178 /nfs/dbraw/zinc/41/71/78/571417178.db2.gz OGNQGQRBXLJJAZ-XKZIYDEJSA-N 0 0 616.389 5.664 40 5 KKBBRN O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106743284 571417346 /nfs/dbraw/zinc/41/73/46/571417346.db2.gz YNHOHWOGHYJUTA-NHDPSOOVSA-N 0 0 545.451 6.551 40 5 KKBBRN COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 ZINC000106745894 571417449 /nfs/dbraw/zinc/41/74/49/571417449.db2.gz BGACDDSEMCOEBN-FMCGGJTJSA-N 0 0 565.516 5.327 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000106745314 571417468 /nfs/dbraw/zinc/41/74/68/571417468.db2.gz NXKOTMPRWRVFJO-KSEXSDGBSA-N 0 0 545.400 6.726 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745578 571417507 /nfs/dbraw/zinc/41/75/07/571417507.db2.gz QKCBZHIHRNUCNQ-CFRMEGHHSA-N 0 0 503.967 6.488 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 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CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223054108 571426416 /nfs/dbraw/zinc/42/64/16/571426416.db2.gz YAJKJLUXEBRULS-LEWJYISDSA-N 0 0 665.596 5.746 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000108966096 571427840 /nfs/dbraw/zinc/42/78/40/571427840.db2.gz FBHVDGWFSULKDE-ASUJOLEISA-N 0 0 562.691 5.892 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000109038656 571428189 /nfs/dbraw/zinc/42/81/89/571428189.db2.gz WSTBKRNXKZONTE-ZGOFBEGVSA-N 0 0 557.628 5.090 40 5 KKBBRN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000109088127 571428480 /nfs/dbraw/zinc/42/84/80/571428480.db2.gz PHEBIZHHLIFSFX-UHFFFAOYSA-N 0 0 529.424 6.114 40 5 KKBBRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223076409 571428603 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O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000109943686 571430354 /nfs/dbraw/zinc/43/03/54/571430354.db2.gz LZYPLVZZOPJPCE-UHFFFAOYSA-N 0 0 546.948 5.436 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000109975343 571430418 /nfs/dbraw/zinc/43/04/18/571430418.db2.gz LFAGUAGRUXAMIM-FUFNRSNVSA-N 0 0 571.655 5.398 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000111465288 571432416 /nfs/dbraw/zinc/43/24/16/571432416.db2.gz ZPAKUOWTKIYXLL-CLNXTWJPSA-N 0 0 591.645 5.412 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465626 571432579 /nfs/dbraw/zinc/43/25/79/571432579.db2.gz HVDFKCHSFANVBU-ZHGFHMGHSA-N 0 0 591.645 5.412 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000111470358 571433016 /nfs/dbraw/zinc/43/30/16/571433016.db2.gz HZOZERJPRCYFKJ-JLKMOJGBSA-N 0 0 615.708 5.879 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000111470806 571433202 /nfs/dbraw/zinc/43/32/02/571433202.db2.gz SNLGYPRJUPWWPV-CLNXTWJPSA-N 0 0 623.712 5.826 40 5 KKBBRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000112185001 571433799 /nfs/dbraw/zinc/43/37/99/571433799.db2.gz QYVMVDBOJLVRTF-ACAGNQJTSA-N 0 0 516.529 5.126 40 5 KKBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000112234195 571434607 /nfs/dbraw/zinc/43/46/07/571434607.db2.gz XYHZIULQAKZBCJ-UHFFFAOYSA-N 0 0 526.644 5.060 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1sc2cc(Cl)ccc2c1Cl ZINC000112237609 571434848 /nfs/dbraw/zinc/43/48/48/571434848.db2.gz LDLQPUUCSFHTNJ-UHFFFAOYSA-N 0 0 563.410 5.972 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)cc1 ZINC000112243175 571435334 /nfs/dbraw/zinc/43/53/34/571435334.db2.gz LRVOTIKEBHLTOA-UHFFFAOYSA-N 0 0 561.664 5.108 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000112244938 571435592 /nfs/dbraw/zinc/43/55/92/571435592.db2.gz FGVDJSGCRWZLIY-UHFFFAOYSA-N 0 0 583.386 5.473 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000112260728 571437862 /nfs/dbraw/zinc/43/78/62/571437862.db2.gz AKQTVJGEGMAVCW-UHFFFAOYSA-N 0 0 542.828 5.693 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223199342 571443872 /nfs/dbraw/zinc/44/38/72/571443872.db2.gz CSPAGEWQDOXQGK-NDEPHWFRSA-N 0 0 624.760 5.138 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223212276 571445820 /nfs/dbraw/zinc/44/58/20/571445820.db2.gz WFIJXUSPPBJZAO-QFIPXVFZSA-N 0 0 631.151 5.094 40 5 KKBBRN 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0 0 525.627 5.108 40 5 KKBBRN O=C1S/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N1c1ccccc1 ZINC000147251232 571456739 /nfs/dbraw/zinc/45/67/39/571456739.db2.gz AXFLXJDYPFUTDX-XHLNEMQHSA-N 0 0 543.604 7.960 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223304722 571458089 /nfs/dbraw/zinc/45/80/89/571458089.db2.gz WILASZWLALVIKG-OAQYLSRUSA-N 0 0 665.596 5.748 40 5 KKBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223307248 571458522 /nfs/dbraw/zinc/45/85/22/571458522.db2.gz DYPYJRSJYPDWQY-HSZRJFAPSA-N 0 0 671.987 5.621 40 5 KKBBRN O=Cc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000150342497 571458666 /nfs/dbraw/zinc/45/86/66/571458666.db2.gz ICUCVEDZZXQQMZ-UHFFFAOYSA-N 0 0 642.762 11.351 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223319679 571459887 /nfs/dbraw/zinc/45/98/87/571459887.db2.gz BXBRPKCSODVSJL-VWLOTQADSA-N 0 0 526.058 5.258 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223323180 571460409 /nfs/dbraw/zinc/46/04/09/571460409.db2.gz LBTIIFCCSXHCLY-SANMLTNESA-N 0 0 601.125 5.166 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223332511 571461609 /nfs/dbraw/zinc/46/16/09/571461609.db2.gz PLEJTPHZNDPFHH-INIZCTEOSA-N 0 0 512.459 5.468 40 5 KKBBRN CCCCCOc1ccccc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150352099 571462348 /nfs/dbraw/zinc/46/23/48/571462348.db2.gz KLAXDZYINVRTAJ-UEUGGCQPSA-N 0 0 656.761 5.960 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223338754 571462678 /nfs/dbraw/zinc/46/26/78/571462678.db2.gz HCGHPQHZTXIVBT-FQEVSTJZSA-N 0 0 621.543 5.431 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150353475 571462776 /nfs/dbraw/zinc/46/27/76/571462776.db2.gz DPQGVCQRZLHPCK-UHFFFAOYSA-N 0 0 867.743 5.157 40 5 KKBBRN CCCCNC(=S)C(=O)Nc1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(NC(=O)C(=S)NCCCC)cc2Cl)c(Cl)c1 ZINC000150360425 571463707 /nfs/dbraw/zinc/46/37/07/571463707.db2.gz AOTIDXAAUMPAQC-UHFFFAOYSA-N 0 0 674.676 7.393 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000150362845 571464137 /nfs/dbraw/zinc/46/41/37/571464137.db2.gz KHOVAQXZWCCUJG-KZNMCXCVSA-N 0 0 684.601 7.511 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150363284 571464217 /nfs/dbraw/zinc/46/42/17/571464217.db2.gz RVQKMMACMOUOJV-BQCQJZCVSA-N 0 0 692.662 5.273 40 5 KKBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223351702 571464491 /nfs/dbraw/zinc/46/44/91/571464491.db2.gz GGMLBHZTICXWQP-QHCPKHFHSA-N 0 0 671.987 5.621 40 5 KKBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1c2nc(C)c(=O)oc2c(C)c2c1Nc1c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)cc([N+](=O)[O-])c(C)c1O2 ZINC000150382660 571467341 /nfs/dbraw/zinc/46/73/41/571467341.db2.gz XOGADTAGGCEDNQ-FCHUYYIVSA-N 0 0 709.753 5.286 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000150385457 571468826 /nfs/dbraw/zinc/46/88/26/571468826.db2.gz OTSWGEXAPSKEOH-WSDLNYQXSA-N 0 0 620.396 6.163 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223383530 571468948 /nfs/dbraw/zinc/46/89/48/571468948.db2.gz LTYLRRISWBPPPC-RUZDIDTESA-N 0 0 679.623 6.136 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223385412 571469352 /nfs/dbraw/zinc/46/93/52/571469352.db2.gz MWNIAPKQEMLGDM-HXUWFJFHSA-N 0 0 621.543 5.431 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000150389467 571471779 /nfs/dbraw/zinc/47/17/79/571471779.db2.gz GEBHDBBRWZCTMO-VAJXBNCCSA-N 0 0 693.359 6.044 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223402272 571471888 /nfs/dbraw/zinc/47/18/88/571471888.db2.gz AAMXNHWPVLWCFE-HXUWFJFHSA-N 0 0 700.041 6.401 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000150389678 571471970 /nfs/dbraw/zinc/47/19/70/571471970.db2.gz IZWBNTUQVSYALQ-LRAMOIDDSA-N 0 0 668.522 5.055 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150390369 571472773 /nfs/dbraw/zinc/47/27/73/571472773.db2.gz JKDUVCMZFAACKV-SFKHYTNKSA-N 0 0 630.078 5.782 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000150391808 571474099 /nfs/dbraw/zinc/47/40/99/571474099.db2.gz UBDVGMBZVBDAFB-FWESEHMYSA-N 0 0 642.089 5.766 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)c1 ZINC000150393264 571474915 /nfs/dbraw/zinc/47/49/15/571474915.db2.gz AFWZADWGXQXQAK-PKYOQBLNSA-N 0 0 671.529 5.813 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 ZINC000150393809 571475293 /nfs/dbraw/zinc/47/52/93/571475293.db2.gz IOXTVMNWZOKZBI-ZTJHJZSNSA-N 0 0 661.523 6.358 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223432054 571475626 /nfs/dbraw/zinc/47/56/26/571475626.db2.gz WHJBRILSKCHHKU-FIPFOOKPSA-N 0 0 533.694 5.691 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150394589 571475647 /nfs/dbraw/zinc/47/56/47/571475647.db2.gz LIIGXLRLZOOLLE-KUSDHMTMSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000150395389 571475927 /nfs/dbraw/zinc/47/59/27/571475927.db2.gz WDAVDZSCFUPELN-JDDPAHLESA-N 0 0 676.534 6.419 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150395440 571475935 /nfs/dbraw/zinc/47/59/35/571475935.db2.gz UVGJMOJACOUNKW-FUZBLHKMSA-N 0 0 659.764 6.546 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395740 571476133 /nfs/dbraw/zinc/47/61/33/571476133.db2.gz OGGDEJUTUNNCBC-HNVAQCFTSA-N 0 0 665.724 5.738 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150396354 571476520 /nfs/dbraw/zinc/47/65/20/571476520.db2.gz IBTSDLRCJZHCSY-JOHYPREOSA-N 0 0 649.725 6.236 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150396610 571476550 /nfs/dbraw/zinc/47/65/50/571476550.db2.gz HZYVGWLNGJBTNY-OINPTKSXSA-N 0 0 658.157 6.479 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223451035 571478562 /nfs/dbraw/zinc/47/85/62/571478562.db2.gz NRPWQTKGVXHFAT-JADSYQMUSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223454924 571478962 /nfs/dbraw/zinc/47/89/62/571478962.db2.gz JPVQFCNWWDDWFR-QRRWFCJLSA-N 0 0 721.276 6.624 40 5 KKBBRN C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 ZINC000224140554 571484707 /nfs/dbraw/zinc/48/47/07/571484707.db2.gz UTKHQSYKDLFZIW-YFGXVBGTSA-N 0 0 587.149 7.093 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 ZINC000224140432 571484728 /nfs/dbraw/zinc/48/47/28/571484728.db2.gz JFOZYGXJNYIJSE-JPNDCQDCSA-N 0 0 587.149 7.093 40 5 KKBBRN O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000150413727 571484906 /nfs/dbraw/zinc/48/49/06/571484906.db2.gz DPQPFEIYZXENAY-XPNTWCBSSA-N 0 0 658.939 6.135 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)o1 ZINC000224146494 571485975 /nfs/dbraw/zinc/48/59/75/571485975.db2.gz HHDGKRXRCXNLAO-VKLFLUPASA-N 0 0 618.159 7.571 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223501624 571487941 /nfs/dbraw/zinc/48/79/41/571487941.db2.gz KPRUAWKCVHZGBI-VWLOTQADSA-N 0 0 570.509 5.367 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223505354 571488765 /nfs/dbraw/zinc/48/87/65/571488765.db2.gz TZAYBJLXXWBWSC-AREMUKBSSA-N 0 0 635.570 5.819 40 5 KKBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)c2ccccc2C(C2=CC=C(Br)CC2)=NN3c2ccccc2)cc1 ZINC000150425649 571489879 /nfs/dbraw/zinc/48/98/79/571489879.db2.gz GIAUJCPYNGTSAZ-XIFFEERXSA-N 0 0 634.559 8.544 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224172996 571490573 /nfs/dbraw/zinc/49/05/73/571490573.db2.gz NDKRRVCILWFTMB-XIFFEERXSA-N 0 0 672.804 5.662 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224174614 571490915 /nfs/dbraw/zinc/49/09/15/571490915.db2.gz HRIINECKVPIOHP-XIFFEERXSA-N 0 0 693.222 5.927 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224178639 571491576 /nfs/dbraw/zinc/49/15/76/571491576.db2.gz JRURXVDYOIJDCK-YTTGMZPUSA-N 0 0 727.667 6.580 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224207335 571496761 /nfs/dbraw/zinc/49/67/61/571496761.db2.gz LUEUIOVLHODYPS-HKBQPEDESA-N 0 0 649.169 5.610 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223546400 571499054 /nfs/dbraw/zinc/49/90/54/571499054.db2.gz HHBSGKILHPPXCI-FQRUVTKNSA-N 0 0 508.018 5.346 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000150443604 571499458 /nfs/dbraw/zinc/49/94/58/571499458.db2.gz VCXVZBMCNCFKPC-FBHDLOMBSA-N 0 0 672.273 8.476 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000150444051 571499552 /nfs/dbraw/zinc/49/95/52/571499552.db2.gz UWVJEFDVJMEXNK-UUYOSTAYSA-N 0 0 618.303 7.244 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224221031 571500018 /nfs/dbraw/zinc/50/00/18/571500018.db2.gz RCAFLPMAHYLVLX-NDEPHWFRSA-N 0 0 671.216 5.935 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223564854 571503158 /nfs/dbraw/zinc/50/31/58/571503158.db2.gz COKNJDCZMQWDQX-RUZDIDTESA-N 0 0 714.068 6.789 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224246301 571505292 /nfs/dbraw/zinc/50/52/92/571505292.db2.gz CGVOPIPHFCZGJU-AREMUKBSSA-N 0 0 540.085 5.648 40 5 KKBBRN COc1c(I)cc(I)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000150463433 571507375 /nfs/dbraw/zinc/50/73/75/571507375.db2.gz BWFQJONMNSQJBX-CHHVJCJISA-N 0 0 622.178 5.049 40 5 KKBBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000150463524 571507274 /nfs/dbraw/zinc/50/72/74/571507274.db2.gz FPQWFUKZGNJNBB-UUYOSTAYSA-N 0 0 618.303 7.244 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000150466184 571507791 /nfs/dbraw/zinc/50/77/91/571507791.db2.gz KZTSPTWXHJAANS-ONUIUJJFSA-N 0 0 641.540 7.358 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224260190 571508636 /nfs/dbraw/zinc/50/86/36/571508636.db2.gz STDNHDDMGLHWPH-MHZLTWQESA-N 0 0 533.694 5.691 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCCC1 ZINC000150470789 571509394 /nfs/dbraw/zinc/50/93/94/571509394.db2.gz GHYSLAMXIVHQPL-NDENLUEZSA-N 0 0 639.322 5.748 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223601549 571511252 /nfs/dbraw/zinc/51/12/52/571511252.db2.gz ISKSDLFVXZHDON-ZBLYBZFDSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223602976 571511682 /nfs/dbraw/zinc/51/16/82/571511682.db2.gz POMKOXPBVOIZKA-IBVKSMDESA-N 0 0 508.018 5.346 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 ZINC000224284154 571513154 /nfs/dbraw/zinc/51/31/54/571513154.db2.gz DKPZDCDIBCDEIQ-UIOOFZCWSA-N 0 0 500.580 6.052 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224289700 571514316 /nfs/dbraw/zinc/51/43/16/571514316.db2.gz FZCFLIFKCOSRER-AREMUKBSSA-N 0 0 523.630 5.133 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223617433 571514788 /nfs/dbraw/zinc/51/47/88/571514788.db2.gz BHYTULVASYLUAZ-HKBQPEDESA-N 0 0 748.085 6.844 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223634298 571517590 /nfs/dbraw/zinc/51/75/90/571517590.db2.gz CCENTPDHLBBUQL-HHHXNRCGSA-N 0 0 659.205 5.793 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223642501 571519091 /nfs/dbraw/zinc/51/90/91/571519091.db2.gz DVZCMILBCXBLQJ-IBVKSMDESA-N 0 0 554.043 5.190 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000150509186 571519713 /nfs/dbraw/zinc/51/97/13/571519713.db2.gz DWEMGLVFJVUKRY-DHUJRADRSA-N 0 0 648.741 7.469 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223646397 571519924 /nfs/dbraw/zinc/51/99/24/571519924.db2.gz JAMMMTNSCJRYEQ-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150552893 571520952 /nfs/dbraw/zinc/52/09/52/571520952.db2.gz CKAOQDKLSCTTBS-SELCLYCASA-N 0 0 641.149 5.980 40 5 KKBBRN O=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc(-c3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150600105 571522523 /nfs/dbraw/zinc/52/25/23/571522523.db2.gz MKUGSXYWGIDVBE-UHFFFAOYSA-N 0 0 726.618 7.615 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223664015 571522798 /nfs/dbraw/zinc/52/27/98/571522798.db2.gz GZQYLQHLSNMCDY-ZOYWYXQUSA-N 0 0 646.741 5.484 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224328709 571522928 /nfs/dbraw/zinc/52/29/28/571522928.db2.gz SHJVNVGCNAYZDK-WJOKGBTCSA-N 0 0 663.196 5.998 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150626363 571523737 /nfs/dbraw/zinc/52/37/37/571523737.db2.gz BJKKCJONQIRUNW-KIHONOKQSA-N 0 0 773.387 5.011 40 5 KKBBRN O=C(NC(=S)Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000150640414 571524639 /nfs/dbraw/zinc/52/46/39/571524639.db2.gz UYINRPZGGYMEGE-UHFFFAOYSA-N 0 0 626.457 6.863 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223676063 571524923 /nfs/dbraw/zinc/52/49/23/571524923.db2.gz GVPJBIXSUWGWII-LJAQVGFWSA-N 0 0 624.760 5.139 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224346739 571527266 /nfs/dbraw/zinc/52/72/66/571527266.db2.gz ABCIEXYWRIJZMM-MGBGTMOVSA-N 0 0 676.767 5.413 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224346791 571527513 /nfs/dbraw/zinc/52/75/13/571527513.db2.gz ABCIEXYWRIJZMM-XIFFEERXSA-N 0 0 676.767 5.413 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224350831 571528270 /nfs/dbraw/zinc/52/82/70/571528270.db2.gz SSSOJSQYSNDWDO-VWLOTQADSA-N 0 0 554.043 5.190 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224353060 571528518 /nfs/dbraw/zinc/52/85/18/571528518.db2.gz DZLKXEHAOUXWPW-MRXNPFEDSA-N 0 0 512.459 5.324 40 5 KKBBRN O=c1/c(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000150931976 571529166 /nfs/dbraw/zinc/52/91/66/571529166.db2.gz OCRQUHQUBFAZEY-IVQFASICSA-N 0 0 729.450 7.331 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224358386 571529306 /nfs/dbraw/zinc/52/93/06/571529306.db2.gz YMARPSJUZMCWQA-SANMLTNESA-N 0 0 554.112 6.036 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224358114 571529325 /nfs/dbraw/zinc/52/93/25/571529325.db2.gz XSPLWYNFLCWKGF-HXUWFJFHSA-N 0 0 621.543 5.286 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224359015 571529412 /nfs/dbraw/zinc/52/94/12/571529412.db2.gz TUJPXKQKLDKQRN-VWLOTQADSA-N 0 0 508.018 5.346 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224362781 571530325 /nfs/dbraw/zinc/53/03/25/571530325.db2.gz PKYKUDJXUILUGO-HKBQPEDESA-N 0 0 663.196 5.998 40 5 KKBBRN O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161945628 571531731 /nfs/dbraw/zinc/53/17/31/571531731.db2.gz HENGGCAYFQRNIJ-UHFFFAOYSA-N 0 0 658.353 7.783 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223722242 571532738 /nfs/dbraw/zinc/53/27/38/571532738.db2.gz GGHBBUWHWURBTO-LJAQVGFWSA-N 0 0 624.760 5.139 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000163192896 571532726 /nfs/dbraw/zinc/53/27/26/571532726.db2.gz ZFWNXJKZOAJWGI-UHAPOFRNSA-N 0 0 680.580 6.577 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163198254 571532869 /nfs/dbraw/zinc/53/28/69/571532869.db2.gz FSURKSBNEWNAGW-BPOMCQNBSA-N 0 0 645.737 6.213 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163219899 571533243 /nfs/dbraw/zinc/53/32/43/571533243.db2.gz UDZZXFOMMBKDSE-YXDQGSNCSA-N 0 0 703.365 5.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000163219201 571533356 /nfs/dbraw/zinc/53/33/56/571533356.db2.gz OUIDYBJNXSQWFH-KEQCBNTKSA-N 0 0 638.496 5.046 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224378057 571533709 /nfs/dbraw/zinc/53/37/09/571533709.db2.gz VYXFCXMUVOPXEW-HKBQPEDESA-N 0 0 693.620 5.719 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163253054 571534219 /nfs/dbraw/zinc/53/42/19/571534219.db2.gz KDMGTSIJSRCJMO-FVUNBJOLSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163256592 571534361 /nfs/dbraw/zinc/53/43/61/571534361.db2.gz VVQQBJNXJYGSET-UHSYMONFSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163266814 571534419 /nfs/dbraw/zinc/53/44/19/571534419.db2.gz XJIFNQMSAHMTCO-IVQFASICSA-N 0 0 626.090 6.158 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267609 571534450 /nfs/dbraw/zinc/53/44/50/571534450.db2.gz PCGKHOWRASPINR-QQMBNGEASA-N 0 0 670.541 6.267 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163276437 571534770 /nfs/dbraw/zinc/53/47/70/571534770.db2.gz AIOKPPIGFLRHKI-YIDORKBYSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 ZINC000224383738 571534973 /nfs/dbraw/zinc/53/49/73/571534973.db2.gz BXIUFTSRRYPRBH-RRPNLBNLSA-N 0 0 514.607 6.559 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 ZINC000224383652 571534996 /nfs/dbraw/zinc/53/49/96/571534996.db2.gz BXIUFTSRRYPRBH-KAYWLYCHSA-N 0 0 514.607 6.559 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223735147 571535113 /nfs/dbraw/zinc/53/51/13/571535113.db2.gz LFKZJMXJDVJYMI-OGVWKLGRSA-N 0 0 725.239 6.454 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224384813 571535122 /nfs/dbraw/zinc/53/51/22/571535122.db2.gz QUWADFLCQRJVGI-LJAQVGFWSA-N 0 0 640.734 5.112 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000163449577 571535507 /nfs/dbraw/zinc/53/55/07/571535507.db2.gz ZLLZBSSELSWIHH-OIUASMPBSA-N 0 0 765.639 7.082 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000163449716 571535511 /nfs/dbraw/zinc/53/55/11/571535511.db2.gz ZLLZBSSELSWIHH-QQMBNGEASA-N 0 0 765.639 7.082 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224389022 571535858 /nfs/dbraw/zinc/53/58/58/571535858.db2.gz JXKYMIBQNIXLAC-INIZCTEOSA-N 0 0 512.459 5.324 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163566967 571536659 /nfs/dbraw/zinc/53/66/59/571536659.db2.gz IGFFAHZZTXYRLH-JLKMOJGBSA-N 0 0 637.645 5.218 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163623929 571538038 /nfs/dbraw/zinc/53/80/38/571538038.db2.gz XFZDBWQVOKDGES-RWTNITNYSA-N 0 0 757.368 6.897 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224402327 571538403 /nfs/dbraw/zinc/53/84/03/571538403.db2.gz RDHABWCCCSPNRV-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000163639954 571538647 /nfs/dbraw/zinc/53/86/47/571538647.db2.gz IUOPKDIWEFQVDQ-JBDWOJPXSA-N 0 0 726.811 6.848 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224407695 571539657 /nfs/dbraw/zinc/53/96/57/571539657.db2.gz CCGJWQLCNDFKBS-YTTGMZPUSA-N 0 0 725.239 6.454 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163662781 571539722 /nfs/dbraw/zinc/53/97/22/571539722.db2.gz JVDHXEKFPYPIFN-PLQXQRLBSA-N 0 0 799.949 6.095 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000163672071 571539768 /nfs/dbraw/zinc/53/97/68/571539768.db2.gz IQFDMVVFDYEKNO-DXUGRCAZSA-N 0 0 745.570 6.558 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000163673222 571540022 /nfs/dbraw/zinc/54/00/22/571540022.db2.gz IYEBMDSZKIPWAG-VYQNWNTASA-N 0 0 726.811 6.848 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223770297 571541309 /nfs/dbraw/zinc/54/13/09/571541309.db2.gz FQCRAUREHADYQE-FNZWTVRRSA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163719831 571541701 /nfs/dbraw/zinc/54/17/01/571541701.db2.gz HPVNZADDKLWRBB-PNZYDNNZSA-N 0 0 752.949 6.252 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163729498 571542067 /nfs/dbraw/zinc/54/20/67/571542067.db2.gz NBBWLRRTVMMGET-CWJUKMOQSA-N 0 0 674.529 5.891 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224420399 571542437 /nfs/dbraw/zinc/54/24/37/571542437.db2.gz VZPZTTSSLOCCRL-WJOKGBTCSA-N 0 0 693.620 5.719 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224420448 571542525 /nfs/dbraw/zinc/54/25/25/571542525.db2.gz VZPZTTSSLOCCRL-HKBQPEDESA-N 0 0 693.620 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163749777 571542676 /nfs/dbraw/zinc/54/26/76/571542676.db2.gz PORFSJKSBCWGDW-TZUCAZQYSA-N 0 0 658.689 5.539 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163772006 571543059 /nfs/dbraw/zinc/54/30/59/571543059.db2.gz XWOYZFXROMXZRC-UDHMSBBDSA-N 0 0 680.580 6.577 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163773044 571543064 /nfs/dbraw/zinc/54/30/64/571543064.db2.gz FIMBLXHMIPYKRJ-WKIZKNSPSA-N 0 0 633.701 6.344 40 5 KKBBRN CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000163769707 571543085 /nfs/dbraw/zinc/54/30/85/571543085.db2.gz MPSOESKMBRVRBE-JAYSWQADSA-N 0 0 761.379 5.835 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163768232 571543167 /nfs/dbraw/zinc/54/31/67/571543167.db2.gz QDQCIDXOXSSIAI-QQMBNGEASA-N 0 0 647.625 5.836 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000163915895 571543464 /nfs/dbraw/zinc/54/34/64/571543464.db2.gz OCQSZOSZEQNBFD-ORVZPOCUSA-N 0 0 651.053 5.069 40 5 KKBBRN C[C@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936320 571543719 /nfs/dbraw/zinc/54/37/19/571543719.db2.gz AVMMTHFOWFBPDJ-QYBDOPJKSA-N 0 0 717.612 10.066 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224431084 571544336 /nfs/dbraw/zinc/54/43/36/571544336.db2.gz GYKHIJBNAAGUGF-HKBQPEDESA-N 0 0 646.741 5.484 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224431487 571544524 /nfs/dbraw/zinc/54/45/24/571544524.db2.gz HEKBVCQUUPETQM-MGBGTMOVSA-N 0 0 737.673 6.036 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000164185277 571544561 /nfs/dbraw/zinc/54/45/61/571544561.db2.gz KPQGMGQXZNCYIL-DDIUQFJASA-N 0 0 643.718 5.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000164189296 571544597 /nfs/dbraw/zinc/54/45/97/571544597.db2.gz XRJCWOZFFOBJLM-RIFKOAFWSA-N 0 0 673.744 5.092 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000164193759 571544766 /nfs/dbraw/zinc/54/47/66/571544766.db2.gz MUVFJRXYVQSLBT-RQUBKTSFSA-N 0 0 754.865 7.629 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224444690 571547569 /nfs/dbraw/zinc/54/75/69/571547569.db2.gz PWMPPJPLCIJAAM-NRFANRHFSA-N 0 0 538.428 5.155 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164509626 571548897 /nfs/dbraw/zinc/54/88/97/571548897.db2.gz GYQQYDOAZUHOHG-LLXISZFLSA-N 0 0 696.579 6.185 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164524190 571549267 /nfs/dbraw/zinc/54/92/67/571549267.db2.gz TXJOXFVXEZIWGC-KUSDHMTMSA-N 0 0 869.475 6.632 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224454882 571549864 /nfs/dbraw/zinc/54/98/64/571549864.db2.gz VSDBLOYWNLVNGL-SANMLTNESA-N 0 0 651.569 5.357 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224458881 571550589 /nfs/dbraw/zinc/55/05/89/571550589.db2.gz QBHAKXDJPUAZOA-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224460442 571551036 /nfs/dbraw/zinc/55/10/36/571551036.db2.gz XPJWDRZUNBDDKJ-SANMLTNESA-N 0 0 598.563 6.145 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224464626 571552031 /nfs/dbraw/zinc/55/20/31/571552031.db2.gz WNFBJNCVKNPDJD-WJOKGBTCSA-N 0 0 707.647 6.107 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164918253 571552233 /nfs/dbraw/zinc/55/22/33/571552233.db2.gz OTIJVOCYAMHFEY-SOJUGJLBSA-N 0 0 747.440 7.470 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224474492 571554512 /nfs/dbraw/zinc/55/45/12/571554512.db2.gz UPTWFIPZEVIZKF-YTTGMZPUSA-N 0 0 786.145 7.078 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223818734 571554902 /nfs/dbraw/zinc/55/49/02/571554902.db2.gz WBMSSMKFRKZIRC-JOCHJYFZSA-N 0 0 526.486 5.859 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224485186 571557146 /nfs/dbraw/zinc/55/71/46/571557146.db2.gz RZWLSXKFSJUDTO-VWLOTQADSA-N 0 0 598.494 5.300 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223827111 571557522 /nfs/dbraw/zinc/55/75/22/571557522.db2.gz ZFUAWEGVSBYROJ-LYZGTLIUSA-N 0 0 649.597 5.531 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224489745 571558538 /nfs/dbraw/zinc/55/85/38/571558538.db2.gz DQACUDNJKFTCNT-RUZDIDTESA-N 0 0 574.461 5.455 40 5 KKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223837208 571559181 /nfs/dbraw/zinc/55/91/81/571559181.db2.gz QJHQGXXDTXDTCN-UIOOFZCWSA-N 0 0 516.579 5.834 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224497641 571560634 /nfs/dbraw/zinc/56/06/34/571560634.db2.gz YPUUFGUJFUODDP-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224505693 571562500 /nfs/dbraw/zinc/56/25/00/571562500.db2.gz LKCHEYGNYCLVGV-YTTGMZPUSA-N 0 0 786.145 7.078 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223857245 571562721 /nfs/dbraw/zinc/56/27/21/571562721.db2.gz GYSZYGSCGBXMPJ-SIBVEZHUSA-N 0 0 542.463 5.999 40 5 KKBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223857474 571562736 /nfs/dbraw/zinc/56/27/36/571562736.db2.gz ULNRPUIKHGWZKA-GOSISDBHSA-N 0 0 671.987 5.621 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224509859 571563403 /nfs/dbraw/zinc/56/34/03/571563403.db2.gz SNWQPYFLDFOIPX-XZOQPEGZSA-N 0 0 521.396 6.189 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000197764101 571564523 /nfs/dbraw/zinc/56/45/23/571564523.db2.gz YEJCNYBXIVNJRE-QFIPXVFZSA-N 0 0 634.571 6.494 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224523289 571566057 /nfs/dbraw/zinc/56/60/57/571566057.db2.gz SVURTZOPDXDSLM-AREMUKBSSA-N 0 0 588.557 6.690 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198314353 571567462 /nfs/dbraw/zinc/56/74/62/571567462.db2.gz NIDYPNUPZRYGHA-UHFFFAOYSA-N 0 0 676.729 5.400 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224537517 571569384 /nfs/dbraw/zinc/56/93/84/571569384.db2.gz IMWNSIUFOSRSTI-VWLOTQADSA-N 0 0 528.436 5.610 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224542126 571570433 /nfs/dbraw/zinc/57/04/33/571570433.db2.gz CMQMJUOEKNKHOM-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205757007 571570753 /nfs/dbraw/zinc/57/07/53/571570753.db2.gz QDNZPLLVXJWQLX-QGMBQPNBSA-N 0 0 589.342 6.156 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(I)cc1 ZINC000205760766 571570782 /nfs/dbraw/zinc/57/07/82/571570782.db2.gz GHGNJMFRELPPJM-VXLYETTFSA-N 0 0 566.760 6.349 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)o1 ZINC000205768846 571570921 /nfs/dbraw/zinc/57/09/21/571570921.db2.gz QJMSOCWJPDQSSZ-RGVLZGJSSA-N 0 0 562.341 5.705 40 5 KKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224549165 571572065 /nfs/dbraw/zinc/57/20/65/571572065.db2.gz PWNCRLIAJMWJOF-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208360641 571574036 /nfs/dbraw/zinc/57/40/36/571574036.db2.gz NKUCWEOLTJURCA-YLKQWKBVSA-N 0 0 609.660 5.437 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208360774 571574038 /nfs/dbraw/zinc/57/40/38/571574038.db2.gz IPJCPBKYMNNWHX-CCLVUABDSA-N 0 0 625.659 5.137 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224558945 571574286 /nfs/dbraw/zinc/57/42/86/571574286.db2.gz NJSSHKSSEZPMEZ-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223918818 571575355 /nfs/dbraw/zinc/57/53/55/571575355.db2.gz KPCGVHHUNHNVOF-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=Cc1cc(Br)ccc1F)NC(=O)c1ccccc1 ZINC000211437556 571576286 /nfs/dbraw/zinc/57/62/86/571576286.db2.gz ZJMFBGQZPLVKJD-MSHBYRINSA-N 0 0 689.519 6.330 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000214122133 571577743 /nfs/dbraw/zinc/57/77/43/571577743.db2.gz MJLBVNWXGLIMBF-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214175260 571577912 /nfs/dbraw/zinc/57/79/12/571577912.db2.gz PJEZSZODFUMINK-FSJBWODESA-N 0 0 578.952 7.695 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214147777 571577916 /nfs/dbraw/zinc/57/79/16/571577916.db2.gz ATBRNSDXESOCKX-FSJBWODESA-N 0 0 555.406 6.181 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214255455 571578215 /nfs/dbraw/zinc/57/82/15/571578215.db2.gz LCXTVSHQWHBILH-YDZHTSKRSA-N 0 0 634.423 6.553 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223934179 571578420 /nfs/dbraw/zinc/57/84/20/571578420.db2.gz FJAUAGKUKCYHCP-CAQRMWTPSA-N 0 0 776.139 7.622 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCOCC1 ZINC000214293823 571578470 /nfs/dbraw/zinc/57/84/70/571578470.db2.gz ORZYQIRYSFHWLI-VXLYETTFSA-N 0 0 616.368 5.064 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214346413 571578604 /nfs/dbraw/zinc/57/86/04/571578604.db2.gz PUSXDIVWFQSRLA-YDZHTSKRSA-N 0 0 634.423 6.553 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223935991 571578724 /nfs/dbraw/zinc/57/87/24/571578724.db2.gz OJPWCFJSOLSINI-NFQMXDRXSA-N 0 0 665.596 5.231 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F ZINC000214358197 571578764 /nfs/dbraw/zinc/57/87/64/571578764.db2.gz QVKMZGJEIMKEGD-UFFVCSGVSA-N 0 0 597.340 7.544 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214772008 571580813 /nfs/dbraw/zinc/58/08/13/571580813.db2.gz QDVACZGRHMIJBL-UFFVCSGVSA-N 0 0 569.344 7.949 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214772949 571580841 /nfs/dbraw/zinc/58/08/41/571580841.db2.gz BIIMXWOZBOIHAB-FSJBWODESA-N 0 0 638.323 7.878 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214778922 571580940 /nfs/dbraw/zinc/58/09/40/571580940.db2.gz PKPNGCZJSGDIGK-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214944784 571582044 /nfs/dbraw/zinc/58/20/44/571582044.db2.gz DGTXJHMVUQDYAP-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000214980294 571582195 /nfs/dbraw/zinc/58/21/95/571582195.db2.gz FSSKDWNZUGTAIZ-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214966905 571582230 /nfs/dbraw/zinc/58/22/30/571582230.db2.gz MDXBXPQGFHOKSZ-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000214991488 571582441 /nfs/dbraw/zinc/58/24/41/571582441.db2.gz HQUOYVDWWIEDNG-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215010997 571582494 /nfs/dbraw/zinc/58/24/94/571582494.db2.gz SQQGJZWBYSBTPG-SSDVNMTOSA-N 0 0 575.477 6.559 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc2ccccc21 ZINC000215018482 571582544 /nfs/dbraw/zinc/58/25/44/571582544.db2.gz HANDSSLAJBRHGY-JVWAILMASA-N 0 0 526.570 6.572 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223953626 571582843 /nfs/dbraw/zinc/58/28/43/571582843.db2.gz KJSYQTLINWXVHX-WUFINQPMSA-N 0 0 557.632 5.272 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215065159 571582889 /nfs/dbraw/zinc/58/28/89/571582889.db2.gz DZWXBUHKVYLSAM-FSJBWODESA-N 0 0 600.403 6.693 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215117788 571583087 /nfs/dbraw/zinc/58/30/87/571583087.db2.gz SGNCSBJHAUFDDV-FOKLQQMPSA-N 0 0 621.868 7.364 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215106619 571583148 /nfs/dbraw/zinc/58/31/48/571583148.db2.gz YNOAVKSZFUFFGP-FOKLQQMPSA-N 0 0 668.868 7.206 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl ZINC000215120766 571583293 /nfs/dbraw/zinc/58/32/93/571583293.db2.gz YYWRKUKHINNIEP-ZVBGSRNCSA-N 0 0 631.785 8.197 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215163301 571583429 /nfs/dbraw/zinc/58/34/29/571583429.db2.gz GDQHXNLDUHISNJ-ODCIPOBUSA-N 0 0 631.785 8.197 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000223957197 571583536 /nfs/dbraw/zinc/58/35/36/571583536.db2.gz XDSAIFGEHYZVHK-KAYWLYCHSA-N 0 0 527.606 5.264 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215232807 571584069 /nfs/dbraw/zinc/58/40/69/571584069.db2.gz JDYJMNFWUXAIIK-PGGKNCGUSA-N 0 0 647.887 6.954 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 ZINC000224647572 571594321 /nfs/dbraw/zinc/59/43/21/571594321.db2.gz PRPJKKLHSRCPSE-FQLXRVMXSA-N 0 0 533.613 6.750 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224653507 571596314 /nfs/dbraw/zinc/59/63/14/571596314.db2.gz ZBRCTXJOOASUEQ-XZWHSSHBSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224654470 571596350 /nfs/dbraw/zinc/59/63/50/571596350.db2.gz SXQZLBSNQGJOON-QFIPXVFZSA-N 0 0 643.162 5.237 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 ZINC000224656851 571597016 /nfs/dbraw/zinc/59/70/16/571597016.db2.gz NRHJATBRHNGDEU-WDYNHAJCSA-N 0 0 534.597 7.219 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224032084 571598598 /nfs/dbraw/zinc/59/85/98/571598598.db2.gz IPFXSNLYQQSKLD-NRFANRHFSA-N 0 0 631.151 5.093 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224033200 571598924 /nfs/dbraw/zinc/59/89/24/571598924.db2.gz LOMFAHMBGCAYQA-LOSJGSFVSA-N 0 0 516.535 5.164 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224068761 571605880 /nfs/dbraw/zinc/60/58/80/571605880.db2.gz FUCOIVOMQQCBIY-UIOOFZCWSA-N 0 0 551.024 6.106 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224074493 571606735 /nfs/dbraw/zinc/60/67/35/571606735.db2.gz FQCNKTIFPILDPQ-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224705178 571607000 /nfs/dbraw/zinc/60/70/00/571607000.db2.gz QQJNSAMAHIURNL-QGZVFWFLSA-N 0 0 534.476 5.067 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224715832 571609139 /nfs/dbraw/zinc/60/91/39/571609139.db2.gz VNHVRDXYGNEIPF-QFIPXVFZSA-N 0 0 687.613 5.346 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000224104131 571610485 /nfs/dbraw/zinc/61/04/85/571610485.db2.gz XLCQEZOPSWDZDL-SXOMAYOGSA-N 0 0 540.649 5.861 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 ZINC000224721911 571610570 /nfs/dbraw/zinc/61/05/70/571610570.db2.gz OBMMEXLQXAYJPH-CONSDPRKSA-N 0 0 578.650 7.536 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000224114986 571611661 /nfs/dbraw/zinc/61/16/61/571611661.db2.gz VBQZZIZEOUEGKE-RRPNLBNLSA-N 0 0 541.633 6.330 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000224115034 571611710 /nfs/dbraw/zinc/61/17/10/571611710.db2.gz VBQZZIZEOUEGKE-KAYWLYCHSA-N 0 0 541.633 6.330 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224748145 571613510 /nfs/dbraw/zinc/61/35/10/571613510.db2.gz ACMRXLTVFGZHJV-NRFANRHFSA-N 0 0 722.058 5.999 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224750094 571613711 /nfs/dbraw/zinc/61/37/11/571613711.db2.gz SXMLNXLPFAWDGH-KYJUHHDHSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224752779 571613973 /nfs/dbraw/zinc/61/39/73/571613973.db2.gz UOYBPFYHNDGFDD-LOYHVIPDSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224759498 571614511 /nfs/dbraw/zinc/61/45/11/571614511.db2.gz LUKMPIOVCYZLGW-XZWHSSHBSA-N 0 0 564.623 7.228 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccn3)cc2)cc1 ZINC000224762041 571614766 /nfs/dbraw/zinc/61/47/66/571614766.db2.gz DUNPMUXHQHLDCS-WUFINQPMSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I ZINC000224763054 571614867 /nfs/dbraw/zinc/61/48/67/571614867.db2.gz XUNQGYMLSWNCEA-LOSJGSFVSA-N 0 0 627.533 6.868 40 5 KKBBRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000224764425 571615026 /nfs/dbraw/zinc/61/50/26/571615026.db2.gz VXFCENXBXMFEDA-VMPREFPWSA-N 0 0 564.696 6.812 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 ZINC000224764679 571615055 /nfs/dbraw/zinc/61/50/55/571615055.db2.gz KVXAXIWMIFBTMO-VMPREFPWSA-N 0 0 606.758 7.719 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224765084 571615058 /nfs/dbraw/zinc/61/50/58/571615058.db2.gz YHELDBCHFXKXDB-NDEPHWFRSA-N 0 0 531.678 5.527 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 ZINC000224765847 571615097 /nfs/dbraw/zinc/61/50/97/571615097.db2.gz OFROSRORVPGRAW-SVBPBHIXSA-N 0 0 568.688 5.639 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224765119 571615113 /nfs/dbraw/zinc/61/51/13/571615113.db2.gz TYFBSPOXDYIXFO-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000224766417 571615122 /nfs/dbraw/zinc/61/51/22/571615122.db2.gz BLVWHXFJNVJPJI-FQLXRVMXSA-N 0 0 602.116 7.901 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000224766973 571615208 /nfs/dbraw/zinc/61/52/08/571615208.db2.gz YDKPICZPMPSSNZ-URLMMPGGSA-N 0 0 618.571 8.416 40 5 KKBBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 ZINC000224767854 571615262 /nfs/dbraw/zinc/61/52/62/571615262.db2.gz GVPSKWCRTABNGG-FQLXRVMXSA-N 0 0 564.696 6.812 40 5 KKBBRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224769255 571615393 /nfs/dbraw/zinc/61/53/93/571615393.db2.gz BOQWSGHSVDRWTE-LOYHVIPDSA-N 0 0 596.759 8.371 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224780383 571616347 /nfs/dbraw/zinc/61/63/47/571616347.db2.gz JAKKZUKGOVPKGE-XIFFEERXSA-N 0 0 707.249 6.234 40 5 KKBBRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780217 571616386 /nfs/dbraw/zinc/61/63/86/571616386.db2.gz LZFXIOMGQZFGMV-FTJBHMTQSA-N 0 0 515.664 6.701 40 5 KKBBRN CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781235 571616448 /nfs/dbraw/zinc/61/64/48/571616448.db2.gz XVESCZRPHVNMAD-JSOSNVBQSA-N 0 0 592.750 7.175 40 5 KKBBRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224783353 571616667 /nfs/dbraw/zinc/61/66/67/571616667.db2.gz WPWCFXKSKJSNSR-CONSDPRKSA-N 0 0 593.734 7.508 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224783822 571616720 /nfs/dbraw/zinc/61/67/20/571616720.db2.gz GJOILVNRCHFORT-VMPREFPWSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224784104 571616779 /nfs/dbraw/zinc/61/67/79/571616779.db2.gz BGJACDMPWHVNQJ-URLMMPGGSA-N 0 0 594.678 7.017 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000224784209 571616794 /nfs/dbraw/zinc/61/67/94/571616794.db2.gz LFCLGRZZYKMLPQ-FIRIVFDPSA-N 0 0 577.735 7.726 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 ZINC000224784877 571616855 /nfs/dbraw/zinc/61/68/55/571616855.db2.gz HWNPSDSKDWVIFU-SAIUNTKASA-N 0 0 599.741 8.262 40 5 KKBBRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224786648 571617093 /nfs/dbraw/zinc/61/70/93/571617093.db2.gz NMQDWUMLNXEQOK-FIRIVFDPSA-N 0 0 594.718 7.977 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 ZINC000224787608 571617168 /nfs/dbraw/zinc/61/71/68/571617168.db2.gz DWXGDFGCVKLTFJ-VMPREFPWSA-N 0 0 619.555 8.885 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(C4CCCC4)c3)cc2)cc1 ZINC000224790379 571617377 /nfs/dbraw/zinc/61/73/77/571617377.db2.gz ZURKORDWSWBHID-NSOVKSMOSA-N 0 0 541.702 7.235 40 5 KKBBRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224792637 571617594 /nfs/dbraw/zinc/61/75/94/571617594.db2.gz MDBIVBULWNUQRJ-XZWHSSHBSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224792878 571617603 /nfs/dbraw/zinc/61/76/03/571617603.db2.gz VXIYMZPVPUPUGL-KYJUHHDHSA-N 0 0 607.717 6.895 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224825818 571620793 /nfs/dbraw/zinc/62/07/93/571620793.db2.gz MVFCBJQRTVRDOG-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224894807 571627628 /nfs/dbraw/zinc/62/76/28/571627628.db2.gz ORWIRTPQSYTACE-NDEPHWFRSA-N 0 0 566.123 6.180 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224895075 571627640 /nfs/dbraw/zinc/62/76/40/571627640.db2.gz IXTBITCMDJFRMP-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224921485 571630080 /nfs/dbraw/zinc/63/00/80/571630080.db2.gz MBCIMUUGFRBRFH-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000224940533 571632164 /nfs/dbraw/zinc/63/21/64/571632164.db2.gz 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/nfs/dbraw/zinc/06/91/80/572069180.db2.gz DZZSRWCMKFAZTC-UHFFFAOYSA-N 0 0 510.380 5.127 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261125017 572101929 /nfs/dbraw/zinc/10/19/29/572101929.db2.gz ZSHZVZGYRJSWPD-GOXGLGGOSA-N 0 0 707.647 6.107 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 ZINC000226412302 572137632 /nfs/dbraw/zinc/13/76/32/572137632.db2.gz IBBQLBXXABFNKA-UBZHHNTMSA-N 0 0 558.974 6.099 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]21 ZINC000226411581 572137648 /nfs/dbraw/zinc/13/76/48/572137648.db2.gz ZRHIGDZIDKQKSO-UBQPIHBDSA-N 0 0 524.529 5.446 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408526731 572158452 /nfs/dbraw/zinc/15/84/52/572158452.db2.gz ASTNCVSRQVLRBN-UMSFTDKQSA-N 0 0 618.715 7.378 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000408526894 572158987 /nfs/dbraw/zinc/15/89/87/572158987.db2.gz CBCYXIRHQOJQKQ-UUWRZZSWSA-N 0 0 634.714 7.078 40 5 KKBBRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000229934809 572171269 /nfs/dbraw/zinc/17/12/69/572171269.db2.gz TYZTVRJMCYQKFN-VFELNUOSSA-N 0 0 546.454 7.984 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408530972 572173912 /nfs/dbraw/zinc/17/39/12/572173912.db2.gz SYSYXQPBGAYWOH-UUWRZZSWSA-N 0 0 634.714 7.078 40 5 KKBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000408532993 572181603 /nfs/dbraw/zinc/18/16/03/572181603.db2.gz PAWKUTOKIPHQCN-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544142 572214829 /nfs/dbraw/zinc/21/48/29/572214829.db2.gz UZGSEAYXKRKHPQ-VEILYXNESA-N 0 0 587.654 6.045 40 5 KKBBRN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000245242057 572216702 /nfs/dbraw/zinc/21/67/02/572216702.db2.gz YDFNPRCPBPZTAW-DXXZMKCOSA-N 0 0 573.574 5.041 40 5 KKBBRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408545605 572219634 /nfs/dbraw/zinc/21/96/34/572219634.db2.gz XOKMJTZSWMOPQI-UHFFFAOYSA-N 0 0 501.351 5.332 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408554797 572242314 /nfs/dbraw/zinc/24/23/14/572242314.db2.gz DICGHDVNBRPDSG-UHFFFAOYSA-N 0 0 500.349 5.304 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000408556730 572244301 /nfs/dbraw/zinc/24/43/01/572244301.db2.gz LGYHOFQBKUXASR-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN Cc1cccc(NC(=O)COc2c(Br)cc(CNc3cccc([N+](=O)[O-])c3)cc2Br)c1 ZINC000408557782 572245177 /nfs/dbraw/zinc/24/51/77/572245177.db2.gz OTSSHRPIRNBMPP-UHFFFAOYSA-N 0 0 549.219 6.058 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408558823 572246030 /nfs/dbraw/zinc/24/60/30/572246030.db2.gz WFXFLCXVXQTFLE-UHFFFAOYSA-N 0 0 556.638 6.973 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1 ZINC000408559224 572246516 /nfs/dbraw/zinc/24/65/16/572246516.db2.gz YHRNXDSOWSWEMS-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408559893 572246987 /nfs/dbraw/zinc/24/69/87/572246987.db2.gz WZEXPIDSPGPIHS-UHFFFAOYSA-N 0 0 648.635 7.327 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408559930 572247244 /nfs/dbraw/zinc/24/72/44/572247244.db2.gz XDZPTCHBLCNPDQ-QFIPXVFZSA-N 0 0 603.800 7.609 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563198 572249077 /nfs/dbraw/zinc/24/90/77/572249077.db2.gz AAUKIXHAHKGDMC-UYDITSSVSA-N 0 0 542.419 5.493 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563858 572249874 /nfs/dbraw/zinc/24/98/74/572249874.db2.gz BFDUCDPNERUGEN-SIJZCSJPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564798 572251018 /nfs/dbraw/zinc/25/10/18/572251018.db2.gz AHJDPKIOMTYRDL-RUZDIDTESA-N 0 0 617.953 7.306 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564799 572251026 /nfs/dbraw/zinc/25/10/26/572251026.db2.gz AHJDPKIOMTYRDL-VWLOTQADSA-N 0 0 617.953 7.306 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408564808 572251041 /nfs/dbraw/zinc/25/10/41/572251041.db2.gz AJHQWZQSTJMMTN-VWLOTQADSA-N 0 0 583.508 6.653 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(C)cc1 ZINC000408564876 572251253 /nfs/dbraw/zinc/25/12/53/572251253.db2.gz AQGAFEAJLSYIHB-DEOSSOPVSA-N 0 0 505.556 5.481 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565176 572251907 /nfs/dbraw/zinc/25/19/07/572251907.db2.gz INJIZEBSMJNLEB-OCAOGGMISA-N 0 0 596.453 5.620 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565264 572252034 /nfs/dbraw/zinc/25/20/34/572252034.db2.gz BLUIUWHMXYVFOM-HSZRJFAPSA-N 0 0 516.957 6.196 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408565215 572252065 /nfs/dbraw/zinc/25/20/65/572252065.db2.gz BHUYRFMBRYDVNX-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565293 572252430 /nfs/dbraw/zinc/25/24/30/572252430.db2.gz BPYSBDIICKJOTH-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565282 572252479 /nfs/dbraw/zinc/25/24/79/572252479.db2.gz BNGSJMYZOVEIFD-QHCPKHFHSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408565479 572252550 /nfs/dbraw/zinc/25/25/50/572252550.db2.gz CAHIPJIRQNGBEI-MHZLTWQESA-N 0 0 597.535 7.043 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565400 572252608 /nfs/dbraw/zinc/25/26/08/572252608.db2.gz KHPWUVNCUSGBDS-TUPPOGIXSA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)c(Br)cc1OC ZINC000408565438 572252628 /nfs/dbraw/zinc/25/26/28/572252628.db2.gz BWIIZRGGJSOUEU-FQEVSTJZSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565610 572252935 /nfs/dbraw/zinc/25/29/35/572252935.db2.gz LNEGAFYGSOXHAB-TUDQOENJSA-N 0 0 566.452 5.257 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408565578 572252940 /nfs/dbraw/zinc/25/29/40/572252940.db2.gz CKOKPUKSLJDVCB-XMMPIXPASA-N 0 0 579.893 7.234 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565667 572253051 /nfs/dbraw/zinc/25/30/51/572253051.db2.gz LRFPMOMNMOKXBZ-SQOVJYTMSA-N 0 0 572.843 5.212 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565663 572253053 /nfs/dbraw/zinc/25/30/53/572253053.db2.gz LRFPMOMNMOKXBZ-FODJJAHYSA-N 0 0 572.843 5.212 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408565928 572253170 /nfs/dbraw/zinc/25/31/70/572253170.db2.gz DHDCPXGDHFKFFA-SANMLTNESA-N 0 0 676.431 7.805 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565925 572253181 /nfs/dbraw/zinc/25/31/81/572253181.db2.gz MFCXFKLFQIDFSI-LAMXGVLKSA-N 0 0 577.262 5.857 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565922 572253200 /nfs/dbraw/zinc/25/32/00/572253200.db2.gz MFCXFKLFQIDFSI-HGMMTPDKSA-N 0 0 577.262 5.857 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000408565760 572253211 /nfs/dbraw/zinc/25/32/11/572253211.db2.gz DBCRONRPBOSPOX-AREMUKBSSA-N 0 0 539.057 6.544 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408566037 572253356 /nfs/dbraw/zinc/25/33/56/572253356.db2.gz DPKJBFJAKJZMGL-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408566090 572253490 /nfs/dbraw/zinc/25/34/90/572253490.db2.gz DVQQESWHKLCOSH-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566306 572253617 /nfs/dbraw/zinc/25/36/17/572253617.db2.gz NLKAPGKJLVSADI-KLPDMWAPSA-N 0 0 647.353 6.788 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000408566300 572253646 /nfs/dbraw/zinc/25/36/46/572253646.db2.gz FGNAMEPYCZGFQE-HHHXNRCGSA-N 0 0 613.534 6.825 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408566576 572253670 /nfs/dbraw/zinc/25/36/70/572253670.db2.gz FQAJGISVJGTOBW-RUZDIDTESA-N 0 0 573.046 6.465 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566456 572253771 /nfs/dbraw/zinc/25/37/71/572253771.db2.gz OHLYPPZXWRYHCY-BQGAEBSMSA-N 0 0 582.426 5.230 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 ZINC000408566680 572253835 /nfs/dbraw/zinc/25/38/35/572253835.db2.gz FYYVGCKHCKKLGJ-VWLOTQADSA-N 0 0 526.565 5.942 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566726 572253844 /nfs/dbraw/zinc/25/38/44/572253844.db2.gz OONRZHYQZMFTJQ-BBFXTFFKSA-N 0 0 582.426 5.230 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccccc1 ZINC000408566747 572253876 /nfs/dbraw/zinc/25/38/76/572253876.db2.gz GAPZUAPPBALQAI-QHCPKHFHSA-N 0 0 525.428 6.027 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408566796 572254059 /nfs/dbraw/zinc/25/40/59/572254059.db2.gz OTSAWQZRBMEOAX-CWWSAELMSA-N 0 0 542.394 5.766 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566791 572254080 /nfs/dbraw/zinc/25/40/80/572254080.db2.gz GDLWEXOVKWTWOJ-VWLOTQADSA-N 0 0 573.046 6.465 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408567825 572254564 /nfs/dbraw/zinc/25/45/64/572254564.db2.gz RNTMZVKLRXEXAA-ZVFGGPEJSA-N 0 0 596.453 5.620 40 5 KKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567806 572254575 /nfs/dbraw/zinc/25/45/75/572254575.db2.gz HLMFBTBSVYEVCT-LJQANCHMSA-N 0 0 520.210 7.225 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000408567803 572254589 /nfs/dbraw/zinc/25/45/89/572254589.db2.gz HLKAMWSXPAWLTN-SANMLTNESA-N 0 0 692.430 7.587 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408568146 572254727 /nfs/dbraw/zinc/25/47/27/572254727.db2.gz HTPWPIBYROTURG-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408568084 572254745 /nfs/dbraw/zinc/25/47/45/572254745.db2.gz HPCYUNOODCMNJZ-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568226 572254803 /nfs/dbraw/zinc/25/48/03/572254803.db2.gz SMPCYRLBHZXDKQ-UQBYDPJISA-N 0 0 552.400 5.222 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408568238 572254826 /nfs/dbraw/zinc/25/48/26/572254826.db2.gz HZFUFUDMDJMHGI-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568356 572254893 /nfs/dbraw/zinc/25/48/93/572254893.db2.gz TYULBJYLDBUPFK-UQBYDPJISA-N 0 0 524.404 5.627 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408568649 572255175 /nfs/dbraw/zinc/25/51/75/572255175.db2.gz IDUUYHNRCHFCFE-AREMUKBSSA-N 0 0 631.980 7.696 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000408568739 572255176 /nfs/dbraw/zinc/25/51/76/572255176.db2.gz IMCRADCEJLEHPR-VWLOTQADSA-N 0 0 601.498 6.792 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408568722 572255192 /nfs/dbraw/zinc/25/51/92/572255192.db2.gz ILFQQARGFDTTDN-SANMLTNESA-N 0 0 666.425 8.350 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568961 572255340 /nfs/dbraw/zinc/25/53/40/572255340.db2.gz VKMXIAPQIYKJEE-BQGAEBSMSA-N 0 0 643.332 5.854 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408569065 572255423 /nfs/dbraw/zinc/25/54/23/572255423.db2.gz IOKBGIKRZNHVNU-HSZRJFAPSA-N 0 0 590.445 6.488 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408569088 572255428 /nfs/dbraw/zinc/25/54/28/572255428.db2.gz ITKWMABFBFRJFT-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408569493 572255711 /nfs/dbraw/zinc/25/57/11/572255711.db2.gz JHUHYCKTELCKHB-RUZDIDTESA-N 0 0 557.047 6.683 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@H]1CCCN12 ZINC000408569648 572255870 /nfs/dbraw/zinc/25/58/70/572255870.db2.gz WUSXEOSFZLJTND-YUHKXCSQSA-N 0 0 603.300 6.389 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000408569903 572256050 /nfs/dbraw/zinc/25/60/50/572256050.db2.gz KFGCOGSPBXERHY-QHCPKHFHSA-N 0 0 555.454 6.036 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569706 572256079 /nfs/dbraw/zinc/25/60/79/572256079.db2.gz XCPBFVVEUNZNFH-LAMXGVLKSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570042 572256158 /nfs/dbraw/zinc/25/61/58/572256158.db2.gz YFJGEKLSQGOTNF-CNBSGPCYSA-N 0 0 572.843 5.212 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000408569946 572256219 /nfs/dbraw/zinc/25/62/19/572256219.db2.gz KIFXWHWHOVTQNQ-QHCPKHFHSA-N 0 0 604.870 6.589 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 ZINC000408570113 572256329 /nfs/dbraw/zinc/25/63/29/572256329.db2.gz ZDRAXMIFDRZPFH-TUPPOGIXSA-N 0 0 507.949 5.113 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570112 572256358 /nfs/dbraw/zinc/25/63/58/572256358.db2.gz ZDRAXMIFDRZPFH-AWTIUKJOSA-N 0 0 507.949 5.113 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(C)cc1 ZINC000408570310 572256378 /nfs/dbraw/zinc/25/63/78/572256378.db2.gz KWUBDHATJUEBCB-MUUNZHRXSA-N 0 0 510.619 6.726 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408570655 572256506 /nfs/dbraw/zinc/25/65/06/572256506.db2.gz LSUAWNKWPKGBSY-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408570634 572256520 /nfs/dbraw/zinc/25/65/20/572256520.db2.gz LQPQVGBATGHDJX-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408570903 572256598 /nfs/dbraw/zinc/25/65/98/572256598.db2.gz MGOYSLSFHYYKCO-RUZDIDTESA-N 0 0 603.926 7.079 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F ZINC000408570867 572256601 /nfs/dbraw/zinc/25/66/01/572256601.db2.gz MBYJRQQUACWJNS-DEOSSOPVSA-N 0 0 621.916 7.219 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408570877 572256605 /nfs/dbraw/zinc/25/66/05/572256605.db2.gz MDVGLDUGXVNKQG-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000408570956 572256721 /nfs/dbraw/zinc/25/67/21/572256721.db2.gz MMCXJPLYEMFDDU-HSZRJFAPSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000408571011 572256734 /nfs/dbraw/zinc/25/67/34/572256734.db2.gz MSSPYMVDIJLEJG-SANMLTNESA-N 0 0 647.979 7.478 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408571035 572256745 /nfs/dbraw/zinc/25/67/45/572256745.db2.gz MZFOGJNFAKLYRU-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571084 572256843 /nfs/dbraw/zinc/25/68/43/572256843.db2.gz NKTIBBMOKZJNFK-VWLOTQADSA-N 0 0 559.475 6.889 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408571108 572256853 /nfs/dbraw/zinc/25/68/53/572256853.db2.gz NPHDESVWJGCTNG-QHCPKHFHSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000408571394 572257050 /nfs/dbraw/zinc/25/70/50/572257050.db2.gz OPFXHGGCWMSOBB-SANMLTNESA-N 0 0 631.524 6.964 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 ZINC000408571400 572257053 /nfs/dbraw/zinc/25/70/53/572257053.db2.gz OPWPBQQFGMQPCR-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 ZINC000408571398 572257062 /nfs/dbraw/zinc/25/70/62/572257062.db2.gz OPWPBQQFGMQPCR-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408571374 572257068 /nfs/dbraw/zinc/25/70/68/572257068.db2.gz ONWMOYYEISESQZ-RUZDIDTESA-N 0 0 569.481 6.344 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccccc1 ZINC000408571577 572257138 /nfs/dbraw/zinc/25/71/38/572257138.db2.gz PCFLABRTMDYREU-HSZRJFAPSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408571507 572257203 /nfs/dbraw/zinc/25/72/03/572257203.db2.gz OTASJTAHNAXVAV-RUZDIDTESA-N 0 0 617.497 6.574 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571573 572257206 /nfs/dbraw/zinc/25/72/06/572257206.db2.gz PBQVKOILCKTRAA-VWLOTQADSA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408571595 572257212 /nfs/dbraw/zinc/25/72/12/572257212.db2.gz PETJMRCWUIOFBX-VWLOTQADSA-N 0 0 573.502 7.279 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571878 572257352 /nfs/dbraw/zinc/25/73/52/572257352.db2.gz PSZDIFPGFNKDQE-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408571827 572257362 /nfs/dbraw/zinc/25/73/62/572257362.db2.gz PQGQFKDPSUGQBF-HSZRJFAPSA-N 0 0 628.763 7.988 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408571820 572257377 /nfs/dbraw/zinc/25/73/77/572257377.db2.gz PPBGMLFJGFNMRP-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408571905 572257460 /nfs/dbraw/zinc/25/74/60/572257460.db2.gz PUYKICQUMBMBAK-VWLOTQADSA-N 0 0 617.953 7.306 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572307 572257647 /nfs/dbraw/zinc/25/76/47/572257647.db2.gz QVPOLQZEJIFCSM-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408572395 572257789 /nfs/dbraw/zinc/25/77/89/572257789.db2.gz RAICCAWMZVKOKN-DEOSSOPVSA-N 0 0 648.377 7.107 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572472 572257880 /nfs/dbraw/zinc/25/78/80/572257880.db2.gz RFOCITYOXOXVJJ-XMMPIXPASA-N 0 0 561.466 7.328 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000408572490 572257947 /nfs/dbraw/zinc/25/79/47/572257947.db2.gz RHOWRWTZBQZUFX-VWLOTQADSA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408572719 572258000 /nfs/dbraw/zinc/25/80/00/572258000.db2.gz RWRPMYSGHQOPMQ-RUZDIDTESA-N 0 0 652.398 8.041 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408573107 572258651 /nfs/dbraw/zinc/25/86/51/572258651.db2.gz SMNQYTMSCDVZMR-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408573430 572258887 /nfs/dbraw/zinc/25/88/87/572258887.db2.gz SUHNINBTYDCHIS-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573515 572258925 /nfs/dbraw/zinc/25/89/25/572258925.db2.gz TTYBNAQNKKKONR-NDEPHWFRSA-N 0 0 619.541 7.498 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F ZINC000408573602 572258970 /nfs/dbraw/zinc/25/89/70/572258970.db2.gz TYBPIYBSJUGYGQ-SANMLTNESA-N 0 0 522.602 6.029 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408573616 572259030 /nfs/dbraw/zinc/25/90/30/572259030.db2.gz TYJUIWOAJWRPTD-HHHXNRCGSA-N 0 0 609.933 7.834 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000408573941 572259148 /nfs/dbraw/zinc/25/91/48/572259148.db2.gz UEPHMZNQUTVNIG-SANMLTNESA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408573976 572259279 /nfs/dbraw/zinc/25/92/79/572259279.db2.gz UIGURBDENOEBMH-AREMUKBSSA-N 0 0 597.535 7.043 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408574083 572259291 /nfs/dbraw/zinc/25/92/91/572259291.db2.gz UQPIQWWSVBQNPG-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408574035 572259293 /nfs/dbraw/zinc/25/92/93/572259293.db2.gz HOHTZBOWHIXWKD-UHFFFAOYSA-N 0 0 534.299 5.974 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408574455 572259575 /nfs/dbraw/zinc/25/95/75/572259575.db2.gz UVNDIAGINRPZMJ-LJAQVGFWSA-N 0 0 603.542 7.797 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408574551 572259764 /nfs/dbraw/zinc/25/97/64/572259764.db2.gz VEGNAKVQUOGZJP-XMMPIXPASA-N 0 0 672.816 8.386 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408574485 572259771 /nfs/dbraw/zinc/25/97/71/572259771.db2.gz UYCIREIEUFFYKO-QHCPKHFHSA-N 0 0 546.983 6.205 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408575028 572260048 /nfs/dbraw/zinc/26/00/48/572260048.db2.gz VNWQZCRNTINLAP-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575079 572260242 /nfs/dbraw/zinc/26/02/42/572260242.db2.gz VYKNFLVMEKZGKG-XMMPIXPASA-N 0 0 579.893 7.234 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408575286 572260423 /nfs/dbraw/zinc/26/04/23/572260423.db2.gz UBCPDLXBRADGIM-DHZHZOJOSA-N 0 0 583.066 5.230 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408575498 572260506 /nfs/dbraw/zinc/26/05/06/572260506.db2.gz WJTVLEURANGTPD-RUZDIDTESA-N 0 0 652.398 8.041 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1cccc(C)c1 ZINC000408575424 572260522 /nfs/dbraw/zinc/26/05/22/572260522.db2.gz WEYBCLGGULBRDX-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408575550 572260607 /nfs/dbraw/zinc/26/06/07/572260607.db2.gz WMUQTYZWYLGGIX-HSZRJFAPSA-N 0 0 543.964 5.966 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408575656 572260673 /nfs/dbraw/zinc/26/06/73/572260673.db2.gz WSZLGDIBEGNASM-HSZRJFAPSA-N 0 0 612.308 7.473 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc21 ZINC000408575830 572260764 /nfs/dbraw/zinc/26/07/64/572260764.db2.gz WXMHCXBYOZGWQH-MUUNZHRXSA-N 0 0 544.608 6.566 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408575962 572260916 /nfs/dbraw/zinc/26/09/16/572260916.db2.gz XCBGOZADPFPZEI-AREMUKBSSA-N 0 0 589.501 6.979 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408576507 572261243 /nfs/dbraw/zinc/26/12/43/572261243.db2.gz XNNYSQKNBAKPGS-HSZRJFAPSA-N 0 0 579.893 7.234 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000408576600 572261329 /nfs/dbraw/zinc/26/13/29/572261329.db2.gz XUMCDASCFMGROP-MUUNZHRXSA-N 0 0 561.063 7.080 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1cccc(C)c1 ZINC000408576550 572261360 /nfs/dbraw/zinc/26/13/60/572261360.db2.gz XRHYDJFCGWDWKA-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408576982 572261665 /nfs/dbraw/zinc/26/16/65/572261665.db2.gz YGALPUSFHJZGNX-SANMLTNESA-N 0 0 615.525 7.182 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCC)cc1 ZINC000408576984 572261678 /nfs/dbraw/zinc/26/16/78/572261678.db2.gz YGXCIPAAETZSCM-FQEVSTJZSA-N 0 0 507.410 5.246 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408577066 572261756 /nfs/dbraw/zinc/26/17/56/572261756.db2.gz YNJZLJNZYGZTGF-RUZDIDTESA-N 0 0 554.028 6.443 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408577153 572261765 /nfs/dbraw/zinc/26/17/65/572261765.db2.gz YPOYDZHWVNBALY-RUZDIDTESA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000408577369 572261848 /nfs/dbraw/zinc/26/18/48/572261848.db2.gz ZCIYLAMSSULOFS-QHCPKHFHSA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577762 572262299 /nfs/dbraw/zinc/26/22/99/572262299.db2.gz ZUFVFWHLFHQWNG-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408577771 572262351 /nfs/dbraw/zinc/26/23/51/572262351.db2.gz ZUKJZCNLALYZLB-HXUWFJFHSA-N 0 0 520.210 7.225 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408577789 572262430 /nfs/dbraw/zinc/26/24/30/572262430.db2.gz ZWQWDHRIRFIHQV-RUZDIDTESA-N 0 0 584.054 6.452 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000408581943 572264619 /nfs/dbraw/zinc/26/46/19/572264619.db2.gz JVDGQADIBCCRLG-UHFFFAOYSA-N 0 0 543.321 5.573 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000408588435 572266829 /nfs/dbraw/zinc/26/68/29/572266829.db2.gz WFZKHMXTXXYQKK-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000408604433 572273940 /nfs/dbraw/zinc/27/39/40/572273940.db2.gz JAHXANJIRLZXDG-FYWRMAATSA-N 0 0 529.574 6.669 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1F ZINC000408606446 572274812 /nfs/dbraw/zinc/27/48/12/572274812.db2.gz HXGXJVIOFURNCG-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408607302 572275073 /nfs/dbraw/zinc/27/50/73/572275073.db2.gz KSMZAOPRMXXISO-UHFFFAOYSA-N 0 0 589.264 6.539 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613598 572277351 /nfs/dbraw/zinc/27/73/51/572277351.db2.gz YQOLMEBWTZCZRM-UHFFFAOYSA-N 0 0 559.187 6.706 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408622412 572282049 /nfs/dbraw/zinc/28/20/49/572282049.db2.gz PFUXXAFWUHFRKG-TUUBTQOTSA-N 0 0 588.639 5.658 40 5 KKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCc1ccccc1 ZINC000408626178 572283824 /nfs/dbraw/zinc/28/38/24/572283824.db2.gz ZYEUUIBFBYIWMU-UHFFFAOYSA-N 0 0 532.334 5.738 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408635692 572292700 /nfs/dbraw/zinc/29/27/00/572292700.db2.gz HIJNZLCQFOIMGH-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408636606 572293548 /nfs/dbraw/zinc/29/35/48/572293548.db2.gz BAJBHIHUEOHCAI-QHCPKHFHSA-N 0 0 610.575 5.394 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408637576 572294462 /nfs/dbraw/zinc/29/44/62/572294462.db2.gz AKUKHMMFKQYJGF-LROUJFHJSA-N 0 0 604.015 5.129 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408637575 572294480 /nfs/dbraw/zinc/29/44/80/572294480.db2.gz AKUKHMMFKQYJGF-IHMJZKOGSA-N 0 0 604.015 5.129 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408637920 572294695 /nfs/dbraw/zinc/29/46/95/572294695.db2.gz NZDNDDFMUFUEQC-QHCPKHFHSA-N 0 0 536.540 5.833 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638312 572294950 /nfs/dbraw/zinc/29/49/50/572294950.db2.gz REJDSKPBAISPAR-MUUNZHRXSA-N 0 0 656.647 7.052 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638313 572295027 /nfs/dbraw/zinc/29/50/27/572295027.db2.gz REJDSKPBAISPAR-NDEPHWFRSA-N 0 0 656.647 7.052 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408638979 572295529 /nfs/dbraw/zinc/29/55/29/572295529.db2.gz DUXKXCQOPBAMNI-YKQNXRHISA-N 0 0 648.466 5.238 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639153 572295607 /nfs/dbraw/zinc/29/56/07/572295607.db2.gz VONASHDFZJKZMX-MHZLTWQESA-N 0 0 628.637 7.625 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408639340 572295777 /nfs/dbraw/zinc/29/57/77/572295777.db2.gz FPHGDYFNMMGBGY-CQLNOVPUSA-N 0 0 638.460 5.782 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408639564 572295876 /nfs/dbraw/zinc/29/58/76/572295876.db2.gz FYMXBUDRXOFIAL-UHFFFAOYSA-N 0 0 612.165 5.653 40 5 KKBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408639636 572295976 /nfs/dbraw/zinc/29/59/76/572295976.db2.gz GDABGDJBEYBEPQ-LBPRGKRZSA-N 0 0 546.750 5.480 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1Cl ZINC000408640223 572296374 /nfs/dbraw/zinc/29/63/74/572296374.db2.gz HQYNEAYTDKHMHS-UHFFFAOYSA-N 0 0 813.862 7.488 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640455 572296423 /nfs/dbraw/zinc/29/64/23/572296423.db2.gz HZQXAKABUAERSQ-ZRZAMGCNSA-N 0 0 624.433 5.536 40 5 KKBBRN COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408640810 572296728 /nfs/dbraw/zinc/29/67/28/572296728.db2.gz IVYURRMMVOCUEO-UHFFFAOYSA-N 0 0 597.194 5.753 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408642443 572297672 /nfs/dbraw/zinc/29/76/72/572297672.db2.gz DVWIFYULOBDHRX-NREPNLDQSA-N 0 0 573.989 5.478 40 5 KKBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000408642442 572297688 /nfs/dbraw/zinc/29/76/88/572297688.db2.gz DVWIFYULOBDHRX-KTERKQDUSA-N 0 0 573.989 5.478 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408642932 572298028 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C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408644644 572298805 /nfs/dbraw/zinc/29/88/05/572298805.db2.gz HDKCMSSGHBWARV-NREPNLDQSA-N 0 0 646.450 5.014 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408645676 572299307 /nfs/dbraw/zinc/29/93/07/572299307.db2.gz AIMXXGVCXYCVFE-HCOICLPRSA-N 0 0 608.478 5.696 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000408645656 572299365 /nfs/dbraw/zinc/29/93/65/572299365.db2.gz SPXLRZKFWPIGRF-UHFFFAOYSA-N 0 0 532.723 5.091 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408646265 572299759 /nfs/dbraw/zinc/29/97/59/572299759.db2.gz IMOACOJOBZEGFB-YASBFDIKSA-N 0 0 746.559 7.253 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 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ZINC000408901786 1070169387 /nfs/dbraw/zinc/16/93/87/1070169387.db2.gz CEUSJNVMMPVDBV-FMCGGJTJSA-N 0 0 552.406 5.105 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408916464 1070220144 /nfs/dbraw/zinc/22/01/44/1070220144.db2.gz CSYPOWBAGCFTQW-WSDLNYQXSA-N 0 0 571.970 5.650 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408929071 1070254870 /nfs/dbraw/zinc/25/48/70/1070254870.db2.gz GUNJYASKPMBNRH-LPYMAVHISA-N 0 0 508.328 5.029 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n32)cc1OCC ZINC000408933612 1070266293 /nfs/dbraw/zinc/26/62/93/1070266293.db2.gz BONPWLVIYATYIA-AJXYAIDJSA-N 0 0 665.724 5.456 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000408933607 1070266536 /nfs/dbraw/zinc/26/65/36/1070266536.db2.gz BOKCBZNIAHAKCI-IYVASWNSSA-N 0 0 652.523 5.435 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408937541 1070292047 /nfs/dbraw/zinc/29/20/47/1070292047.db2.gz GUBNGDBMIUXBTM-IYVASWNSSA-N 0 0 652.523 5.435 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408942585 1070303111 /nfs/dbraw/zinc/30/31/11/1070303111.db2.gz GGJIVLQSYNQPQJ-ACHQHTMYSA-N 0 0 755.647 6.531 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n21 ZINC000408947476 1070311371 /nfs/dbraw/zinc/31/13/71/1070311371.db2.gz QCXXJYILCRBXRV-NFYDWNOTSA-N 0 0 717.392 5.889 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n21 ZINC000408950657 1070308714 /nfs/dbraw/zinc/30/87/14/1070308714.db2.gz UBVSYEUNJWIKDA-QUNTYYFUSA-N 0 0 678.561 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408974794 1070336098 /nfs/dbraw/zinc/33/60/98/1070336098.db2.gz DXWLJNQMYSGSIJ-USDTVRPUSA-N 0 0 678.561 5.447 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408981770 1070339541 /nfs/dbraw/zinc/33/95/41/1070339541.db2.gz BQYREWQQGSSPDU-OBDCIHEFSA-N 0 0 708.587 5.455 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc2c3c(cccc31)CC2 ZINC000408984934 1070345171 /nfs/dbraw/zinc/34/51/71/1070345171.db2.gz NJTKUBRPEHKPEY-UHFFFAOYSA-N 0 0 566.620 5.988 40 5 KKBBRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)ccc1C ZINC000408986709 1070349056 /nfs/dbraw/zinc/34/90/56/1070349056.db2.gz DBKTWOCZXGIOEI-AREMUKBSSA-N 0 0 512.591 6.283 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408988240 1070351697 /nfs/dbraw/zinc/35/16/97/1070351697.db2.gz RQNGOMKWJKGDHF-RLFCKUQXSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408992074 1070359657 /nfs/dbraw/zinc/35/96/57/1070359657.db2.gz ZLUJCYVISFLPNH-FQWZWQHVSA-N 0 0 646.508 6.411 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408996232 1070365034 /nfs/dbraw/zinc/36/50/34/1070365034.db2.gz LRPWCGFFFALVHE-NXYYLBPMSA-N 0 0 805.501 6.956 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408992706 1070367262 /nfs/dbraw/zinc/36/72/62/1070367262.db2.gz BDUJVBFOAZHCPY-JOHYPREOSA-N 0 0 819.699 6.758 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)OCc1ccccc1 ZINC000408997783 1070371945 /nfs/dbraw/zinc/37/19/45/1070371945.db2.gz HZZORUXXKZVIOZ-ULWXPFJOSA-N 0 0 553.659 6.539 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000409000042 1070375723 /nfs/dbraw/zinc/37/57/23/1070375723.db2.gz MGMXWISXZDAXKZ-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000693 1070376059 /nfs/dbraw/zinc/37/60/59/1070376059.db2.gz ZOEMBZOKWULMDN-QARYAGPDSA-N 0 0 622.497 5.346 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034053 1070425140 /nfs/dbraw/zinc/42/51/40/1070425140.db2.gz NARVICCOZXDKIG-PGUFECHJSA-N 0 0 892.519 5.603 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039397 1070430639 /nfs/dbraw/zinc/43/06/39/1070430639.db2.gz QWGLEABTJYOKOI-OCDQFKQQSA-N 0 0 708.189 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035896 1070435470 /nfs/dbraw/zinc/43/54/70/1070435470.db2.gz UPIODUJGARJRFT-JBDHCHCMSA-N 0 0 682.549 5.525 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000409043734 1070450312 /nfs/dbraw/zinc/45/03/12/1070450312.db2.gz ZIIZNEYNFRYNPR-UAMLYEQYSA-N 0 0 648.137 5.728 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409060314 1070472712 /nfs/dbraw/zinc/47/27/12/1070472712.db2.gz PRQHVSPLQQSPMS-ZDLGFXPLSA-N 0 0 507.362 5.390 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409085375 1070511771 /nfs/dbraw/zinc/51/17/71/1070511771.db2.gz ZGOYPLUZUPCHSP-NDENLUEZSA-N 0 0 577.375 5.012 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409086837 1070519991 /nfs/dbraw/zinc/51/99/91/1070519991.db2.gz HFJAGVGQBGHHAZ-RGVLZGJSSA-N 0 0 528.746 5.687 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000409087726 1070521156 /nfs/dbraw/zinc/52/11/56/1070521156.db2.gz ZLBLRMIGTAVLNZ-NULZLWRNSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409097048 1070530460 /nfs/dbraw/zinc/53/04/60/1070530460.db2.gz MDPURPQVEXBFRN-FQWZWQHVSA-N 0 0 730.622 5.556 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101654 1070534320 /nfs/dbraw/zinc/53/43/20/1070534320.db2.gz WYFZCAOIIJHTNW-KMBIYUNPSA-N 0 0 611.507 5.579 40 5 KKBBRN Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409111886 1070537887 /nfs/dbraw/zinc/53/78/87/1070537887.db2.gz DROHAIQUVFTLRK-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409116854 1070543368 /nfs/dbraw/zinc/54/33/68/1070543368.db2.gz NDMMJIMLLGUCRF-UHFFFAOYSA-N 0 0 584.264 8.103 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105572 1070539863 /nfs/dbraw/zinc/53/98/63/1070539863.db2.gz LETLEYCMGVQGAW-ADUBFANXSA-N 0 0 662.768 5.753 40 5 KKBBRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409106349 1070540425 /nfs/dbraw/zinc/54/04/25/1070540425.db2.gz LLKSMTZBNPSPSC-LSCVHKIXSA-N 0 0 549.299 6.456 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409118893 1070544972 /nfs/dbraw/zinc/54/49/72/1070544972.db2.gz QLIUVJMZDLRYCA-RGVLZGJSSA-N 0 0 575.746 5.529 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1Cl ZINC000409128181 1070555417 /nfs/dbraw/zinc/55/54/17/1070555417.db2.gz RSYGUJODTBOVCL-PGUFJCEWSA-N 0 0 633.104 7.627 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc(Cl)c1 ZINC000409151412 1070569307 /nfs/dbraw/zinc/56/93/07/1070569307.db2.gz BENXAAWYKHIYKD-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409153451 1070577710 /nfs/dbraw/zinc/57/77/10/1070577710.db2.gz IBSRNZGFCUQYII-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000409167827 1070585821 /nfs/dbraw/zinc/58/58/21/1070585821.db2.gz JYPLTIMTKRUGOR-RGVLZGJSSA-N 0 0 574.434 6.014 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409171430 1070587310 /nfs/dbraw/zinc/58/73/10/1070587310.db2.gz BFOSDORHAFTKGU-CIAFOILYSA-N 0 0 528.348 5.977 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409177363 1070592622 /nfs/dbraw/zinc/59/26/22/1070592622.db2.gz FJGGRIPOPTXBCG-DHRITJCHSA-N 0 0 615.586 7.096 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000409179116 1070594682 /nfs/dbraw/zinc/59/46/82/1070594682.db2.gz PVVFMTMGEKLSRF-UHFFFAOYSA-N 0 0 561.999 6.967 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000409181934 1070599631 /nfs/dbraw/zinc/59/96/31/1070599631.db2.gz GVMAAPFJUAYOPG-UHFFFAOYSA-N 0 0 512.449 5.684 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180924 1070597796 /nfs/dbraw/zinc/59/77/96/1070597796.db2.gz ZEIZKQPUHFXOFF-SANMLTNESA-N 0 0 535.961 5.862 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000409182124 1070600165 /nfs/dbraw/zinc/60/01/65/1070600165.db2.gz JGHPKWPXXASAQT-UHFFFAOYSA-N 0 0 570.941 5.764 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409182975 1070601752 /nfs/dbraw/zinc/60/17/52/1070601752.db2.gz PVOGBAPRCDOFGN-UHFFFAOYSA-N 0 0 511.486 5.954 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409203202 1070628823 /nfs/dbraw/zinc/62/88/23/1070628823.db2.gz UZQOWNLCGJCEGO-SRZZPIQSSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409216250 1070639553 /nfs/dbraw/zinc/63/95/53/1070639553.db2.gz GOEFMNFAVNECSZ-KEBDBYFISA-N 0 0 520.872 7.300 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409247210 1070664275 /nfs/dbraw/zinc/66/42/75/1070664275.db2.gz GVEWQMILMOJRSJ-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409265671 1070689811 /nfs/dbraw/zinc/68/98/11/1070689811.db2.gz NOKXUPOSXQPWRX-LSHDLFTRSA-N 0 0 652.357 6.996 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273083 1070712084 /nfs/dbraw/zinc/71/20/84/1070712084.db2.gz PNJHIHCKBUNFDQ-USDTVRPUSA-N 0 0 683.625 5.494 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409274346 1070714962 /nfs/dbraw/zinc/71/49/62/1070714962.db2.gz WEIFXZISKXKIJM-AFUMVMLFSA-N 0 0 552.992 6.145 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409274279 1070714974 /nfs/dbraw/zinc/71/49/74/1070714974.db2.gz OIKMFXIRANCUOQ-STBIYBPSSA-N 0 0 568.607 6.645 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409314996 1070816094 /nfs/dbraw/zinc/81/60/94/1070816094.db2.gz IGRTZEYLRNUDMW-UHFFFAOYSA-N 0 0 522.410 5.082 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409327603 1070828640 /nfs/dbraw/zinc/82/86/40/1070828640.db2.gz LIUJQCNKNKTEMB-IWIPYMOSSA-N 0 0 611.654 5.170 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409362274 1070878407 /nfs/dbraw/zinc/87/84/07/1070878407.db2.gz TUPIIPHLYONKNL-WQNUKSJVSA-N 0 0 713.006 6.018 40 5 KKBBRN CCOc1c(I)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000409369085 1070892616 /nfs/dbraw/zinc/89/26/16/1070892616.db2.gz BBXOWHLSNIIPCE-UHFFFAOYSA-N 0 0 561.328 5.217 40 5 KKBBRN O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCCC3)cc2Br)c1 ZINC000409373293 1070896645 /nfs/dbraw/zinc/89/66/45/1070896645.db2.gz TVHPFEAKVGJENU-UHFFFAOYSA-N 0 0 500.212 5.470 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401287 1070916390 /nfs/dbraw/zinc/91/63/90/1070916390.db2.gz SDWBKSFKDPCNOA-LSCVHKIXSA-N 0 0 625.215 5.716 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398204 1070918823 /nfs/dbraw/zinc/91/88/23/1070918823.db2.gz BVYVAUSZTHNNQQ-WSVATBPTSA-N 0 0 580.764 5.607 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408916898 1070996187 /nfs/dbraw/zinc/99/61/87/1070996187.db2.gz IDXQDRXTUZQTMO-ZVHZXABRSA-N 0 0 539.009 6.771 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408916750 1070997227 /nfs/dbraw/zinc/99/72/27/1070997227.db2.gz GWDAYBQGQKCANZ-MFKUBSTISA-N 0 0 504.564 6.117 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916687 1070999548 /nfs/dbraw/zinc/99/95/48/1070999548.db2.gz GEWBWFUTJUGPFI-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916653 1070999745 /nfs/dbraw/zinc/99/97/45/1070999745.db2.gz FQLVCQDLYLXOSO-WSDLNYQXSA-N 0 0 590.370 6.154 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408913663 1071016547 /nfs/dbraw/zinc/01/65/47/1071016547.db2.gz NHJHKXLNZMGABT-OINPTKSXSA-N 0 0 732.634 6.255 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409268216 1071076422 /nfs/dbraw/zinc/07/64/22/1071076422.db2.gz ZTVKGTKSHYLDPA-SSDVNMTOSA-N 0 0 666.731 7.271 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000408925717 1071076891 /nfs/dbraw/zinc/07/68/91/1071076891.db2.gz SKAQGRSRLRFKML-ZSJKCPIUSA-N 0 0 610.113 5.730 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408925505 1071077243 /nfs/dbraw/zinc/07/72/43/1071077243.db2.gz LLNJHWQXORNHGO-MDINZUHSSA-N 0 0 672.738 6.294 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000408924867 1071081629 /nfs/dbraw/zinc/08/16/29/1071081629.db2.gz RNOFNXJDVKHCAR-SUAMDDGLSA-N 0 0 589.695 5.385 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408923526 1071087233 /nfs/dbraw/zinc/08/72/33/1071087233.db2.gz FSKNSSPLOTYEOB-JBDWOJPXSA-N 0 0 696.829 7.279 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(CSc2ccccc2)cc1 ZINC000408922608 1071090140 /nfs/dbraw/zinc/09/01/40/1071090140.db2.gz CRRWTPPTUWOMKC-UHFFFAOYSA-N 0 0 533.631 5.721 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408921814 1071093084 /nfs/dbraw/zinc/09/30/84/1071093084.db2.gz XWIWNDSZNCZLPJ-UHFFFAOYSA-N 0 0 615.089 5.191 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408918796 1071128026 /nfs/dbraw/zinc/12/80/26/1071128026.db2.gz PEEWLCDVGBLVBG-ISQHLFTMSA-N 0 0 554.194 5.261 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1C ZINC000408918722 1071132132 /nfs/dbraw/zinc/13/21/32/1071132132.db2.gz OESPQBOCVBWWBE-QQNJPBSNSA-N 0 0 503.352 5.115 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408917504 1071146547 /nfs/dbraw/zinc/14/65/47/1071146547.db2.gz VVZICKCUAJQSFH-YDZHTSKRSA-N 0 0 587.423 6.711 40 5 KKBBRN CCOc1cc(OCC)c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408917283 1071147692 /nfs/dbraw/zinc/14/76/92/1071147692.db2.gz QJENYBQDYQAUMZ-VXLYETTFSA-N 0 0 507.362 5.391 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000408928545 1071181107 /nfs/dbraw/zinc/18/11/07/1071181107.db2.gz BZAFDSPZRIHKSL-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000408928245 1071184681 /nfs/dbraw/zinc/18/46/81/1071184681.db2.gz YIXIUWBKDCIUBD-UNDLXJOSSA-N 0 0 592.677 5.018 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408928159 1071187264 /nfs/dbraw/zinc/18/72/64/1071187264.db2.gz WMCIGUFETUOQSZ-UHAPOFRNSA-N 0 0 660.155 6.439 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408927834 1071191018 /nfs/dbraw/zinc/19/10/18/1071191018.db2.gz RZQVSTILGDCDOW-HZHHUVPKSA-N 0 0 636.730 5.498 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214948613 1071205366 /nfs/dbraw/zinc/20/53/66/1071205366.db2.gz WVCORUYDRHIBDR-DHRITJCHSA-N 0 0 629.410 8.558 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408936833 1071208510 /nfs/dbraw/zinc/20/85/10/1071208510.db2.gz GGBRSYKCLAICIJ-ILLSWNIOSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5cccc([N+](=O)[O-])c5)cc4Br)c(=O)n32)cc1OCC ZINC000408936165 1071214126 /nfs/dbraw/zinc/21/41/26/1071214126.db2.gz FRDWEERJUSJNEH-IMLSNNMKSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936345 1071212887 /nfs/dbraw/zinc/21/28/87/1071212887.db2.gz HVVTVPBEMASALS-MRWVFDTMSA-N 0 0 736.641 6.234 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934970 1071227257 /nfs/dbraw/zinc/22/72/57/1071227257.db2.gz DWBZVQHNTDPOOA-PRLWALMFSA-N 0 0 587.654 5.062 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F ZINC000408933073 1071244373 /nfs/dbraw/zinc/24/43/73/1071244373.db2.gz HGKPOAVCWJDJTB-GRSHGNNSSA-N 0 0 501.879 5.322 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408933123 1071244958 /nfs/dbraw/zinc/24/49/58/1071244958.db2.gz HTKAKUAJLKZMHQ-BVRRJIQMSA-N 0 0 652.729 5.035 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000408931857 1071257198 /nfs/dbraw/zinc/25/71/98/1071257198.db2.gz RCRUHZXCBQXKGJ-UUYOSTAYSA-N 0 0 755.328 6.366 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408946540 1071268497 /nfs/dbraw/zinc/26/84/97/1071268497.db2.gz OZVQOTFWHOFJNG-SXSMZTLPSA-N 0 0 738.613 5.464 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408946087 1071272477 /nfs/dbraw/zinc/27/24/77/1071272477.db2.gz OUWXLKJWLSEHCF-ZSJKCPIUSA-N 0 0 638.496 5.126 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408943296 1071292783 /nfs/dbraw/zinc/29/27/83/1071292783.db2.gz YTTRWPXDYOKVAF-FVMAXLJRSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408943370 1071293437 /nfs/dbraw/zinc/29/34/37/1071293437.db2.gz SGARJMOWKVHXSL-ZSXMQSLNSA-N 0 0 663.752 6.226 40 5 KKBBRN Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(O)c3)c3ccccc32)c1 ZINC000584578771 1071295649 /nfs/dbraw/zinc/29/56/49/1071295649.db2.gz WYCUKTYMWDQGCS-UHFFFAOYSA-N 0 0 542.682 10.947 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941107 1071310551 /nfs/dbraw/zinc/31/05/51/1071310551.db2.gz PQOVEMGOUFYZQV-PYCBVSLESA-N 0 0 613.692 5.073 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408938116 1071334841 /nfs/dbraw/zinc/33/48/41/1071334841.db2.gz RTWMJVNGTDTZCR-FVMAXLJRSA-N 0 0 820.456 5.670 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408686236 1071351549 /nfs/dbraw/zinc/35/15/49/1071351549.db2.gz RBDTUAQZBMDKIK-UHFFFAOYSA-N 0 0 557.148 6.201 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408684514 1071360402 /nfs/dbraw/zinc/36/04/02/1071360402.db2.gz NQCKSVOKUAMUAO-UHFFFAOYSA-N 0 0 608.048 7.369 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408685036 1071356892 /nfs/dbraw/zinc/35/68/92/1071356892.db2.gz OJXIDCOTHCGRID-UHFFFAOYSA-N 0 0 734.952 6.638 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683274 1071366808 /nfs/dbraw/zinc/36/68/08/1071366808.db2.gz LBAWOICDPAIINS-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000408682648 1071369004 /nfs/dbraw/zinc/36/90/04/1071369004.db2.gz LAONSGYIYWVGNB-BYVQZYKMSA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1 ZINC000408681364 1071373951 /nfs/dbraw/zinc/37/39/51/1071373951.db2.gz HXOXUDSYFFIYOC-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408681257 1071375643 /nfs/dbraw/zinc/37/56/43/1071375643.db2.gz HMJXQKCZGPPYTG-UHFFFAOYSA-N 0 0 618.054 6.825 40 5 KKBBRN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408691183 1071399787 /nfs/dbraw/zinc/39/97/87/1071399787.db2.gz YQTKTHQYKXRJRU-GFCCVEGCSA-N 0 0 577.204 5.401 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(F)cc1 ZINC000408690078 1071408880 /nfs/dbraw/zinc/40/88/80/1071408880.db2.gz ZPFIAZGRCZPKOG-UHFFFAOYSA-N 0 0 585.158 5.884 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689208 1071415616 /nfs/dbraw/zinc/41/56/16/1071415616.db2.gz XVCMMWORSXXYKT-UHFFFAOYSA-N 0 0 716.962 6.498 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408688662 1071418529 /nfs/dbraw/zinc/41/85/29/1071418529.db2.gz WLWDAVQDFLNFEN-UHFFFAOYSA-N 0 0 539.158 6.062 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688608 1071420693 /nfs/dbraw/zinc/42/06/93/1071420693.db2.gz WJBHRPDKYPYNMJ-FZDFQQAASA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688082 1071423656 /nfs/dbraw/zinc/42/36/56/1071423656.db2.gz VQUJREQNFMLWKK-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408687965 1071424993 /nfs/dbraw/zinc/42/49/93/1071424993.db2.gz VJOCEKWMGFBQSZ-UHFFFAOYSA-N 0 0 504.713 5.409 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408687525 1071428490 /nfs/dbraw/zinc/42/84/90/1071428490.db2.gz UNQOXAGUGFZOKH-UHFFFAOYSA-N 0 0 618.600 6.624 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408972951 1071448493 /nfs/dbraw/zinc/44/84/93/1071448493.db2.gz IGWSYYYNOXMMHO-DQARITGZSA-N 0 0 695.493 6.442 40 5 KKBBRN FC(F)(F)c1cccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)c1 ZINC000408975846 1071474042 /nfs/dbraw/zinc/47/40/42/1071474042.db2.gz ODGSYJWXGVNXDH-UHFFFAOYSA-N 0 0 500.509 6.707 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408974714 1071478786 /nfs/dbraw/zinc/47/87/86/1071478786.db2.gz CGBYGHNRUQJTFG-RISWYLRJSA-N 0 0 594.045 5.019 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000408710453 1071508577 /nfs/dbraw/zinc/50/85/77/1071508577.db2.gz GHFVFWFJRJVIOW-UHFFFAOYSA-N 0 0 533.500 5.380 40 5 KKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c3)sc2c1 ZINC000408710497 1071509062 /nfs/dbraw/zinc/50/90/62/1071509062.db2.gz WOFDPXHZGZLIRP-UHFFFAOYSA-N 0 0 533.953 6.326 40 5 KKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)sc2c1 ZINC000408710474 1071508446 /nfs/dbraw/zinc/50/84/46/1071508446.db2.gz NHPMRJZUZVOWOT-UHFFFAOYSA-N 0 0 533.953 6.326 40 5 KKBBRN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(C)c(C)c5)c4cc32)cc1C ZINC000408720328 1071511403 /nfs/dbraw/zinc/51/14/03/1071511403.db2.gz LFFVWUPEUHIOFZ-UHFFFAOYSA-N 0 0 626.760 9.855 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408982975 1071523188 /nfs/dbraw/zinc/52/31/88/1071523188.db2.gz KERSQFVCRDNCOK-NIQJEMAJSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408981448 1071534297 /nfs/dbraw/zinc/53/42/97/1071534297.db2.gz HLXFCGMQXXMRJT-GOWBIRFASA-N 0 0 737.810 6.154 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408981260 1071535507 /nfs/dbraw/zinc/53/55/07/1071535507.db2.gz AIYXWRXQWAHMPO-FJNIOPPGSA-N 0 0 708.587 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408981263 1071535572 /nfs/dbraw/zinc/53/55/72/1071535572.db2.gz AIYXWRXQWAHMPO-TZUCAZQYSA-N 0 0 708.587 5.455 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c(C)c1 ZINC000408980595 1071539221 /nfs/dbraw/zinc/53/92/21/1071539221.db2.gz FXMIGJDPSLEOHX-UHFFFAOYSA-N 0 0 595.753 6.893 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720301 1071545089 /nfs/dbraw/zinc/54/50/89/1071545089.db2.gz KZDQCOHLCFMGTN-MPCVTRCCSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c(OC)c1 ZINC000408979228 1071546034 /nfs/dbraw/zinc/54/60/34/1071546034.db2.gz QFYVYFDBEGDZEK-VSQRRKBNSA-N 0 0 662.724 5.378 40 5 KKBBRN Cc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4C)c3cc21 ZINC000408720490 1071543996 /nfs/dbraw/zinc/54/39/96/1071543996.db2.gz RFUDLZUZIMOSDX-UHFFFAOYSA-N 0 0 600.674 9.172 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736142 1071557203 /nfs/dbraw/zinc/55/72/03/1071557203.db2.gz HVVXHZAJKGEFRW-YVBHXKDBSA-N 0 0 628.663 5.530 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408993978 1071561072 /nfs/dbraw/zinc/56/10/72/1071561072.db2.gz DZVDXDRHOMYIAH-HGGMLFSRSA-N 0 0 727.820 6.938 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734508 1071564779 /nfs/dbraw/zinc/56/47/79/1071564779.db2.gz HFOZDNOQLLYKPS-GONGWJOBSA-N 0 0 592.717 5.902 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734602 1071564858 /nfs/dbraw/zinc/56/48/58/1071564858.db2.gz ZJYKUNRCZMCZFI-FJNIOPPGSA-N 0 0 654.657 5.752 40 5 KKBBRN O=c1[nH]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408993834 1071562656 /nfs/dbraw/zinc/56/26/56/1071562656.db2.gz XCRJXSBLTIGCKX-UHFFFAOYSA-N 0 0 551.631 6.910 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734859 1071563528 /nfs/dbraw/zinc/56/35/28/1071563528.db2.gz KQPMAXGLXMCMMA-IMUCPKNRSA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734382 1071565277 /nfs/dbraw/zinc/56/52/77/1071565277.db2.gz XQQFTWIPWIUULS-QUNTYYFUSA-N 0 0 675.075 6.097 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734273 1071566597 /nfs/dbraw/zinc/56/65/97/1071566597.db2.gz VZXFJWYCERHNCL-JFOVKABNSA-N 0 0 672.897 5.111 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc3ccccc32)C4=O)cc1C ZINC000408993059 1071567116 /nfs/dbraw/zinc/56/71/16/1071567116.db2.gz BSJMDWZJNLHCPP-UHFFFAOYSA-N 0 0 566.411 7.825 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408734331 1071567784 /nfs/dbraw/zinc/56/77/84/1071567784.db2.gz WYWFBCAZQGXBNB-ZJTZAHLKSA-N 0 0 694.947 6.642 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733930 1071568385 /nfs/dbraw/zinc/56/83/85/1071568385.db2.gz RXJZDOLFUFIRMG-TZYWHCFRSA-N 0 0 710.721 5.771 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733380 1071571816 /nfs/dbraw/zinc/57/18/16/1071571816.db2.gz HSAHOKJDSLUDQN-UPWSPCOFSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733398 1071571907 /nfs/dbraw/zinc/57/19/07/1071571907.db2.gz IFEDYBNTTQUWLO-VPVLBGOXSA-N 0 0 717.392 5.809 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733381 1071571925 /nfs/dbraw/zinc/57/19/25/1071571925.db2.gz HSAHOKJDSLUDQN-ZJTZAHLKSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733248 1071572884 /nfs/dbraw/zinc/57/28/84/1071572884.db2.gz GZPDVQXMSRFOII-OIUASMPBSA-N 0 0 656.116 6.199 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 ZINC000408733285 1071573465 /nfs/dbraw/zinc/57/34/65/1071573465.db2.gz WZPCREGRXILSDE-AVUDXFIYSA-N 0 0 576.561 5.287 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408733097 1071574439 /nfs/dbraw/zinc/57/44/39/1071574439.db2.gz WBWJQNBYRMLQGM-GSEVSCEOSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408992066 1071574755 /nfs/dbraw/zinc/57/47/55/1071574755.db2.gz QHXOUXAXHIIIND-DNQIBQKISA-N 0 0 639.136 5.714 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733150 1071574856 /nfs/dbraw/zinc/57/48/56/1071574856.db2.gz FGVACGPXXGMKOY-ZYDFGXJWSA-N 0 0 737.810 6.154 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408733015 1071576753 /nfs/dbraw/zinc/57/67/53/1071576753.db2.gz VBLUVMFKZVDQNW-ACNFANBVSA-N 0 0 580.980 5.932 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408732682 1071577259 /nfs/dbraw/zinc/57/72/59/1071577259.db2.gz UBCUYZHOOIDPLD-NWIVXPOESA-N 0 0 574.545 5.307 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408732686 1071577756 /nfs/dbraw/zinc/57/77/56/1071577756.db2.gz UBCUYZHOOIDPLD-SIZNEBELSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732525 1071578177 /nfs/dbraw/zinc/57/81/77/1071578177.db2.gz WHAPXMGDHODFGJ-VTXOETNRSA-N 0 0 780.812 6.289 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccccc1 ZINC000408732377 1071578660 /nfs/dbraw/zinc/57/86/60/1071578660.db2.gz QIBGKYGNJUNOOG-QZQBRAAYSA-N 0 0 530.536 5.578 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccccc1 ZINC000408732376 1071578701 /nfs/dbraw/zinc/57/87/01/1071578701.db2.gz QIBGKYGNJUNOOG-MUUFRUSVSA-N 0 0 530.536 5.578 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408732250 1071579165 /nfs/dbraw/zinc/57/91/65/1071579165.db2.gz PYZJUSTVFVXUJI-POBVQFHHSA-N 0 0 580.980 5.932 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408732251 1071579210 /nfs/dbraw/zinc/57/92/10/1071579210.db2.gz PYZJUSTVFVXUJI-RUZQMMQPSA-N 0 0 580.980 5.932 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccccc1 ZINC000408732057 1071579511 /nfs/dbraw/zinc/57/95/11/1071579511.db2.gz ORUVRULLMUKRTM-MUUFRUSVSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731931 1071580248 /nfs/dbraw/zinc/58/02/48/1071580248.db2.gz QWJLPLJGIHFDRF-VTXOETNRSA-N 0 0 780.812 6.289 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732100 1071580255 /nfs/dbraw/zinc/58/02/55/1071580255.db2.gz RZXYIBIIWGDABT-NJJIUVASSA-N 0 0 735.815 6.381 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408730429 1071586914 /nfs/dbraw/zinc/58/69/14/1071586914.db2.gz GFJRNTKYEOJQSL-JXVUYSPPSA-N 0 0 590.544 5.007 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408731360 1071582564 /nfs/dbraw/zinc/58/25/64/1071582564.db2.gz KADUWVWGFRKWSO-GDZXGLFHSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408731185 1071583123 /nfs/dbraw/zinc/58/31/23/1071583123.db2.gz LASFUMOEHGOUTR-BNUCFEHPSA-N 0 0 721.788 5.991 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730964 1071585010 /nfs/dbraw/zinc/58/50/10/1071585010.db2.gz XBUCOYOALUIDNC-PRLWALMFSA-N 0 0 626.603 5.135 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408990586 1071587298 /nfs/dbraw/zinc/58/72/98/1071587298.db2.gz XNMMBXULBVUHET-IQPMGOHCSA-N 0 0 670.747 5.855 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408730273 1071587323 /nfs/dbraw/zinc/58/73/23/1071587323.db2.gz GRCOSIZCSWCYSB-DNXAZHTDSA-N 0 0 735.815 6.381 40 5 KKBBRN O=c1[nH]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3 ZINC000408990707 1071588184 /nfs/dbraw/zinc/58/81/84/1071588184.db2.gz LLSGDUMCFWXYLK-UHFFFAOYSA-N 0 0 537.604 6.520 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730003 1071588737 /nfs/dbraw/zinc/58/87/37/1071588737.db2.gz DBARMWPHJHZOAS-QUNTYYFUSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408990041 1071592443 /nfs/dbraw/zinc/59/24/43/1071592443.db2.gz UZTWFHOWVCDENM-WNSYTLDPSA-N 0 0 672.897 5.111 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408990279 1071591968 /nfs/dbraw/zinc/59/19/68/1071591968.db2.gz KEVMBMYWAQTITH-WNOSOOIWSA-N 0 0 604.691 5.060 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408728943 1071594294 /nfs/dbraw/zinc/59/42/94/1071594294.db2.gz BDOBQJWAICMHAU-FJNIOPPGSA-N 0 0 779.463 7.071 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408989942 1071594335 /nfs/dbraw/zinc/59/43/35/1071594335.db2.gz VROCBJKOOQCVTR-WXKAHTKJSA-N 0 0 693.734 5.486 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728602 1071596387 /nfs/dbraw/zinc/59/63/87/1071596387.db2.gz PPYNIKKPGHEKNP-JUJAOGAQSA-N 0 0 584.220 5.013 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408989548 1071596965 /nfs/dbraw/zinc/59/69/65/1071596965.db2.gz ICLWINWOUMHSRP-JBVGNYNVSA-N 0 0 677.735 5.440 40 5 KKBBRN Cc1sc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1-c1ccccc1 ZINC000408738868 1071605995 /nfs/dbraw/zinc/60/59/95/1071605995.db2.gz WOECUQIHEWIMHJ-VWLOTQADSA-N 0 0 515.591 6.108 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408987719 1071610847 /nfs/dbraw/zinc/61/08/47/1071610847.db2.gz QXNNPYDOPBGPAN-AOLPSBPOSA-N 0 0 658.914 5.391 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408987446 1071612956 /nfs/dbraw/zinc/61/29/56/1071612956.db2.gz OSZYCTWLPRUBJN-QUNTYYFUSA-N 0 0 787.483 6.218 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408987352 1071613962 /nfs/dbraw/zinc/61/39/62/1071613962.db2.gz OFXKYMRWNVDCSC-DAIZXWHWSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408997227 1071614513 /nfs/dbraw/zinc/61/45/13/1071614513.db2.gz MCMNUOMGIJSIFJ-ZJTZAHLKSA-N 0 0 664.534 5.057 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(N(C)C)cc2)C4=O)ccc1Br ZINC000408996650 1071617060 /nfs/dbraw/zinc/61/70/60/1071617060.db2.gz LZKDFEQRSDMKFX-UHFFFAOYSA-N 0 0 559.420 6.738 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408995717 1071621563 /nfs/dbraw/zinc/62/15/63/1071621563.db2.gz MZBDSEMNNDGUFA-IQPMGOHCSA-N 0 0 691.762 5.830 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408996074 1071620493 /nfs/dbraw/zinc/62/04/93/1071620493.db2.gz NXWSVOLQKMWCEZ-LLXISZFLSA-N 0 0 677.760 5.785 40 5 KKBBRN CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408756994 1071634315 /nfs/dbraw/zinc/63/43/15/1071634315.db2.gz LDUYXJQZKBKCOT-UHFFFAOYSA-N 0 0 516.351 6.617 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408756123 1071639314 /nfs/dbraw/zinc/63/93/14/1071639314.db2.gz HQAPKRHNTBYMPY-UHFFFAOYSA-N 0 0 502.324 6.363 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409002635 1071640185 /nfs/dbraw/zinc/64/01/85/1071640185.db2.gz VUVSSSNHTQVHGM-SWBDNCPRSA-N 0 0 693.803 6.153 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408756044 1071641048 /nfs/dbraw/zinc/64/10/48/1071641048.db2.gz HDTBJNVDWLWPHC-UNDLXJOSSA-N 0 0 545.620 5.795 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408755938 1071642186 /nfs/dbraw/zinc/64/21/86/1071642186.db2.gz GJTOEDZZPWCNCN-UHSYMONFSA-N 0 0 619.699 6.121 40 5 KKBBRN COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408755705 1071642735 /nfs/dbraw/zinc/64/27/35/1071642735.db2.gz DSTLEOQNNMPJQI-UHFFFAOYSA-N 0 0 518.323 6.063 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000161 1071651020 /nfs/dbraw/zinc/65/10/20/1071651020.db2.gz MSIAAPPBQZKQQE-DTDQMKFYSA-N 0 0 678.679 5.553 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755023 1071648297 /nfs/dbraw/zinc/64/82/97/1071648297.db2.gz BDDHQKFOGKNVJW-HDFSHUSISA-N 0 0 531.593 5.487 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999489 1071654135 /nfs/dbraw/zinc/65/41/35/1071654135.db2.gz LJDMILBGLXUBBB-QZVQSRICSA-N 0 0 727.842 5.642 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999042 1071655763 /nfs/dbraw/zinc/65/57/63/1071655763.db2.gz VXZDBMDSUBJWCV-QZROFMJUSA-N 0 0 703.817 6.945 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408752749 1071662020 /nfs/dbraw/zinc/66/20/20/1071662020.db2.gz JXCAUFZJCCAYHU-BCBQGPIMSA-N 0 0 500.554 6.007 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408997696 1071663239 /nfs/dbraw/zinc/66/32/39/1071663239.db2.gz SKMMPMNNGBKNGZ-OTHIGLTOSA-N 0 0 690.734 6.668 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408997506 1071663817 /nfs/dbraw/zinc/66/38/17/1071663817.db2.gz MSSMMHGFUYDAFH-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1 ZINC000409016485 1071667201 /nfs/dbraw/zinc/66/72/01/1071667201.db2.gz JNTREYWPVSHYIA-UHFFFAOYSA-N 0 0 522.944 7.170 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409014955 1071673333 /nfs/dbraw/zinc/67/33/33/1071673333.db2.gz QONGSBCZSPZIAN-NNLQFVHNSA-N 0 0 708.268 5.371 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(C2CCCCC2)cc1 ZINC000408750738 1071673832 /nfs/dbraw/zinc/67/38/32/1071673832.db2.gz RDBCOAXPEHWHQY-UHFFFAOYSA-N 0 0 557.653 7.028 40 5 KKBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409014699 1071674503 /nfs/dbraw/zinc/67/45/03/1071674503.db2.gz NTFRBJIBNKCXRA-NSQMGQQPSA-N 0 0 592.717 5.520 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(Br)cc1 ZINC000408750413 1071675583 /nfs/dbraw/zinc/67/55/83/1071675583.db2.gz MNERRSBBPJTXPJ-UHFFFAOYSA-N 0 0 554.403 5.743 40 5 KKBBRN CC[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409013245 1071680858 /nfs/dbraw/zinc/68/08/58/1071680858.db2.gz MTNUXOSMXLDZRU-NPNVKNKFSA-N 0 0 521.389 5.780 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409012752 1071683449 /nfs/dbraw/zinc/68/34/49/1071683449.db2.gz KKXIHXLVNDCWSU-RNDVCUHJSA-N 0 0 521.389 5.780 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCc1ccccc1 ZINC000409007745 1071702545 /nfs/dbraw/zinc/70/25/45/1071702545.db2.gz RCYIXNROGDUVBM-HMAPJEAMSA-N 0 0 712.303 6.662 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408759507 1071701045 /nfs/dbraw/zinc/70/10/45/1071701045.db2.gz GHYOJKOYKSWFDY-IVWKLCDSSA-N 0 0 741.778 6.233 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757992 1071709768 /nfs/dbraw/zinc/70/97/68/1071709768.db2.gz TZTCOPMJOXYUPX-OBDCIHEFSA-N 0 0 624.516 6.558 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc2ccccc2c1)C3=O ZINC000408758197 1071706930 /nfs/dbraw/zinc/70/69/30/1071706930.db2.gz WUMUHKWDBVFFLQ-UHFFFAOYSA-N 0 0 537.369 7.440 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758058 1071707762 /nfs/dbraw/zinc/70/77/62/1071707762.db2.gz UVGPALIYRQEEGI-PKYOQBLNSA-N 0 0 610.489 6.249 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758101 1071708372 /nfs/dbraw/zinc/70/83/72/1071708372.db2.gz VJZHSXYIQHDIFV-PKYOQBLNSA-N 0 0 610.489 6.249 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1C)C3=O ZINC000408757745 1071710232 /nfs/dbraw/zinc/71/02/32/1071710232.db2.gz QGHWJGVCSKFEIT-UHFFFAOYSA-N 0 0 501.336 6.595 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408757904 1071709227 /nfs/dbraw/zinc/70/92/27/1071709227.db2.gz SBPWYWSCBYNQCB-QQMBNGEASA-N 0 0 638.543 6.866 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n31)c1ccccc1CC2 ZINC000408757668 1071711119 /nfs/dbraw/zinc/71/11/19/1071711119.db2.gz OLQZCFHXJMBQSB-VSQRRKBNSA-N 0 0 757.606 6.428 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408757688 1071711653 /nfs/dbraw/zinc/71/16/53/1071711653.db2.gz OVBBGARAEFBVDW-PNQAETMRSA-N 0 0 711.550 6.699 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757422 1071711700 /nfs/dbraw/zinc/71/17/00/1071711700.db2.gz MZPXKGWRDQBCTN-UNDLXJOSSA-N 0 0 545.620 5.795 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409023137 1071715981 /nfs/dbraw/zinc/71/59/81/1071715981.db2.gz MSZSTTOWRHHFMY-UHFFFAOYSA-N 0 0 545.661 5.897 40 5 KKBBRN CC(C)N1C(=O)S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O ZINC000409023268 1071716323 /nfs/dbraw/zinc/71/63/23/1071716323.db2.gz ZYACBXNCAHCKIA-ITYLOYPMSA-N 0 0 509.587 7.164 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409023045 1071716808 /nfs/dbraw/zinc/71/68/08/1071716808.db2.gz BXAGMKIJRLFSRG-VCHYOVAHSA-N 0 0 554.362 5.232 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 ZINC000408765049 1071725513 /nfs/dbraw/zinc/72/55/13/1071725513.db2.gz BHZODQFESZDUDL-IIMDPYCFSA-N 0 0 630.509 6.802 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408763416 1071731833 /nfs/dbraw/zinc/73/18/33/1071731833.db2.gz ODEYMGXKHAWGBY-JBVGNYNVSA-N 0 0 756.631 6.203 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036636 1071741109 /nfs/dbraw/zinc/74/11/09/1071741109.db2.gz LCYASDHAMFZJBP-LMWPEEHHSA-N 0 0 845.519 5.761 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000409036630 1071741170 /nfs/dbraw/zinc/74/11/70/1071741170.db2.gz LZCQJGWWIDQZFE-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409036559 1071742391 /nfs/dbraw/zinc/74/23/91/1071742391.db2.gz RREWNIMKMAIOAY-KOHOJCOXSA-N 0 0 636.730 5.497 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409036419 1071742539 /nfs/dbraw/zinc/74/25/39/1071742539.db2.gz LEOUKVCOWYVPDD-CRCYZHLCSA-N 0 0 608.072 5.407 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770462 1071743835 /nfs/dbraw/zinc/74/38/35/1071743835.db2.gz XTTCPMLPMXVQDW-HWMKKPCCSA-N 0 0 729.005 5.719 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000409035845 1071747038 /nfs/dbraw/zinc/74/70/38/1071747038.db2.gz KMPBNTUNQHZFLY-LCQSEVKBSA-N 0 0 666.550 5.826 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)sc2=N1 ZINC000409035421 1071750641 /nfs/dbraw/zinc/75/06/41/1071750641.db2.gz JTOMORSWKYLBKJ-UQDCTOEPSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034776 1071758059 /nfs/dbraw/zinc/75/80/59/1071758059.db2.gz RAOMSRTWPKMSPH-PANBRXNZSA-N 0 0 841.646 5.519 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408774572 1071760552 /nfs/dbraw/zinc/76/05/52/1071760552.db2.gz WMZIMQBODCNLIX-OIUASMPBSA-N 0 0 884.490 6.579 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408773599 1071767522 /nfs/dbraw/zinc/76/75/22/1071767522.db2.gz VNINOYRFXDPHRQ-ANHNRMLZSA-N 0 0 682.802 6.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033595 1071768937 /nfs/dbraw/zinc/76/89/37/1071768937.db2.gz FTMKZYLHSPVWSS-GWRYVSOYSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033170 1071772605 /nfs/dbraw/zinc/77/26/05/1071772605.db2.gz NHKQRVFUURZHAK-PNQAETMRSA-N 0 0 766.667 6.243 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770301 1071785560 /nfs/dbraw/zinc/78/55/60/1071785560.db2.gz VUERWKNSTSRBNL-MNIFGUMRSA-N 0 0 755.556 5.195 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031920 1071783560 /nfs/dbraw/zinc/78/35/60/1071783560.db2.gz BMGJHPYIXIYEHV-BQCQJZCVSA-N 0 0 796.649 5.007 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000409031954 1071783590 /nfs/dbraw/zinc/78/35/90/1071783590.db2.gz IESVTTNVUUTVSI-CSJROMOCSA-N 0 0 651.539 5.049 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032021 1071784535 /nfs/dbraw/zinc/78/45/35/1071784535.db2.gz HVWWFBSCFNQDDK-RIFKOAFWSA-N 0 0 673.744 5.090 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408769962 1071790307 /nfs/dbraw/zinc/79/03/07/1071790307.db2.gz RDVYGLFKHUIKJY-IKHSWBDUSA-N 0 0 676.751 5.768 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030724 1071793828 /nfs/dbraw/zinc/79/38/28/1071793828.db2.gz HOKVOQFIUYCESC-BXMULHQWSA-N 0 0 697.688 6.313 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409030733 1071794255 /nfs/dbraw/zinc/79/42/55/1071794255.db2.gz FKSPRNFOMDEKND-UQDCTOEPSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030108 1071801651 /nfs/dbraw/zinc/80/16/51/1071801651.db2.gz CKLVDMBXWOQDAH-OCDQFKQQSA-N 0 0 752.640 5.852 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408782269 1071811125 /nfs/dbraw/zinc/81/11/25/1071811125.db2.gz GOOGZWMXBNDQJK-TVRVIFGSSA-N 0 0 864.556 7.913 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409027847 1071814161 /nfs/dbraw/zinc/81/41/61/1071814161.db2.gz UENPWOPEEQOQIG-UHFFFAOYSA-N 0 0 527.908 5.409 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408781088 1071819462 /nfs/dbraw/zinc/81/94/62/1071819462.db2.gz RKJAHTITXDNUAH-IYVASWNSSA-N 0 0 584.492 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1cccs1 ZINC000408780175 1071826372 /nfs/dbraw/zinc/82/63/72/1071826372.db2.gz UPVHNUVLOVCPDU-YNMQQHPQSA-N 0 0 625.684 5.140 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408779139 1071832778 /nfs/dbraw/zinc/83/27/78/1071832778.db2.gz AHJUCXMJXFZQMC-QZVQSRICSA-N 0 0 698.222 6.798 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408778729 1071833975 /nfs/dbraw/zinc/83/39/75/1071833975.db2.gz XRJMFMTUZDCMHX-ZMTYCLHQSA-N 0 0 763.895 7.984 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 ZINC000408778836 1071834574 /nfs/dbraw/zinc/83/45/74/1071834574.db2.gz MEFUKQZZAFRWBC-HWANIQDNSA-N 0 0 650.156 6.858 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045382 1071840722 /nfs/dbraw/zinc/84/07/22/1071840722.db2.gz IPDFZQWXMWSJGF-OKMHPQNISA-N 0 0 799.640 5.695 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409046017 1071837155 /nfs/dbraw/zinc/83/71/55/1071837155.db2.gz QVTJFZCVBKEVEO-IVRZUQNJSA-N 0 0 939.519 5.445 40 5 KKBBRN O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408787208 1071844714 /nfs/dbraw/zinc/84/47/14/1071844714.db2.gz UUWBVVAZIJBCLE-MRWVFDTMSA-N 0 0 603.631 5.585 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)S2)cc1 ZINC000408786981 1071846591 /nfs/dbraw/zinc/84/65/91/1071846591.db2.gz ZBUCJFVCKGJNCF-GSFJQCGGSA-N 0 0 572.690 7.882 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2cccc3ccccc32)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408786115 1071853029 /nfs/dbraw/zinc/85/30/29/1071853029.db2.gz MKNGQCJETBBIBL-XHSDYDGRSA-N 0 0 621.718 6.959 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)S2)cc1 ZINC000408785878 1071855896 /nfs/dbraw/zinc/85/58/96/1071855896.db2.gz JBIZBERITRWMBC-NFYDWNOTSA-N 0 0 570.465 6.107 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409043679 1071857636 /nfs/dbraw/zinc/85/76/36/1071857636.db2.gz ZAEHIONBNSBISH-JAYSWQADSA-N 0 0 713.404 5.811 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000409043212 1071861814 /nfs/dbraw/zinc/86/18/14/1071861814.db2.gz YFONZOTXTARYKT-PYCBVSLESA-N 0 0 613.692 5.073 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000409043211 1071861933 /nfs/dbraw/zinc/86/19/33/1071861933.db2.gz YFONZOTXTARYKT-JLHDDXNDSA-N 0 0 613.692 5.073 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409043255 1071862561 /nfs/dbraw/zinc/86/25/61/1071862561.db2.gz YPAPXTKYXIGQSA-GVMLUORFSA-N 0 0 713.404 5.811 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000409041417 1071879930 /nfs/dbraw/zinc/87/99/30/1071879930.db2.gz VTJFCLMQNJLVSL-LCQSEVKBSA-N 0 0 666.550 5.826 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041276 1071881114 /nfs/dbraw/zinc/88/11/14/1071881114.db2.gz UKPSFEYYIKYINB-OKMHPQNISA-N 0 0 769.614 5.686 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040825 1071885771 /nfs/dbraw/zinc/88/57/71/1071885771.db2.gz USKVIGSDUJQZTA-CFPUELQSSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409040417 1071890295 /nfs/dbraw/zinc/89/02/95/1071890295.db2.gz IACXQXUIHUNIOW-QMRKCUAASA-N 0 0 772.839 6.062 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1Cl ZINC000408791269 1071891616 /nfs/dbraw/zinc/89/16/16/1071891616.db2.gz XXVCDUKKRLDUFZ-HWANIQDNSA-N 0 0 650.156 6.858 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409039019 1071903652 /nfs/dbraw/zinc/90/36/52/1071903652.db2.gz GEYNKMFMMHMPRJ-FSEOGBMLSA-N 0 0 721.413 6.825 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2=N1 ZINC000409039033 1071904312 /nfs/dbraw/zinc/90/43/12/1071904312.db2.gz VYAVNLDMLXGIIK-KMBIYUNPSA-N 0 0 668.953 5.701 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408806773 1071901883 /nfs/dbraw/zinc/90/18/83/1071901883.db2.gz BSBJJNRKNNPKIW-LRUGRNCASA-N 0 0 630.053 5.896 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048829 1071913411 /nfs/dbraw/zinc/91/34/11/1071913411.db2.gz PDZLZFAXEZYOHU-OCDQFKQQSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047352 1071910734 /nfs/dbraw/zinc/91/07/34/1071910734.db2.gz MJPWJUDEVHRSPO-FLGOMVIPSA-N 0 0 766.225 5.288 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047355 1071910744 /nfs/dbraw/zinc/91/07/44/1071910744.db2.gz MJPWJUDEVHRSPO-PGNBASISSA-N 0 0 766.225 5.288 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000409053707 1071938206 /nfs/dbraw/zinc/93/82/06/1071938206.db2.gz HFHXLDZPTWOWAR-QRVIBDJDSA-N 0 0 642.484 5.101 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409052675 1071944890 /nfs/dbraw/zinc/94/48/90/1071944890.db2.gz HRXAMFKHZYDSAV-QRVIBDJDSA-N 0 0 691.354 5.855 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409049405 1071965486 /nfs/dbraw/zinc/96/54/86/1071965486.db2.gz QRYSVHPDPFHHNY-ASUJOLEISA-N 0 0 597.136 6.547 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048521 1071971593 /nfs/dbraw/zinc/97/15/93/1071971593.db2.gz PAGOJOYIWHCUQV-SELCLYCASA-N 0 0 678.163 5.735 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409064660 1072013550 /nfs/dbraw/zinc/01/35/50/1072013550.db2.gz DGSSOBIIAYZXKY-SRZZPIQSSA-N 0 0 511.893 5.068 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409062158 1072025699 /nfs/dbraw/zinc/02/56/99/1072025699.db2.gz OQJAMSWBMFGDFA-IWIPYMOSSA-N 0 0 566.035 5.537 40 5 KKBBRN CC(C)N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409061056 1072031716 /nfs/dbraw/zinc/03/17/16/1072031716.db2.gz ZVOOTMWSFYFKIC-MFOYZWKCSA-N 0 0 650.232 5.828 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409077129 1072043799 /nfs/dbraw/zinc/04/37/99/1072043799.db2.gz CPUFVUVLLIBFEJ-DBHVVYFFSA-N 0 0 714.594 6.210 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079824 1072129240 /nfs/dbraw/zinc/12/92/40/1072129240.db2.gz MJFIHXRSGCPLHT-SODCYNRPSA-N 0 0 752.640 5.854 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079276 1072136715 /nfs/dbraw/zinc/13/67/15/1072136715.db2.gz ALPGPQMLOLEALC-INJWXVQMSA-N 0 0 733.424 6.363 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1C1CCCCC1 ZINC000409078093 1072148696 /nfs/dbraw/zinc/14/86/96/1072148696.db2.gz HQBFDMVFDATMIS-NDENLUEZSA-N 0 0 579.245 5.924 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409313430 1072151868 /nfs/dbraw/zinc/15/18/68/1072151868.db2.gz BXZXFGZWQCDHFD-UHFFFAOYSA-N 0 0 526.373 5.179 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409086824 1072161070 /nfs/dbraw/zinc/16/10/70/1072161070.db2.gz RUOQZGRRAFIRLW-HRIDGTDGSA-N 0 0 613.533 5.876 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409086490 1072167408 /nfs/dbraw/zinc/16/74/08/1072167408.db2.gz VTXVIDVPSHFCKA-IVQFASICSA-N 0 0 701.599 5.789 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084548 1072189013 /nfs/dbraw/zinc/18/90/13/1072189013.db2.gz XLUYWMIJXCFRJG-ZWTBYVTRSA-N 0 0 668.522 5.136 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000409082362 1072213486 /nfs/dbraw/zinc/21/34/86/1072213486.db2.gz IZBFDKDFOQIEJB-PYCBVSLESA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409082049 1072216980 /nfs/dbraw/zinc/21/69/80/1072216980.db2.gz LPHRVKIKRNEPAD-GVMLUORFSA-N 0 0 807.404 5.495 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409327104 1072241515 /nfs/dbraw/zinc/24/15/15/1072241515.db2.gz HZUKGYGSLXFCCI-ZMOGYAJESA-N 0 0 562.560 6.094 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094583 1072245463 /nfs/dbraw/zinc/24/54/63/1072245463.db2.gz FCBGYYAVCZVBNR-PSAPEEBNSA-N 0 0 678.796 5.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409093419 1072252846 /nfs/dbraw/zinc/25/28/46/1072252846.db2.gz ZZOYNICDPGTKIO-PIXWUVMMSA-N 0 0 743.430 5.819 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409093418 1072252772 /nfs/dbraw/zinc/25/27/72/1072252772.db2.gz ZZOYNICDPGTKIO-JBDHCHCMSA-N 0 0 743.430 5.819 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092764 1072261210 /nfs/dbraw/zinc/26/12/10/1072261210.db2.gz WLFCPUWRQOVUHR-ZWTBYVTRSA-N 0 0 668.522 5.136 40 5 KKBBRN O=C1N/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1C1CCCCC1 ZINC000409093062 1072258442 /nfs/dbraw/zinc/25/84/42/1072258442.db2.gz ZAWLKMVTUNJAQQ-NDENLUEZSA-N 0 0 673.245 5.608 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccc(Cl)cc4)o3)sc2=N1 ZINC000409092731 1072260775 /nfs/dbraw/zinc/26/07/75/1072260775.db2.gz WJGFHTXHHTZLTB-MLJBDGAYSA-N 0 0 596.086 5.493 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccc(Cl)cc4)o3)sc2=N1 ZINC000409092729 1072260843 /nfs/dbraw/zinc/26/08/43/1072260843.db2.gz WJGFHTXHHTZLTB-BLJGQIRFSA-N 0 0 596.086 5.493 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000409091846 1072268293 /nfs/dbraw/zinc/26/82/93/1072268293.db2.gz SKYOMMMYJAMWEA-PYCBVSLESA-N 0 0 606.660 5.359 40 5 KKBBRN CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000409091590 1072271054 /nfs/dbraw/zinc/27/10/54/1072271054.db2.gz VJWNCQQFAJHOHF-UHFFFAOYSA-N 0 0 520.920 7.065 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409090462 1072280205 /nfs/dbraw/zinc/28/02/05/1072280205.db2.gz QTKIJFLJWQBISW-SLZKQOKCSA-N 0 0 650.757 6.050 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089756 1072286690 /nfs/dbraw/zinc/28/66/90/1072286690.db2.gz JWLHXBHGPNISDN-INJWXVQMSA-N 0 0 682.549 5.445 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409088335 1072299518 /nfs/dbraw/zinc/29/95/18/1072299518.db2.gz WXKUJUMDYPAWSY-JLHDDXNDSA-N 0 0 622.659 5.059 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409087687 1072305295 /nfs/dbraw/zinc/30/52/95/1072305295.db2.gz JJYWLEXBVYHZEC-OBDCIHEFSA-N 0 0 679.220 5.834 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409101979 1072310192 /nfs/dbraw/zinc/31/01/92/1072310192.db2.gz XJGOTANGKACIGK-FATJQOLTSA-N 0 0 591.733 5.427 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409101973 1072310204 /nfs/dbraw/zinc/31/02/04/1072310204.db2.gz XJGOTANGKACIGK-AOFXREQWSA-N 0 0 591.733 5.427 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409101568 1072313448 /nfs/dbraw/zinc/31/34/48/1072313448.db2.gz YJRLPBSGIBWLCW-LMSRTUJASA-N 0 0 696.605 5.199 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409101097 1072315962 /nfs/dbraw/zinc/31/59/62/1072315962.db2.gz VFEQRMPNMUQWPH-STEKTNRRSA-N 0 0 671.160 5.391 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409100741 1072318594 /nfs/dbraw/zinc/31/85/94/1072318594.db2.gz RXWQDJJYQWQWKY-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409099834 1072323341 /nfs/dbraw/zinc/32/33/41/1072323341.db2.gz UJOIDJGJKBOYHI-RAWKODRKSA-N 0 0 566.126 6.063 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409097771 1072335470 /nfs/dbraw/zinc/33/54/70/1072335470.db2.gz HGCWEVSPUKAXCS-SELCLYCASA-N 0 0 721.630 5.371 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409335083 1072342216 /nfs/dbraw/zinc/34/22/16/1072342216.db2.gz XMCIDLMROZSYCK-OYKKKHCWSA-N 0 0 562.604 5.979 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409334882 1072342505 /nfs/dbraw/zinc/34/25/05/1072342505.db2.gz WUIAHZYZCGKGJC-JVWAILMASA-N 0 0 575.643 6.371 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409106070 1072345174 /nfs/dbraw/zinc/34/51/74/1072345174.db2.gz KQBIBORJTDIOML-KEBDBYFISA-N 0 0 563.191 6.340 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409105930 1072345713 /nfs/dbraw/zinc/34/57/13/1072345713.db2.gz KBLPRTQJOGKQDI-LAUBZIAYSA-N 0 0 649.194 5.825 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409104653 1072353887 /nfs/dbraw/zinc/35/38/87/1072353887.db2.gz GNJVQMQKYMKGOJ-RGVLZGJSSA-N 0 0 528.746 5.687 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409104013 1072358490 /nfs/dbraw/zinc/35/84/90/1072358490.db2.gz IDBSCKNOODLDFA-GVMLUORFSA-N 0 0 611.507 5.579 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103597 1072359303 /nfs/dbraw/zinc/35/93/03/1072359303.db2.gz AOOHYFCYZBSFAE-FUAQWRKOSA-N 0 0 678.836 6.633 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409103641 1072359623 /nfs/dbraw/zinc/35/96/23/1072359623.db2.gz ATIWQPHAMACXAX-ZVHZXABRSA-N 0 0 689.484 5.861 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409102582 1072364638 /nfs/dbraw/zinc/36/46/38/1072364638.db2.gz DLPBPNHDNKKBRV-UFFVCSGVSA-N 0 0 579.425 5.323 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1Cc1ccccc1 ZINC000409117083 1072371267 /nfs/dbraw/zinc/37/12/67/1072371267.db2.gz QCMKXOLKAWEQMC-UMSFTDKQSA-N 0 0 590.079 8.189 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1Cc1ccccc1 ZINC000409117089 1072371276 /nfs/dbraw/zinc/37/12/76/1072371276.db2.gz QCMKXOLKAWEQMC-UUWRZZSWSA-N 0 0 590.079 8.189 40 5 KKBBRN Cc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116007 1072375294 /nfs/dbraw/zinc/37/52/94/1072375294.db2.gz LEJKHBRTPDLBGI-UHFFFAOYSA-N 0 0 540.639 7.273 40 5 KKBBRN Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl ZINC000409114456 1072381429 /nfs/dbraw/zinc/38/14/29/1072381429.db2.gz JRPVDINNCHXSMU-UHFFFAOYSA-N 0 0 540.639 7.273 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1Cc1ccccc1 ZINC000409115750 1072376478 /nfs/dbraw/zinc/37/64/78/1072376478.db2.gz KIGLYCKIHPBFQG-UMSFTDKQSA-N 0 0 590.079 8.189 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(I)cc1 ZINC000409329203 1072386624 /nfs/dbraw/zinc/38/66/24/1072386624.db2.gz BZDIZNDJLSYOBB-UUASQNMZSA-N 0 0 578.171 5.181 40 5 KKBBRN O=C1Nc2ccccc2/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409112339 1072389341 /nfs/dbraw/zinc/38/93/41/1072389341.db2.gz FVJPPEARQUWKQF-MFOYZWKCSA-N 0 0 530.172 6.192 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409328522 1072392772 /nfs/dbraw/zinc/39/27/72/1072392772.db2.gz WYLAFBTWLAZJAE-SSDVNMTOSA-N 0 0 629.401 5.741 40 5 KKBBRN COc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409110149 1072396627 /nfs/dbraw/zinc/39/66/27/1072396627.db2.gz SMCBQCIFVXSDDO-UHFFFAOYSA-N 0 0 520.323 5.408 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409109156 1072400919 /nfs/dbraw/zinc/40/09/19/1072400919.db2.gz YPQJWLSPFKFHRG-UDWIEESQSA-N 0 0 540.454 5.246 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000409337188 1072402877 /nfs/dbraw/zinc/40/28/77/1072402877.db2.gz YNKFAKUPNVCMIB-HSNHEXMOSA-N 0 0 560.562 5.587 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000409337213 1072402984 /nfs/dbraw/zinc/40/29/84/1072402984.db2.gz YSUFMSKLONSPPO-TZQPNWGHSA-N 0 0 594.963 5.652 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108567 1072405792 /nfs/dbraw/zinc/40/57/92/1072405792.db2.gz WVPVBVXXBMTEQZ-GVMLUORFSA-N 0 0 696.605 5.199 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107578 1072413420 /nfs/dbraw/zinc/41/34/20/1072413420.db2.gz WWKOZKNNRHGPPD-URFJJRPFSA-N 0 0 622.703 5.434 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409123007 1072418016 /nfs/dbraw/zinc/41/80/16/1072418016.db2.gz DGLIHZZFNLLRCT-XDHOZWIPSA-N 0 0 537.388 5.018 40 5 KKBBRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122010 1072423526 /nfs/dbraw/zinc/42/35/26/1072423526.db2.gz YBQWAVAKUYPBIC-UHFFFAOYSA-N 0 0 552.796 6.751 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409345268 1072425824 /nfs/dbraw/zinc/42/58/24/1072425824.db2.gz KWSGXWQAWCDKBO-FSJBWODESA-N 0 0 666.428 7.242 40 5 KKBBRN CCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409120486 1072430672 /nfs/dbraw/zinc/43/06/72/1072430672.db2.gz VYYHJFCYXCEEGE-UHFFFAOYSA-N 0 0 505.543 6.705 40 5 KKBBRN CC(C)(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409120292 1072431064 /nfs/dbraw/zinc/43/10/64/1072431064.db2.gz WFHZVQJCJVXVCJ-PMERELPUSA-N 0 0 505.618 7.254 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119683 1072433819 /nfs/dbraw/zinc/43/38/19/1072433819.db2.gz SQSIMSOERPWLRN-FSJBWODESA-N 0 0 609.433 5.175 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)O1 ZINC000409118618 1072439533 /nfs/dbraw/zinc/43/95/33/1072439533.db2.gz ORTNGGZQUAAXFC-HSZRJFAPSA-N 0 0 658.299 6.764 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C ZINC000409126436 1072452568 /nfs/dbraw/zinc/45/25/68/1072452568.db2.gz OYHTZYVYVXEDNF-VWLOTQADSA-N 0 0 556.733 5.437 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409341530 1072457996 /nfs/dbraw/zinc/45/79/96/1072457996.db2.gz BNEQSNKXOXNATQ-SRZZPIQSSA-N 0 0 603.394 5.751 40 5 KKBBRN CC(=O)Oc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409135236 1072487783 /nfs/dbraw/zinc/48/77/83/1072487783.db2.gz XTSDOJXTCNRXCK-GDLZYMKVSA-N 0 0 507.546 5.882 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000409337373 1072495684 /nfs/dbraw/zinc/49/56/84/1072495684.db2.gz ZVHSUPOWKRFYON-NWIVXPOESA-N 0 0 574.545 5.307 40 5 KKBBRN COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000409128988 1072521743 /nfs/dbraw/zinc/52/17/43/1072521743.db2.gz TUBSDSCYZHWHDK-MUUNZHRXSA-N 0 0 524.533 5.873 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409351778 1072531339 /nfs/dbraw/zinc/53/13/39/1072531339.db2.gz AUYQVPDTNXMSPR-NRFANRHFSA-N 0 0 545.065 5.416 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349684 1072548452 /nfs/dbraw/zinc/54/84/52/1072548452.db2.gz RCXOQXOMZWUKSW-UQDCTOEPSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349677 1072548461 /nfs/dbraw/zinc/54/84/61/1072548461.db2.gz RCXOQXOMZWUKSW-LCQSEVKBSA-N 0 0 604.084 5.247 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409142102 1072550466 /nfs/dbraw/zinc/55/04/66/1072550466.db2.gz BGCOJSAQUXDITC-GRXWAMFVSA-N 0 0 710.632 5.424 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(I)cc1 ZINC000409348958 1072553710 /nfs/dbraw/zinc/55/37/10/1072553710.db2.gz UELDVWBUNUYNFT-YBFXNURJSA-N 0 0 575.340 5.134 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348794 1072554641 /nfs/dbraw/zinc/55/46/41/1072554641.db2.gz PKOUMYHVZHYQIN-FQEVSTJZSA-N 0 0 599.928 6.414 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C ZINC000409140962 1072555373 /nfs/dbraw/zinc/55/53/73/1072555373.db2.gz HIBUTIYSKNMGRU-OAQYLSRUSA-N 0 0 630.550 5.467 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348454 1072556513 /nfs/dbraw/zinc/55/65/13/1072556513.db2.gz PIZAGPRRGRSFFV-OAQYLSRUSA-N 0 0 579.510 6.069 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)cc1[N+](=O)[O-] ZINC000409347761 1072561553 /nfs/dbraw/zinc/56/15/53/1072561553.db2.gz REABFFBWARWCMX-RGVLZGJSSA-N 0 0 542.367 5.601 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138531 1072569921 /nfs/dbraw/zinc/56/99/21/1072569921.db2.gz DEUDTFAVUYNAOD-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409367220 1072571749 /nfs/dbraw/zinc/57/17/49/1072571749.db2.gz LLONUBSPRTWERU-UHFFFAOYSA-N 0 0 587.279 5.802 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409145999 1072584585 /nfs/dbraw/zinc/58/45/85/1072584585.db2.gz PKNKNHLAPWXQRZ-JOHYPREOSA-N 0 0 707.834 6.189 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409156538 1072595120 /nfs/dbraw/zinc/59/51/20/1072595120.db2.gz ORDKEKHEPQCBPH-ZMFRSBBQSA-N 0 0 704.135 5.575 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl ZINC000409156177 1072596084 /nfs/dbraw/zinc/59/60/84/1072596084.db2.gz SWHITKAJEGJISR-UHFFFAOYSA-N 0 0 500.993 5.381 40 5 KKBBRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409361717 1072598107 /nfs/dbraw/zinc/59/81/07/1072598107.db2.gz QUUVMRWQNFDZFC-IBGZPJMESA-N 0 0 551.456 5.278 40 5 KKBBRN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409361842 1072598981 /nfs/dbraw/zinc/59/89/81/1072598981.db2.gz QVPXZOXCIWMGBB-IBGZPJMESA-N 0 0 551.456 5.278 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409155543 1072599945 /nfs/dbraw/zinc/59/99/45/1072599945.db2.gz LPWUFBKYMYYIAG-NHDPSOOVSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409155348 1072600408 /nfs/dbraw/zinc/60/04/08/1072600408.db2.gz QWOPDORQIFDEDN-FMCGGJTJSA-N 0 0 641.456 5.058 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409155136 1072601361 /nfs/dbraw/zinc/60/13/61/1072601361.db2.gz CAWUVOPPZNQWEO-UUYOSTAYSA-N 0 0 572.089 6.796 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409360660 1072606628 /nfs/dbraw/zinc/60/66/28/1072606628.db2.gz BTDVBUKWVKOTRN-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409359089 1072614711 /nfs/dbraw/zinc/61/47/11/1072614711.db2.gz MXPWVRKGPZIOMI-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Br)cc1 ZINC000409151862 1072622525 /nfs/dbraw/zinc/62/25/25/1072622525.db2.gz HVFFKTKQCLQMKC-UFFVCSGVSA-N 0 0 701.271 7.606 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409375472 1072623709 /nfs/dbraw/zinc/62/37/09/1072623709.db2.gz LIHSHARFABROKY-YSMPRRRNSA-N 0 0 652.523 5.956 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409150413 1072629864 /nfs/dbraw/zinc/62/98/64/1072629864.db2.gz BTWDUUSZCPPBSS-NVMNQCDNSA-N 0 0 538.365 5.143 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149611 1072634476 /nfs/dbraw/zinc/63/44/76/1072634476.db2.gz LARFLUOFOREINO-PIXWUVMMSA-N 0 0 724.659 5.816 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409149499 1072636099 /nfs/dbraw/zinc/63/60/99/1072636099.db2.gz IDFTVNSWWZPABP-WPWMEQJKSA-N 0 0 697.564 5.847 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409149339 1072636616 /nfs/dbraw/zinc/63/66/16/1072636616.db2.gz CAMJDWVTZYSHER-INJWXVQMSA-N 0 0 740.658 5.434 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409374687 1072636872 /nfs/dbraw/zinc/63/68/72/1072636872.db2.gz WRAFPXPYQWGHMV-OYKKKHCWSA-N 0 0 531.590 5.774 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c(C)c1 ZINC000409374512 1072637498 /nfs/dbraw/zinc/63/74/98/1072637498.db2.gz RNMKBEURTFMGAU-CFRMEGHHSA-N 0 0 595.655 5.271 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148164 1072643904 /nfs/dbraw/zinc/64/39/04/1072643904.db2.gz XMOFVDGVRMUFBL-DEOSSOPVSA-N 0 0 532.626 5.217 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409148044 1072645375 /nfs/dbraw/zinc/64/53/75/1072645375.db2.gz XWIIENVCLHAXKB-SVXDAGRPSA-N 0 0 679.780 5.410 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409147542 1072647960 /nfs/dbraw/zinc/64/79/60/1072647960.db2.gz XDPQBCYCHUDCJX-UQDCTOEPSA-N 0 0 600.052 5.773 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409165933 1072651054 /nfs/dbraw/zinc/65/10/54/1072651054.db2.gz BEJWZDVGYCSHMF-UDWIEESQSA-N 0 0 528.746 5.687 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409165588 1072654515 /nfs/dbraw/zinc/65/45/15/1072654515.db2.gz ZXPZNXCNVGQRJJ-WSDLNYQXSA-N 0 0 571.533 6.698 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409164541 1072659184 /nfs/dbraw/zinc/65/91/84/1072659184.db2.gz KAFWVOVLOMVMIH-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000409164103 1072661681 /nfs/dbraw/zinc/66/16/81/1072661681.db2.gz CKRZIYCZRKQPLY-DFXMODJXSA-N 0 0 635.698 5.729 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409163916 1072662098 /nfs/dbraw/zinc/66/20/98/1072662098.db2.gz ZMOCLWPXTRVRMP-FOKLQQMPSA-N 0 0 596.599 5.701 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409163295 1072664944 /nfs/dbraw/zinc/66/49/44/1072664944.db2.gz PBBUZIREIXYBLH-QRVIBDJDSA-N 0 0 582.432 5.920 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl ZINC000409162221 1072672228 /nfs/dbraw/zinc/67/22/28/1072672228.db2.gz YPDRRNWPSAFCMW-SRZZPIQSSA-N 0 0 634.848 6.122 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409161928 1072674212 /nfs/dbraw/zinc/67/42/12/1072674212.db2.gz XCZZZHILTZMROU-NTNOMAAHSA-N 0 0 649.725 6.199 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)o1 ZINC000409160808 1072680388 /nfs/dbraw/zinc/68/03/88/1072680388.db2.gz XGRGHLYAOSDXMJ-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409160596 1072681943 /nfs/dbraw/zinc/68/19/43/1072681943.db2.gz USBUIUKUKKZEGP-SSDVNMTOSA-N 0 0 650.429 7.460 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)o1 ZINC000409160007 1072685662 /nfs/dbraw/zinc/68/56/62/1072685662.db2.gz OZIPRVANDGBVFI-CIAFOILYSA-N 0 0 525.564 5.260 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409386593 1072685702 /nfs/dbraw/zinc/68/57/02/1072685702.db2.gz QKZOFJJJPDPJFR-SRZZPIQSSA-N 0 0 603.403 5.561 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409159715 1072687155 /nfs/dbraw/zinc/68/71/55/1072687155.db2.gz WMYCXGXXFMTYQD-RGVLZGJSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409158264 1072694941 /nfs/dbraw/zinc/69/49/41/1072694941.db2.gz ODNATHMWGZDANH-YDZHTSKRSA-N 0 0 693.903 6.506 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409157866 1072697270 /nfs/dbraw/zinc/69/72/70/1072697270.db2.gz WPFQSXQGXLJHSK-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409157586 1072699252 /nfs/dbraw/zinc/69/92/52/1072699252.db2.gz JLSFOCYTGDTBPQ-ZMOGYAJESA-N 0 0 568.007 5.901 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 ZINC000409384269 1072699892 /nfs/dbraw/zinc/69/98/92/1072699892.db2.gz ADNACXPIKLJXEZ-KEBDBYFISA-N 0 0 607.822 6.206 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409384318 1072700425 /nfs/dbraw/zinc/70/04/25/1072700425.db2.gz AWZNUDDQWYDPGI-SRZZPIQSSA-N 0 0 650.403 5.403 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409166859 1072702030 /nfs/dbraw/zinc/70/20/30/1072702030.db2.gz GAESCAFDZIMYMG-YDZHTSKRSA-N 0 0 555.406 6.181 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409166773 1072702835 /nfs/dbraw/zinc/70/28/35/1072702835.db2.gz GBBPEGLWYCCYHY-QFEZKATASA-N 0 0 540.601 5.890 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 ZINC000409166459 1072704488 /nfs/dbraw/zinc/70/44/88/1072704488.db2.gz DPIKZJVDQYWYCL-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177263 1072705510 /nfs/dbraw/zinc/70/55/10/1072705510.db2.gz GAPCIZWHOVSANR-CDWRSTBESA-N 0 0 682.582 6.299 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409177213 1072705970 /nfs/dbraw/zinc/70/59/70/1072705970.db2.gz DOMARKAYFREYNM-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409382206 1072707972 /nfs/dbraw/zinc/70/79/72/1072707972.db2.gz ZENCORFZLCETSB-NRFANRHFSA-N 0 0 515.975 5.604 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176317 1072708083 /nfs/dbraw/zinc/70/80/83/1072708083.db2.gz KFGKNZVGTSKAIF-BRJLIKDPSA-N 0 0 626.485 6.237 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409176340 1072708136 /nfs/dbraw/zinc/70/81/36/1072708136.db2.gz KXYUAFBVBNCZBX-UHFFFAOYSA-N 0 0 573.388 7.949 40 5 KKBBRN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409176982 1072709466 /nfs/dbraw/zinc/70/94/66/1072709466.db2.gz CYFKGCFVLIBKCS-UHFFFAOYSA-N 0 0 544.972 7.357 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409381267 1072714007 /nfs/dbraw/zinc/71/40/07/1072714007.db2.gz SNXZHTUTCUESSP-NRFANRHFSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409174819 1072720853 /nfs/dbraw/zinc/72/08/53/1072720853.db2.gz VRQFJJUGWBCVRE-DEOSSOPVSA-N 0 0 501.322 5.788 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409379934 1072721274 /nfs/dbraw/zinc/72/12/74/1072721274.db2.gz CNWZOMDFGGKBAL-VYYCAZPPSA-N 0 0 652.523 5.956 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl ZINC000409173687 1072725924 /nfs/dbraw/zinc/72/59/24/1072725924.db2.gz QEPMJJCPOYDBRF-FSJBWODESA-N 0 0 627.031 5.686 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409173567 1072726768 /nfs/dbraw/zinc/72/67/68/1072726768.db2.gz LYTWWIDIHUCRBU-UHFFFAOYSA-N 0 0 689.168 5.599 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409173376 1072727292 /nfs/dbraw/zinc/72/72/92/1072727292.db2.gz LMHYGPXEKJDLGN-SANMLTNESA-N 0 0 514.515 6.435 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409172578 1072733069 /nfs/dbraw/zinc/73/30/69/1072733069.db2.gz DBQHSBUFIRAMGP-SSDVNMTOSA-N 0 0 589.573 6.803 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409172478 1072734078 /nfs/dbraw/zinc/73/40/78/1072734078.db2.gz IVMJFSQZCPSAJO-LSFURLLWSA-N 0 0 670.847 7.805 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 ZINC000409388889 1072735224 /nfs/dbraw/zinc/73/52/24/1072735224.db2.gz XNUXZNXSLNXMIP-CFRMEGHHSA-N 0 0 583.544 6.027 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409171961 1072736726 /nfs/dbraw/zinc/73/67/26/1072736726.db2.gz FOCVQWSGSMLJNA-UUWRZZSWSA-N 0 0 565.585 7.653 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000409171576 1072739948 /nfs/dbraw/zinc/73/99/48/1072739948.db2.gz ABFDTUITSGZCSB-AREMUKBSSA-N 0 0 506.470 5.176 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409387708 1072741819 /nfs/dbraw/zinc/74/18/19/1072741819.db2.gz PNFNUDHXNVGKEW-YSMPRRRNSA-N 0 0 608.072 5.847 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409171139 1072742382 /nfs/dbraw/zinc/74/23/82/1072742382.db2.gz ZIJMAAHTQDDZQR-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409170775 1072743164 /nfs/dbraw/zinc/74/31/64/1072743164.db2.gz XFLRXGSJVBMHHO-RGVLZGJSSA-N 0 0 542.367 5.790 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Br)cc1 ZINC000409170562 1072745178 /nfs/dbraw/zinc/74/51/78/1072745178.db2.gz WFXOCVACHOOMHR-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl ZINC000409169861 1072746982 /nfs/dbraw/zinc/74/69/82/1072746982.db2.gz RKUKMBXJCHWXJI-CVKSISIWSA-N 0 0 624.071 6.459 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409169534 1072749667 /nfs/dbraw/zinc/74/96/67/1072749667.db2.gz QNJQWFWIFFVGBJ-ZMOGYAJESA-N 0 0 601.559 6.788 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl ZINC000409169482 1072749701 /nfs/dbraw/zinc/74/97/01/1072749701.db2.gz RBRUUFYLOPHLKJ-LSFURLLWSA-N 0 0 714.856 7.283 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409398973 1072751028 /nfs/dbraw/zinc/75/10/28/1072751028.db2.gz GOCGUPLFYZGSBP-NVNXTCNLSA-N 0 0 666.235 5.178 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409168423 1072754467 /nfs/dbraw/zinc/75/44/67/1072754467.db2.gz MIPMIEOUODYMCQ-FOKLQQMPSA-N 0 0 626.987 5.800 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000409184921 1072773062 /nfs/dbraw/zinc/77/30/62/1072773062.db2.gz YVCGPAOTJMLIEZ-GDLZYMKVSA-N 0 0 522.944 7.244 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C ZINC000409184518 1072776340 /nfs/dbraw/zinc/77/63/40/1072776340.db2.gz YSCNKBRAECTUHN-NDEPHWFRSA-N 0 0 529.570 5.825 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184326 1072777141 /nfs/dbraw/zinc/77/71/41/1072777141.db2.gz XNZCTDIWWZGJTA-UHFFFAOYSA-N 0 0 673.169 5.817 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409183473 1072783028 /nfs/dbraw/zinc/78/30/28/1072783028.db2.gz SQQWWWRAGGGHDX-UHFFFAOYSA-N 0 0 527.554 6.313 40 5 KKBBRN Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409183218 1072785284 /nfs/dbraw/zinc/78/52/84/1072785284.db2.gz SSVFHRFOQHMZPP-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Br)ccc1O ZINC000409412521 1072786445 /nfs/dbraw/zinc/78/64/45/1072786445.db2.gz RUFZZVHSNLDXBN-UHFFFAOYSA-N 0 0 547.218 5.379 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412451 1072787587 /nfs/dbraw/zinc/78/75/87/1072787587.db2.gz LKNDMGIKMWHASE-UHFFFAOYSA-N 0 0 595.262 6.348 40 5 KKBBRN Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409182741 1072788528 /nfs/dbraw/zinc/78/85/28/1072788528.db2.gz NKLDIICKNGBLQC-UHFFFAOYSA-N 0 0 605.386 6.843 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409182595 1072788893 /nfs/dbraw/zinc/78/88/93/1072788893.db2.gz MYXJBINJHFOIFL-AQOUDTPCSA-N 0 0 644.592 7.065 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181839 1072793700 /nfs/dbraw/zinc/79/37/00/1072793700.db2.gz FVIZZKBCSPXKFU-UHFFFAOYSA-N 0 0 627.820 7.514 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000409181649 1072796129 /nfs/dbraw/zinc/79/61/29/1072796129.db2.gz FLVHNAPGSHRIEH-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 ZINC000409411182 1072798980 /nfs/dbraw/zinc/79/89/80/1072798980.db2.gz FGYMGNDTIIWHKI-UHFFFAOYSA-N 0 0 540.399 5.350 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181169 1072799307 /nfs/dbraw/zinc/79/93/07/1072799307.db2.gz YKPAGOUUFPHGHZ-UHFFFAOYSA-N 0 0 532.018 5.324 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180851 1072801614 /nfs/dbraw/zinc/80/16/14/1072801614.db2.gz WLTQIAZXIBEUBB-GDWOTSJQSA-N 0 0 750.833 5.526 40 5 KKBBRN CCOc1cc(CNc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409180699 1072801820 /nfs/dbraw/zinc/80/18/20/1072801820.db2.gz UMEFJPLGIMJSBC-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000409180864 1072802108 /nfs/dbraw/zinc/80/21/08/1072802108.db2.gz WMOAUEHUQDAPEB-UHFFFAOYSA-N 0 0 621.558 7.197 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409180760 1072802509 /nfs/dbraw/zinc/80/25/09/1072802509.db2.gz ZZBDQJAEFWMLFR-YSMPRRRNSA-N 0 0 540.601 5.835 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 ZINC000409180590 1072803091 /nfs/dbraw/zinc/80/30/91/1072803091.db2.gz XPIQRHCRDQGLNP-UHFFFAOYSA-N 0 0 524.573 7.294 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180600 1072803126 /nfs/dbraw/zinc/80/31/26/1072803126.db2.gz XUOMOWUBHITSNT-UHFFFAOYSA-N 0 0 626.156 7.000 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409180568 1072803328 /nfs/dbraw/zinc/80/33/28/1072803328.db2.gz ZZPNVSOGJDDIPY-UHFFFAOYSA-N 0 0 665.452 8.100 40 5 KKBBRN O=C(COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180309 1072804926 /nfs/dbraw/zinc/80/49/26/1072804926.db2.gz WEIUKIINBZXAAC-UHFFFAOYSA-N 0 0 625.804 7.188 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180171 1072805846 /nfs/dbraw/zinc/80/58/46/1072805846.db2.gz PUXVFRFXEUHGDO-MPQUPPDSSA-N 0 0 727.638 6.047 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179624 1072809657 /nfs/dbraw/zinc/80/96/57/1072809657.db2.gz QTTUHMOCMYRMPI-LJAQVGFWSA-N 0 0 524.529 5.702 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c(C)c1 ZINC000409179246 1072810988 /nfs/dbraw/zinc/81/09/88/1072810988.db2.gz QRXOBDZUOXGSHM-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl ZINC000409178915 1072812706 /nfs/dbraw/zinc/81/27/06/1072812706.db2.gz KGLVFSVACPHZFX-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Oc3ccc(-c4cc(C(=O)OCc5cccc([N+](=O)[O-])c5)c5ccccc5n4)cc3)cc2)nc2ccccc21 ZINC000409178677 1072815234 /nfs/dbraw/zinc/81/52/34/1072815234.db2.gz NSFQSCHBRKBYIE-UHFFFAOYSA-N 0 0 782.765 10.440 40 5 KKBBRN Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178399 1072817312 /nfs/dbraw/zinc/81/73/12/1072817312.db2.gz HHHDRNZWGFJCEM-NDEPHWFRSA-N 0 0 534.524 5.793 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O ZINC000409178043 1072818751 /nfs/dbraw/zinc/81/87/51/1072818751.db2.gz DNWYVBBCXJKJEF-SANMLTNESA-N 0 0 574.467 6.195 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409177786 1072820324 /nfs/dbraw/zinc/82/03/24/1072820324.db2.gz IORBVBZBRFRBHB-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C ZINC000409177683 1072821384 /nfs/dbraw/zinc/82/13/84/1072821384.db2.gz CBPITTWSCYMTLI-MUUNZHRXSA-N 0 0 534.524 5.793 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)n2)cc1 ZINC000409177344 1072823756 /nfs/dbraw/zinc/82/37/56/1072823756.db2.gz FAAAHLGFCWNMBD-UHFFFAOYSA-N 0 0 565.607 7.428 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409192360 1072825143 /nfs/dbraw/zinc/82/51/43/1072825143.db2.gz BFGHXCGJXJEWKL-USPORGMFSA-N 0 0 791.355 8.050 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409196902 1072827965 /nfs/dbraw/zinc/82/79/65/1072827965.db2.gz ZXUWVWDQPCAPSI-MTJSOVHGSA-N 0 0 554.968 5.509 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197150 1072827974 /nfs/dbraw/zinc/82/79/74/1072827974.db2.gz XCWABZFEHPRQQW-LFVJCYFKSA-N 0 0 630.460 6.456 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409196847 1072829820 /nfs/dbraw/zinc/82/98/20/1072829820.db2.gz YEWNARBWJZYNOU-JJFYIABZSA-N 0 0 568.995 5.818 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409196403 1072832186 /nfs/dbraw/zinc/83/21/86/1072832186.db2.gz ZXEHPRYRPPKGEB-GWRYVSOYSA-N 0 0 826.151 6.569 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O ZINC000409196078 1072833644 /nfs/dbraw/zinc/83/36/44/1072833644.db2.gz YTUYGUTYBCKTJB-KCHOUBKZSA-N 0 0 642.212 5.812 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409195134 1072837966 /nfs/dbraw/zinc/83/79/66/1072837966.db2.gz UARNMIOECSSXKC-NTNOMAAHSA-N 0 0 767.289 6.951 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCN(c2ccccc2)CC1 ZINC000409194690 1072840576 /nfs/dbraw/zinc/84/05/76/1072840576.db2.gz LIMNEOSSXISXEV-MFKUBSTISA-N 0 0 691.482 6.554 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409194721 1072841154 /nfs/dbraw/zinc/84/11/54/1072841154.db2.gz QLZZHMZELFZSPP-GRSHGNNSSA-N 0 0 651.061 6.446 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409194775 1072841467 /nfs/dbraw/zinc/84/14/67/1072841467.db2.gz RBKLSXSJVOADNM-YNLGFCNJSA-N 0 0 518.909 5.610 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl ZINC000409194348 1072844561 /nfs/dbraw/zinc/84/45/61/1072844561.db2.gz AYCNZNFDETWAEL-FMCGGJTJSA-N 0 0 627.031 5.686 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409193961 1072845936 /nfs/dbraw/zinc/84/59/36/1072845936.db2.gz IYASTXPELKIVCA-ZVBGSRNCSA-N 0 0 656.820 7.497 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409193970 1072846177 /nfs/dbraw/zinc/84/61/77/1072846177.db2.gz JFTXJPXDGQGXJC-ZMOGYAJESA-N 0 0 533.562 5.166 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409194063 1072847090 /nfs/dbraw/zinc/84/70/90/1072847090.db2.gz MZPRFEMAQOGBGI-CIAFOILYSA-N 0 0 531.373 6.730 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194073 1072847160 /nfs/dbraw/zinc/84/71/60/1072847160.db2.gz NEZKCFCWKBEXAG-DDIUQFJASA-N 0 0 779.728 7.232 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409193175 1072851613 /nfs/dbraw/zinc/85/16/13/1072851613.db2.gz DPIUNFQGICIYIZ-VULFUBBASA-N 0 0 591.598 5.019 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409192955 1072851920 /nfs/dbraw/zinc/85/19/20/1072851920.db2.gz GLLXEMGQOPRXMX-SZYVSPPHSA-N 0 0 751.674 6.737 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409192952 1072852037 /nfs/dbraw/zinc/85/20/37/1072852037.db2.gz GLLXEMGQOPRXMX-QUNTYYFUSA-N 0 0 751.674 6.737 40 5 KKBBRN COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(OC)c1OC ZINC000409191939 1072858026 /nfs/dbraw/zinc/85/80/26/1072858026.db2.gz QSXTUHBDTPQSBQ-OCKHKDLRSA-N 0 0 662.243 5.709 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409191553 1072861807 /nfs/dbraw/zinc/86/18/07/1072861807.db2.gz ZACWBEAJRPLWNP-NSQMGQQPSA-N 0 0 734.263 6.865 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409190755 1072867015 /nfs/dbraw/zinc/86/70/15/1072867015.db2.gz WAEUMEIZAKUJDH-FUYPNTDJSA-N 0 0 797.746 8.210 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1 ZINC000409190381 1072870214 /nfs/dbraw/zinc/87/02/14/1072870214.db2.gz XYUATLIJUYDSBW-RYOBIWAXSA-N 0 0 687.203 5.790 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409190218 1072871599 /nfs/dbraw/zinc/87/15/99/1072871599.db2.gz MPHZKFPHHVWRSN-GTIUJOIGSA-N 0 0 776.344 7.989 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409189751 1072873673 /nfs/dbraw/zinc/87/36/73/1072873673.db2.gz IDORGGXUHPSZRM-PBKKUYBVSA-N 0 0 802.516 6.721 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409189749 1072873942 /nfs/dbraw/zinc/87/39/42/1072873942.db2.gz IDORGGXUHPSZRM-FSEOGBMLSA-N 0 0 802.516 6.721 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409189461 1072875826 /nfs/dbraw/zinc/87/58/26/1072875826.db2.gz PGMMLNCZOMJDKM-WKIZKNSPSA-N 0 0 794.315 6.882 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409188887 1072879910 /nfs/dbraw/zinc/87/99/10/1072879910.db2.gz BQSGOQSBIDODCC-NNAGEYCMSA-N 0 0 717.229 5.798 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC ZINC000409188923 1072880067 /nfs/dbraw/zinc/88/00/67/1072880067.db2.gz KQBJGSHLEJZWDP-LABNAMAPSA-N 0 0 686.309 6.881 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409188764 1072880886 /nfs/dbraw/zinc/88/08/86/1072880886.db2.gz GEYBIXZJDIWUHT-SPLCHINYSA-N 0 0 773.655 7.226 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409187661 1072886302 /nfs/dbraw/zinc/88/63/02/1072886302.db2.gz AKDZGAOVGQBIKW-MIUGUJGPSA-N 0 0 751.674 6.738 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409207283 1072886770 /nfs/dbraw/zinc/88/67/70/1072886770.db2.gz RFMVZVTUCFSOFE-BHGWPJFGSA-N 0 0 568.007 5.819 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409206415 1072891965 /nfs/dbraw/zinc/89/19/65/1072891965.db2.gz OCAKBFDIZUMGTO-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl ZINC000409206061 1072895209 /nfs/dbraw/zinc/89/52/09/1072895209.db2.gz MAECAPOXTPIPMP-CFRMEGHHSA-N 0 0 641.058 6.076 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204338 1072904579 /nfs/dbraw/zinc/90/45/79/1072904579.db2.gz FVGIHOQIEHQDJN-LPYMAVHISA-N 0 0 552.381 5.428 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409203742 1072908547 /nfs/dbraw/zinc/90/85/47/1072908547.db2.gz YZNVGYZWUKUJEU-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409203205 1072910520 /nfs/dbraw/zinc/91/05/20/1072910520.db2.gz WUAMJIWWGDVDRA-ODLFYWEKSA-N 0 0 555.366 5.220 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409203091 1072911046 /nfs/dbraw/zinc/91/10/46/1072911046.db2.gz WHNROVKSJRDBBB-ZVHZXABRSA-N 0 0 598.033 6.449 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409202792 1072912019 /nfs/dbraw/zinc/91/20/19/1072912019.db2.gz SEYDPTMXCXTETG-ZDLGFXPLSA-N 0 0 505.733 6.512 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409201965 1072916141 /nfs/dbraw/zinc/91/61/41/1072916141.db2.gz RPPGHABPOOEMQN-ZVBGSRNCSA-N 0 0 633.820 6.386 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409201756 1072916522 /nfs/dbraw/zinc/91/65/22/1072916522.db2.gz PLIOQKZJFCAHFL-HYARGMPZSA-N 0 0 514.481 6.685 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200945 1072920535 /nfs/dbraw/zinc/92/05/35/1072920535.db2.gz UDOGWIUZWNCLCO-UHFFFAOYSA-N 0 0 569.193 6.162 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409200380 1072921921 /nfs/dbraw/zinc/92/19/21/1072921921.db2.gz LBTFNKOCMWFVCM-RGVLZGJSSA-N 0 0 554.499 5.794 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409199618 1072925397 /nfs/dbraw/zinc/92/53/97/1072925397.db2.gz IFPDAAYALJNPIU-BUESGFEBSA-N 0 0 524.473 5.784 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409198448 1072930507 /nfs/dbraw/zinc/93/05/07/1072930507.db2.gz ARTLKJMKQDVGGN-DKSCHZSNSA-N 0 0 603.369 6.546 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409198293 1072931405 /nfs/dbraw/zinc/93/14/05/1072931405.db2.gz BSFPKZHKLOPQGE-TVPGTPATSA-N 0 0 565.616 5.993 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409208780 1072937153 /nfs/dbraw/zinc/93/71/53/1072937153.db2.gz ABDHUVIVQNSTJH-KEBDBYFISA-N 0 0 718.694 7.277 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409207439 1072942702 /nfs/dbraw/zinc/94/27/02/1072942702.db2.gz WZQYJVILQDXWEX-GRSHGNNSSA-N 0 0 506.989 5.635 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409210931 1072963645 /nfs/dbraw/zinc/96/36/45/1072963645.db2.gz LSGDATQGUDNRCU-SSDVNMTOSA-N 0 0 613.396 5.006 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000409209675 1072967998 /nfs/dbraw/zinc/96/79/98/1072967998.db2.gz HRIHSXNZZCWZEQ-MFKUBSTISA-N 0 0 516.962 7.221 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409226407 1072973990 /nfs/dbraw/zinc/97/39/90/1072973990.db2.gz VWGZOESSTYBGKQ-OCKHKDLRSA-N 0 0 528.905 5.250 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409225408 1072978317 /nfs/dbraw/zinc/97/83/17/1072978317.db2.gz QJBTXLJZLMLZQE-NUGSKGIGSA-N 0 0 650.866 6.412 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409219772 1073007760 /nfs/dbraw/zinc/00/77/60/1073007760.db2.gz QCGXNGFMEYVAIS-FOKLQQMPSA-N 0 0 571.970 5.650 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409219275 1073008612 /nfs/dbraw/zinc/00/86/12/1073008612.db2.gz KSMRVFMIVFMOLF-ZVHZXABRSA-N 0 0 504.520 5.102 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409217707 1073015232 /nfs/dbraw/zinc/01/52/32/1073015232.db2.gz FPQVTCZPHMHBTG-UUYOSTAYSA-N 0 0 584.404 5.863 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409230005 1073017664 /nfs/dbraw/zinc/01/76/64/1073017664.db2.gz ARJBAZGBRDBYLH-AUEPDCJTSA-N 0 0 616.421 5.759 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000409228599 1073026306 /nfs/dbraw/zinc/02/63/06/1073026306.db2.gz ZULYBGZOUMLATM-LPYMAVHISA-N 0 0 569.355 5.180 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409228550 1073027736 /nfs/dbraw/zinc/02/77/36/1073027736.db2.gz BKJUTOHMJXWQKD-CIAFOILYSA-N 0 0 660.275 5.239 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409227885 1073029903 /nfs/dbraw/zinc/02/99/03/1073029903.db2.gz SMJIZHJLPGNUAB-ZVHZXABRSA-N 0 0 670.460 5.271 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409227328 1073032234 /nfs/dbraw/zinc/03/22/34/1073032234.db2.gz XYQIMPPGHUMJCZ-MFKUBSTISA-N 0 0 518.547 5.492 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409236730 1073035640 /nfs/dbraw/zinc/03/56/40/1073035640.db2.gz GZRARHGMVVBOFL-ZMOGYAJESA-N 0 0 551.552 5.387 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000409234727 1073047962 /nfs/dbraw/zinc/04/79/62/1073047962.db2.gz XTQPKSDEXNJNNB-JVWAILMASA-N 0 0 569.595 6.011 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409234752 1073048216 /nfs/dbraw/zinc/04/82/16/1073048216.db2.gz MDHNDGCXEDFUHQ-YDZHTSKRSA-N 0 0 584.006 5.519 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409234282 1073050786 /nfs/dbraw/zinc/05/07/86/1073050786.db2.gz KCGSCQDGKMTLLW-RGVLZGJSSA-N 0 0 521.389 5.781 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409233674 1073053952 /nfs/dbraw/zinc/05/39/52/1073053952.db2.gz HDGQOTQTBUCHOM-ZVHZXABRSA-N 0 0 623.460 5.429 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409233680 1073054042 /nfs/dbraw/zinc/05/40/42/1073054042.db2.gz HGFKVEHEPFMQNI-XDHOZWIPSA-N 0 0 521.389 5.781 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409244833 1073086786 /nfs/dbraw/zinc/08/67/86/1073086786.db2.gz JHBBSFUVBQLTKN-XDHOZWIPSA-N 0 0 537.388 5.018 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000409244489 1073087937 /nfs/dbraw/zinc/08/79/37/1073087937.db2.gz DIBXYKALTWCUGI-WSDLNYQXSA-N 0 0 512.349 5.882 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409243051 1073094391 /nfs/dbraw/zinc/09/43/91/1073094391.db2.gz UXMRGPGIQZGDPA-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409241938 1073099337 /nfs/dbraw/zinc/09/93/37/1073099337.db2.gz ZLDNYWWQPDNQAT-WSDLNYQXSA-N 0 0 599.381 5.188 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409240864 1073105187 /nfs/dbraw/zinc/10/51/87/1073105187.db2.gz QHPIEJYMHYEAMF-RGVLZGJSSA-N 0 0 518.740 6.231 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409239269 1073114963 /nfs/dbraw/zinc/11/49/63/1073114963.db2.gz PCCKXKRXJRYSCU-WSDLNYQXSA-N 0 0 507.930 5.237 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409237719 1073125891 /nfs/dbraw/zinc/12/58/91/1073125891.db2.gz BJZUKRNKOLJECO-YDZHTSKRSA-N 0 0 693.903 6.506 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl ZINC000409237595 1073126535 /nfs/dbraw/zinc/12/65/35/1073126535.db2.gz AFWBZOADXGIBKV-SRZZPIQSSA-N 0 0 637.295 6.918 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409249799 1073139599 /nfs/dbraw/zinc/13/95/99/1073139599.db2.gz OTGBELOKLUQOSN-ZVHZXABRSA-N 0 0 670.460 5.271 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409248929 1073145919 /nfs/dbraw/zinc/14/59/19/1073145919.db2.gz LVVAOIZUQXGSRJ-YDZHTSKRSA-N 0 0 613.408 5.578 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409247556 1073153332 /nfs/dbraw/zinc/15/33/32/1073153332.db2.gz IFPNAUYOLGSKDI-ZVHZXABRSA-N 0 0 579.009 5.320 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000409255278 1073156153 /nfs/dbraw/zinc/15/61/53/1073156153.db2.gz HQFJAYWNDQCFNB-QRVIBDJDSA-N 0 0 645.431 5.462 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409256236 1073162385 /nfs/dbraw/zinc/16/23/85/1073162385.db2.gz KJEREVLHMBKXJJ-JMIUGGIZSA-N 0 0 622.375 6.029 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409254419 1073172256 /nfs/dbraw/zinc/17/22/56/1073172256.db2.gz DPQLVYVFIKYOSY-LGJNPRDNSA-N 0 0 654.495 5.919 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409260054 1073236583 /nfs/dbraw/zinc/23/65/83/1073236583.db2.gz JYXGLFQUZNALTL-WSDLNYQXSA-N 0 0 726.286 6.302 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409258540 1073245153 /nfs/dbraw/zinc/24/51/53/1073245153.db2.gz XYEMWOOLFDMTAI-FSJBWODESA-N 0 0 617.861 6.518 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409258089 1073247537 /nfs/dbraw/zinc/24/75/37/1073247537.db2.gz TURYVWQNAHOMML-UHFFFAOYSA-N 0 0 603.278 5.815 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409272765 1073253809 /nfs/dbraw/zinc/25/38/09/1073253809.db2.gz GZQOHQBIFCHLEE-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272578 1073254245 /nfs/dbraw/zinc/25/42/45/1073254245.db2.gz NGFXOFVAGZZBOH-FMCGGJTJSA-N 0 0 571.380 5.995 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409272422 1073255396 /nfs/dbraw/zinc/25/53/96/1073255396.db2.gz GQWIXEYEXGEMIN-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409272257 1073257295 /nfs/dbraw/zinc/25/72/95/1073257295.db2.gz PKIWFAGDTOJTTN-AFUMVMLFSA-N 0 0 640.512 6.627 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409272074 1073257362 /nfs/dbraw/zinc/25/73/62/1073257362.db2.gz LJOQWKFOIOOHKP-LSHDLFTRSA-N 0 0 584.950 5.632 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409271739 1073261906 /nfs/dbraw/zinc/26/19/06/1073261906.db2.gz WLMUTBIVWPRDCS-FBHDLOMBSA-N 0 0 748.271 7.448 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1C ZINC000409271187 1073264422 /nfs/dbraw/zinc/26/44/22/1073264422.db2.gz JTFCLTPBQQYQOD-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409270823 1073266767 /nfs/dbraw/zinc/26/67/67/1073266767.db2.gz AYNMNALNMHBQPI-JJFYIABZSA-N 0 0 590.466 6.736 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409270867 1073267240 /nfs/dbraw/zinc/26/72/40/1073267240.db2.gz BEOVSYQADGMJBS-NHDPSOOVSA-N 0 0 550.898 7.309 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270746 1073267563 /nfs/dbraw/zinc/26/75/63/1073267563.db2.gz ABGGHPQTIWSSNE-JVWAILMASA-N 0 0 524.554 6.246 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270669 1073269310 /nfs/dbraw/zinc/26/93/10/1073269310.db2.gz IDTGKIMXCGRBMI-OPEKNORGSA-N 0 0 566.422 6.824 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409270479 1073270106 /nfs/dbraw/zinc/27/01/06/1073270106.db2.gz PYSAVINAKMWDDK-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 ZINC000409270172 1073271423 /nfs/dbraw/zinc/27/14/23/1073271423.db2.gz GHCICHSWMVONIZ-SSDVNMTOSA-N 0 0 539.909 5.868 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409269796 1073274104 /nfs/dbraw/zinc/27/41/04/1073274104.db2.gz DVRNSYKNFULXFB-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F ZINC000409269675 1073276112 /nfs/dbraw/zinc/27/61/12/1073276112.db2.gz LLPUJBOHEGWTKK-YVNNLAQVSA-N 0 0 604.385 5.890 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(I)cc1 ZINC000409267928 1073287434 /nfs/dbraw/zinc/28/74/34/1073287434.db2.gz WZDFCVBPTNMLSU-UKWGHVSLSA-N 0 0 827.167 8.211 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2cccc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276271 1073291036 /nfs/dbraw/zinc/29/10/36/1073291036.db2.gz ZSLCEBSEFLBJAD-YUMHPJSZSA-N 0 0 524.554 6.246 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409275501 1073297952 /nfs/dbraw/zinc/29/79/52/1073297952.db2.gz VHESICMYJKUQDK-DHRITJCHSA-N 0 0 592.586 5.986 40 5 KKBBRN CCc1ccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 ZINC000409275200 1073301067 /nfs/dbraw/zinc/30/10/67/1073301067.db2.gz SMHAMSKNCSDKSL-YSMPRRRNSA-N 0 0 575.599 5.103 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 ZINC000409275247 1073301379 /nfs/dbraw/zinc/30/13/79/1073301379.db2.gz ZTBHMNOHQYAQGF-SSDVNMTOSA-N 0 0 562.909 6.979 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409274917 1073304404 /nfs/dbraw/zinc/30/44/04/1073304404.db2.gz REOSXLKAYHJOGZ-LSHDLFTRSA-N 0 0 591.951 7.043 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409274762 1073305898 /nfs/dbraw/zinc/30/58/98/1073305898.db2.gz XMEPTBKWARSNIV-LHMNITIUSA-N 0 0 638.746 5.089 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409274512 1073309328 /nfs/dbraw/zinc/30/93/28/1073309328.db2.gz OUQFRBAJNXJKIQ-MTJSOVHGSA-N 0 0 504.524 5.074 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409274459 1073310469 /nfs/dbraw/zinc/31/04/69/1073310469.db2.gz DEQKSQPTILUFQJ-IEIVDPGYSA-N 0 0 638.746 5.089 40 5 KKBBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409274148 1073313566 /nfs/dbraw/zinc/31/35/66/1073313566.db2.gz MYLXOQVOMLOKBG-UVHMKAGCSA-N 0 0 546.645 6.381 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409274051 1073314252 /nfs/dbraw/zinc/31/42/52/1073314252.db2.gz UJZHEDIOSCUQKD-KMCFWPMWSA-N 0 0 673.191 5.742 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409273904 1073315767 /nfs/dbraw/zinc/31/57/67/1073315767.db2.gz MWOJDYMFORCQKW-BHGWPJFGSA-N 0 0 573.410 6.408 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409273941 1073316202 /nfs/dbraw/zinc/31/62/02/1073316202.db2.gz AMRDEQJPYFTXFJ-DHRITJCHSA-N 0 0 598.033 5.910 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409273723 1073318225 /nfs/dbraw/zinc/31/82/25/1073318225.db2.gz RSOGNVXTBCOQND-FMCGGJTJSA-N 0 0 505.552 5.763 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409273073 1073320702 /nfs/dbraw/zinc/32/07/02/1073320702.db2.gz PMWRSDSMTKDOMJ-UUYOSTAYSA-N 0 0 539.953 5.753 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000100390607 193912673 /nfs/dbraw/zinc/91/26/73/193912673.db2.gz CPZYFUGIRQGUIO-UHFFFAOYSA-N 0 0 527.920 7.115 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913937 291912401 /nfs/dbraw/zinc/91/24/01/291912401.db2.gz HWWNKOPGLSAYEI-MOTKLJEASA-N 0 0 535.769 9.162 40 5 biogenic,in-vitro KKBBRN O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000000783479 551542412 /nfs/dbraw/zinc/54/24/12/551542412.db2.gz HIPNBJFMASBFEX-MEYXOBLXSA-N 0 0 528.396 6.220 40 5 KKBBRN CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 ZINC000000786275 551542619 /nfs/dbraw/zinc/54/26/19/551542619.db2.gz ABUDXSMYGAAKOY-UHFFFAOYSA-N 0 0 518.599 5.226 40 5 KKBBRN CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001312186 551639959 /nfs/dbraw/zinc/63/99/59/551639959.db2.gz UJAYQEFBUVTSNO-UHFFFAOYSA-N 0 0 521.336 5.149 40 5 KKBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000001316196 551640619 /nfs/dbraw/zinc/64/06/19/551640619.db2.gz KEIOUNZRSOINTR-KCHLEUMXSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C(Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1 ZINC000001702752 551689956 /nfs/dbraw/zinc/68/99/56/551689956.db2.gz YSYMPDMBWXEIGQ-UHFFFAOYSA-N 0 0 542.348 6.045 40 5 KKBBRN Clc1ccc2c(c1)[C@H](Nc1cc3c4ccccc4ccc3c3ccccc13)c1cc(Cl)cc(Cl)c1-2 ZINC000001722529 551690670 /nfs/dbraw/zinc/69/06/70/551690670.db2.gz RGEXGINTPUOQGU-HKBQPEDESA-N 0 0 510.851 10.288 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1C ZINC000001844482 551714447 /nfs/dbraw/zinc/71/44/47/551714447.db2.gz LFQREFJEYOCSHG-UHFFFAOYSA-N 0 0 566.997 7.912 40 5 KKBBRN COc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001860148 551716851 /nfs/dbraw/zinc/71/68/51/551716851.db2.gz UGIKXRVHXPRISE-SANMLTNESA-N 0 0 517.921 6.830 40 5 KKBBRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000002798513 552193184 /nfs/dbraw/zinc/19/31/84/552193184.db2.gz JYQCFWMZVFQMEV-INIZCTEOSA-N 0 0 540.523 6.982 40 5 KKBBRN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000002799328 552193642 /nfs/dbraw/zinc/19/36/42/552193642.db2.gz BVJJWCQLLIUTOS-UHFFFAOYSA-N 0 0 562.476 6.872 40 5 KKBBRN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Sc4ccc(Br)cc4)cc([N+](=O)[O-])c3)nn21 ZINC000003038157 552272233 /nfs/dbraw/zinc/27/22/33/552272233.db2.gz DFMMMLVGKFOVON-UHFFFAOYSA-N 0 0 560.433 6.779 40 5 KKBBRN Nc1ccc(-c2nc3cc4nc(-c5ccc(N)cc5)nc(-c5ccccc5)c4cc3c(-c3ccccc3)n2)cc1 ZINC000003144339 552296644 /nfs/dbraw/zinc/29/66/44/552296644.db2.gz OIJGYSSZIPIYDI-UHFFFAOYSA-N 0 0 516.608 7.405 40 5 KKBBRN O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004974680 552490849 /nfs/dbraw/zinc/49/08/49/552490849.db2.gz VBDBDZHLJKDSSB-QUUJSONZSA-N 0 0 569.610 5.864 40 5 KKBBRN CCOc1c(/C=C\c2cc(/C=C\c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC ZINC000005080559 552493190 /nfs/dbraw/zinc/49/31/90/552493190.db2.gz DPZMSMVRPKNORN-VMNXYWKNSA-N 0 0 520.538 6.658 40 5 KKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc1-2 ZINC000005084559 552493495 /nfs/dbraw/zinc/49/34/95/552493495.db2.gz CVRWRKPAWYEXLU-UHFFFAOYSA-N 0 0 608.653 6.893 40 5 KKBBRN CC=c1c(C)c2cc3nc(c4cc(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@H](CCC(=O)OC)[C@H]3C ZINC000005273583 552496077 /nfs/dbraw/zinc/49/60/77/552496077.db2.gz RYLBYBPLWNFWPG-XMSQKQJNSA-N 0 0 548.687 7.302 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(Cl)c(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Cl)c1Cl ZINC000005329245 552497336 /nfs/dbraw/zinc/49/73/36/552497336.db2.gz HDACGYMGVHSGMO-UHFFFAOYSA-N 0 0 572.188 7.238 40 5 KKBBRN O=[N+]([O-])/C=C/c1cn(CCCCCCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC000005741834 552508412 /nfs/dbraw/zinc/50/84/12/552508412.db2.gz BAZKSHGYXFPJBS-BLVCXSLXSA-N 0 0 542.680 8.692 40 5 KKBBRN CC(=O)Oc1c2c(c(OC(C)=O)c3c1n(C(C)=O)c1ccccc1n3C(C)=O)n(C(C)=O)c1ccccc1n2C(C)=O ZINC000005812247 552510142 /nfs/dbraw/zinc/51/01/42/552510142.db2.gz BLKQWSCKWOPBKU-UHFFFAOYSA-N 0 0 570.558 5.121 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3[nH]c4ccccc4c3[C@@H]3CC[C@@H](C(C)(C)C)C[C@@H]23)C1=O ZINC000005957606 552517466 /nfs/dbraw/zinc/51/74/66/552517466.db2.gz KJUKQSBCDHJAIR-FBYZWUKVSA-N 0 0 501.583 5.918 40 5 KKBBRN CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000006077363 552528443 /nfs/dbraw/zinc/52/84/43/552528443.db2.gz ZZXNKSVBVZESIY-UHFFFAOYSA-N 0 0 578.712 8.862 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000006289382 552578773 /nfs/dbraw/zinc/57/87/73/552578773.db2.gz FBYSVMDJYJPTJM-RGVLZGJSSA-N 0 0 532.361 6.334 40 5 KKBBRN COc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000008792154 553147497 /nfs/dbraw/zinc/14/74/97/553147497.db2.gz RMUGZQQRNZUMRQ-INIZCTEOSA-N 0 0 523.545 5.024 40 5 biogenic KKBBRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833162 553159554 /nfs/dbraw/zinc/15/95/54/553159554.db2.gz ZHJXQFOQRPUIRD-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000008833164 553159782 /nfs/dbraw/zinc/15/97/82/553159782.db2.gz UTQKGHWCXRMLFO-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000008835368 553161938 /nfs/dbraw/zinc/16/19/38/553161938.db2.gz KCCUKYMNQJGEKA-UHFFFAOYSA-N 0 0 512.547 6.407 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000008835328 553161961 /nfs/dbraw/zinc/16/19/61/553161961.db2.gz NWGHCFPDZISUAX-UHFFFAOYSA-N 0 0 504.568 5.970 40 5 KKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1 ZINC000008835439 553162000 /nfs/dbraw/zinc/16/20/00/553162000.db2.gz PQWPVQMIQYOVFM-UHFFFAOYSA-N 0 0 512.547 6.407 40 5 KKBBRN COc1ccc([C@@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)=NN2c2ccccc2)cc1 ZINC000008857209 553168025 /nfs/dbraw/zinc/16/80/25/553168025.db2.gz CVOZSTDJJVKERB-HKBQPEDESA-N 0 0 520.592 6.956 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008898662 553180355 /nfs/dbraw/zinc/18/03/55/553180355.db2.gz XHYQIBARVSIZMP-RMKNXTFCSA-N 0 0 506.773 6.177 40 5 KKBBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000009232571 553223832 /nfs/dbraw/zinc/22/38/32/553223832.db2.gz QDGKSUSUKDLNCZ-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN COc1cccc(C[C@@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2cccc(OC)c2)c1 ZINC000013028246 553437453 /nfs/dbraw/zinc/43/74/53/553437453.db2.gz GGIBDLDAJUNRPT-MHZLTWQESA-N 0 0 521.573 5.745 40 5 KKBBRN O=C(CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013371955 553458782 /nfs/dbraw/zinc/45/87/82/553458782.db2.gz UTAZOWSHVLIIOP-UHFFFAOYSA-N 0 0 506.411 6.530 40 5 KKBBRN COc1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@@H]3c3ccc(F)cc3)n2)cc1OC ZINC000013382163 553459047 /nfs/dbraw/zinc/45/90/47/553459047.db2.gz ABUPOKLQIPLXGG-HSZRJFAPSA-N 0 0 504.543 6.230 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C ZINC000013425489 553459539 /nfs/dbraw/zinc/45/95/39/553459539.db2.gz MEYZMJORQRYCIV-QGZVFWFLSA-N 0 0 516.583 5.070 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274762 553507722 /nfs/dbraw/zinc/50/77/22/553507722.db2.gz BHGCFUMEFCEDRD-UHFFFAOYSA-N 0 0 505.531 5.269 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274745 553507738 /nfs/dbraw/zinc/50/77/38/553507738.db2.gz QBRZFMHCOFIWOX-UHFFFAOYSA-N 0 0 506.428 5.359 40 5 KKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014275368 553508255 /nfs/dbraw/zinc/50/82/55/553508255.db2.gz HDUGDFJOXIYXBB-UHFFFAOYSA-N 0 0 514.588 6.567 40 5 KKBBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014275408 553508419 /nfs/dbraw/zinc/50/84/19/553508419.db2.gz UDPRHDPSPQEJLD-UHFFFAOYSA-N 0 0 500.584 5.174 40 5 KKBBRN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000014275579 553508607 /nfs/dbraw/zinc/50/86/07/553508607.db2.gz FTFFAKIHFVQVPW-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 ZINC000014275720 553508730 /nfs/dbraw/zinc/50/87/30/553508730.db2.gz FDBXRFRYVJKVSH-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000014276173 553509068 /nfs/dbraw/zinc/50/90/68/553509068.db2.gz FFFVWUHTBRZGHG-UHFFFAOYSA-N 0 0 504.524 5.119 40 5 KKBBRN Cc1cc2nc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c(C)c1 ZINC000014277837 553510459 /nfs/dbraw/zinc/51/04/59/553510459.db2.gz CIORYMNHKZBVSG-UHFFFAOYSA-N 0 0 506.946 5.762 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000014278625 553510926 /nfs/dbraw/zinc/51/09/26/553510926.db2.gz BFMAHVXXUMJCEI-UHFFFAOYSA-N 0 0 515.957 6.837 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000014278776 553511072 /nfs/dbraw/zinc/51/10/72/553511072.db2.gz CXEMSBFMXTYXLT-UHFFFAOYSA-N 0 0 502.571 5.234 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000015277138 553530749 /nfs/dbraw/zinc/53/07/49/553530749.db2.gz WWNCXQOCWOCGNO-UHFFFAOYSA-N 0 0 505.424 5.634 40 5 KKBBRN CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000015303984 553530966 /nfs/dbraw/zinc/53/09/66/553530966.db2.gz KEKSGUPQNRPRKP-UHFFFAOYSA-N 0 0 521.495 7.391 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000016400921 553562804 /nfs/dbraw/zinc/56/28/04/553562804.db2.gz HRRZIRKIPWUHKQ-UHFFFAOYSA-N 0 0 508.384 5.225 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 ZINC000016493050 553566677 /nfs/dbraw/zinc/56/66/77/553566677.db2.gz QQSLREHVVWLRAV-UHFFFAOYSA-N 0 0 514.529 5.118 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016610996 553569487 /nfs/dbraw/zinc/56/94/87/553569487.db2.gz OYCHKVVXEADPAK-MRXNPFEDSA-N 0 0 504.568 5.809 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000016611029 553569540 /nfs/dbraw/zinc/56/95/40/553569540.db2.gz XBZNDBBCTSUCDU-MRXNPFEDSA-N 0 0 504.568 5.809 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000016611111 553569711 /nfs/dbraw/zinc/56/97/11/553569711.db2.gz MWMIAUOOJBAPOJ-MRXNPFEDSA-N 0 0 518.595 6.442 40 5 KKBBRN CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@H]2CCCC[C@H]12 ZINC000016682576 553572513 /nfs/dbraw/zinc/57/25/13/553572513.db2.gz YXEFIVSGCPRGED-PXNSSMCTSA-N 0 0 502.976 5.851 40 5 KKBBRN O=c1c2c3c(sc2nc2c4ccccc4c(SC(c4ccccc4)c4ccccc4)nn12)CCCCC3 ZINC000016711646 553574950 /nfs/dbraw/zinc/57/49/50/553574950.db2.gz JJGQIZBGIQAUFB-UHFFFAOYSA-N 0 0 519.695 7.608 40 5 KKBBRN CC(=O)Oc1c(C)c(C)c2ccc3c(OC(C)=O)c(C[C@H](C)OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3c2c1C ZINC000068601676 553592352 /nfs/dbraw/zinc/59/23/52/553592352.db2.gz QNFILAJPGUKMPY-ZDUSSCGKSA-N 0 0 552.576 5.114 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000019856781 553628183 /nfs/dbraw/zinc/62/81/83/553628183.db2.gz MBNIEJKOXXJVDH-UHFFFAOYSA-N 0 0 507.490 5.064 40 5 KKBBRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c(OC)c1 ZINC000070708065 553632010 /nfs/dbraw/zinc/63/20/10/553632010.db2.gz DIGPJOZZTVGSGD-MRXNPFEDSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN CC1=C(C(=O)Nc2cc(F)c(F)cc2F)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1 ZINC000073256683 553652283 /nfs/dbraw/zinc/65/22/83/553652283.db2.gz SBJTZNGUVJEMCI-RUZDIDTESA-N 0 0 590.480 6.543 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000020060834 553672962 /nfs/dbraw/zinc/67/29/62/553672962.db2.gz PBSMCIMIGGURMR-UHFFFAOYSA-N 0 0 507.593 5.421 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000085532089 553682519 /nfs/dbraw/zinc/68/25/19/553682519.db2.gz ABTRFGSPYXCGMR-VXYMLTKGSA-N 0 0 552.887 11.743 40 5 biogenic,in-vitro KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000021124221 553707500 /nfs/dbraw/zinc/70/75/00/553707500.db2.gz WYTKUUXHUJJOBH-IROCBMIISA-N 0 0 516.985 5.262 40 5 KKBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 ZINC000021124700 553707640 /nfs/dbraw/zinc/70/76/40/553707640.db2.gz WGENCRODWCZTNJ-UHFFFAOYSA-N 0 0 524.577 5.632 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1 ZINC000021595537 553714623 /nfs/dbraw/zinc/71/46/23/553714623.db2.gz DEHUIKDZQIHDKO-UHFFFAOYSA-N 0 0 527.625 5.046 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000021595782 553714950 /nfs/dbraw/zinc/71/49/50/553714950.db2.gz FOPWYQYQTNKQHG-UHFFFAOYSA-N 0 0 508.937 6.684 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000096022819 553722782 /nfs/dbraw/zinc/72/27/82/553722782.db2.gz VPRGRGQLRLNGBU-GWJVZLEGSA-N 0 0 540.834 7.992 40 5 KKBBRN Cc1ccc([C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022429785 553739901 /nfs/dbraw/zinc/73/99/01/553739901.db2.gz SISXPAGVGRJEMA-NDEPHWFRSA-N 0 0 515.591 5.004 40 5 KKBBRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429781 553739922 /nfs/dbraw/zinc/73/99/22/553739922.db2.gz HSWXCCFJBITEKP-MUUNZHRXSA-N 0 0 515.591 5.004 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)cc1 ZINC000022825681 553752795 /nfs/dbraw/zinc/75/27/95/553752795.db2.gz RHQLFQIYSPYPSN-UHFFFAOYSA-N 0 0 502.571 5.234 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000022826683 553753050 /nfs/dbraw/zinc/75/30/50/553753050.db2.gz CJRPHDRUWZKYHJ-UHFFFAOYSA-N 0 0 503.338 5.934 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000022828149 553753841 /nfs/dbraw/zinc/75/38/41/553753841.db2.gz BHMGYPDPGJBFOU-MRXNPFEDSA-N 0 0 504.568 5.809 40 5 KKBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000022828900 553754050 /nfs/dbraw/zinc/75/40/50/553754050.db2.gz UYAADQFKFZMZRS-WLRTZDKTSA-N 0 0 504.974 5.171 40 5 KKBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 ZINC000022833833 553756248 /nfs/dbraw/zinc/75/62/48/553756248.db2.gz LBAFXCJABZIHGK-UHFFFAOYSA-N 0 0 509.569 5.330 40 5 KKBBRN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000022839646 553758329 /nfs/dbraw/zinc/75/83/29/553758329.db2.gz JJFABCRVYNJBFQ-UHFFFAOYSA-N 0 0 515.353 5.243 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022843314 553759581 /nfs/dbraw/zinc/75/95/81/553759581.db2.gz FVWBQQPKQONKIA-UHFFFAOYSA-N 0 0 518.599 5.115 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022847472 553760728 /nfs/dbraw/zinc/76/07/28/553760728.db2.gz SZEFCDUTLLBOFN-UHFFFAOYSA-N 0 0 523.018 5.760 40 5 KKBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000024522497 553790860 /nfs/dbraw/zinc/79/08/60/553790860.db2.gz MDFAGFSWQBOYFQ-SXOMAYOGSA-N 0 0 502.567 6.438 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@@H](c5ccc(Cl)cc5)N6)nc34)c21 ZINC000097948660 553795809 /nfs/dbraw/zinc/79/58/09/553795809.db2.gz TYEULRFKICCMPX-XJKSGUPXSA-N 0 0 590.969 7.310 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000097955298 553831022 /nfs/dbraw/zinc/83/10/22/553831022.db2.gz VOSIDTGGCYSXFF-HBMCJLEFSA-N 0 0 518.740 5.606 40 5 KKBBRN CCCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209325 553838740 /nfs/dbraw/zinc/83/87/40/553838740.db2.gz AXWJIFXPBMAEGT-UHFFFAOYSA-N 0 0 509.609 5.976 40 5 KKBBRN O=C1OC(c2ccccc2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 ZINC000032109534 553863199 /nfs/dbraw/zinc/86/31/99/553863199.db2.gz BIERZDXCSZFLIE-RCCKNPSSSA-N 0 0 509.312 5.160 40 5 KKBBRN O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032111926 553863589 /nfs/dbraw/zinc/86/35/89/553863589.db2.gz FCGIVZWIGUJPCJ-UHFFFAOYSA-N 0 0 508.317 6.881 40 5 KKBBRN O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032114507 553863831 /nfs/dbraw/zinc/86/38/31/553863831.db2.gz VLEJCNHXJDBNLT-UHFFFAOYSA-N 0 0 508.317 6.881 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000032114770 553864158 /nfs/dbraw/zinc/86/41/58/553864158.db2.gz KYTMRAHKOAZDOL-UHFFFAOYSA-N 0 0 502.886 5.770 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124714 553866014 /nfs/dbraw/zinc/86/60/14/553866014.db2.gz XUDMBGXWAQCJFP-XKZIYDEJSA-N 0 0 507.549 6.199 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125023 553866142 /nfs/dbraw/zinc/86/61/42/553866142.db2.gz GWNGYDPTUWDGBT-UCQKPKSFSA-N 0 0 519.604 6.038 40 5 KKBBRN O=C(C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000033355112 553933225 /nfs/dbraw/zinc/93/32/25/553933225.db2.gz QFFRUDKBZNZJIJ-RCTKZWLUSA-N 0 0 554.646 8.304 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1-c1nc2ccccc2s1 ZINC000033551861 553962282 /nfs/dbraw/zinc/96/22/82/553962282.db2.gz UIXJZEDQPLFFOD-UHFFFAOYSA-N 0 0 514.588 6.567 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000097980165 553985872 /nfs/dbraw/zinc/98/58/72/553985872.db2.gz RVJNPKVPCKOEAF-GWJVZLEGSA-N 0 0 540.834 7.992 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000097980167 553985907 /nfs/dbraw/zinc/98/59/07/553985907.db2.gz RVJNPKVPCKOEAF-BKIZBIRHSA-N 0 0 540.834 7.992 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)sc2c1 ZINC000035176459 554040739 /nfs/dbraw/zinc/04/07/39/554040739.db2.gz WSZMKBURMBPUCJ-UHFFFAOYSA-N 0 0 514.588 6.567 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000098000309 554050297 /nfs/dbraw/zinc/05/02/97/554050297.db2.gz XFILOKFZRPTWTH-DSPMFFIESA-N 0 0 623.662 6.412 40 5 KKBBRN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000098043899 554128918 /nfs/dbraw/zinc/12/89/18/554128918.db2.gz LIKGQASPYMHUMB-BUEDCBANSA-N 0 0 513.675 8.362 40 5 KKBBRN COc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC ZINC000036611280 554225697 /nfs/dbraw/zinc/22/56/97/554225697.db2.gz VAOOTTGJAJJEKC-UHFFFAOYSA-N 0 0 509.946 5.861 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100239248 554260057 /nfs/dbraw/zinc/26/00/57/554260057.db2.gz AVGYFSCQMANWHE-INXMUBLWSA-N 0 0 543.620 5.146 40 5 KKBBRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000038163572 554273664 /nfs/dbraw/zinc/27/36/64/554273664.db2.gz HSCJQPUWKWBULL-UHFFFAOYSA-N 0 0 500.492 5.495 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000100298572 554289717 /nfs/dbraw/zinc/28/97/17/554289717.db2.gz IQXBLWNUPGLVAE-UHFFFAOYSA-N 0 0 568.998 7.596 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000100300426 554290799 /nfs/dbraw/zinc/29/07/99/554290799.db2.gz LMVRNBYAQLFSBQ-UHFFFAOYSA-N 0 0 532.912 5.860 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000100300882 554291045 /nfs/dbraw/zinc/29/10/45/554291045.db2.gz XCTXGLGXRWFDQZ-QPJJXVBHSA-N 0 0 514.897 5.861 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802982 554303562 /nfs/dbraw/zinc/30/35/62/554303562.db2.gz YKYXHVKQCJJSIB-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 ZINC000100320102 554304493 /nfs/dbraw/zinc/30/44/93/554304493.db2.gz MYIGRIDPDSGBJN-CQSZACIVSA-N 0 0 553.438 6.806 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100340898 554325128 /nfs/dbraw/zinc/32/51/28/554325128.db2.gz KEQJAIPXDZHCLF-YDZHTSKRSA-N 0 0 587.423 6.711 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000100341713 554326302 /nfs/dbraw/zinc/32/63/02/554326302.db2.gz BCONVUBGCYTHBA-SSDVNMTOSA-N 0 0 577.815 6.965 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000100343777 554329322 /nfs/dbraw/zinc/32/93/22/554329322.db2.gz GXLLJYWAMQCMRG-MTJSOVHGSA-N 0 0 517.415 7.289 40 5 KKBBRN O=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000100354337 554333561 /nfs/dbraw/zinc/33/35/61/554333561.db2.gz ZSPUBQOPSIFQLK-UHFFFAOYSA-N 0 0 600.540 8.154 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000100357970 554338501 /nfs/dbraw/zinc/33/85/01/554338501.db2.gz FDYATNYHGYGVJP-UHFFFAOYSA-N 0 0 598.578 6.676 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000100361090 554344483 /nfs/dbraw/zinc/34/44/83/554344483.db2.gz QBSOQIHJQVRHQS-UHFFFAOYSA-N 0 0 564.133 6.022 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1[N+](=O)[O-] ZINC000057313553 554353965 /nfs/dbraw/zinc/35/39/65/554353965.db2.gz CLUVDJYVIAKLEO-UHFFFAOYSA-N 0 0 521.020 5.127 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368768 554354796 /nfs/dbraw/zinc/35/47/96/554354796.db2.gz MQTPSDFJBMNKTO-JAIQZWGSSA-N 0 0 559.547 6.147 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c1)C2=O ZINC000100390727 554366481 /nfs/dbraw/zinc/36/64/81/554366481.db2.gz PUDXAVIBKADSCB-UHFFFAOYSA-N 0 0 593.979 7.055 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000100390266 554366542 /nfs/dbraw/zinc/36/65/42/554366542.db2.gz RTNVAJNLXMVGNA-UHFFFAOYSA-N 0 0 527.920 7.115 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000100396158 554369932 /nfs/dbraw/zinc/36/99/32/554369932.db2.gz JIYDYMUJLWNIJV-JPNDCQDCSA-N 0 0 575.577 5.385 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000059247853 554386866 /nfs/dbraw/zinc/38/68/66/554386866.db2.gz QIGWQGLNMBWAEV-GBIJUZDQSA-N 0 0 612.063 5.757 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)o2)cc1Cl ZINC000059331393 554388295 /nfs/dbraw/zinc/38/82/95/554388295.db2.gz BWERTUNHZKECNK-UHFFFAOYSA-N 0 0 519.410 5.307 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331428 554388660 /nfs/dbraw/zinc/38/86/60/554388660.db2.gz FJGNNYZUCLKONH-UHFFFAOYSA-N 0 0 517.636 5.989 40 5 KKBBRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000059331589 554389755 /nfs/dbraw/zinc/38/97/55/554389755.db2.gz KQZCZIRWIISNFN-UHFFFAOYSA-N 0 0 517.567 5.139 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000059331632 554390015 /nfs/dbraw/zinc/39/00/15/554390015.db2.gz ZEZDOMUWBVDFQY-UHFFFAOYSA-N 0 0 523.018 5.760 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059331878 554391947 /nfs/dbraw/zinc/39/19/47/554391947.db2.gz CKRRFYHJTUNQLD-UHFFFAOYSA-N 0 0 519.005 6.177 40 5 KKBBRN COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463627 554396595 /nfs/dbraw/zinc/39/65/95/554396595.db2.gz MLPVZAKZFKMJOJ-UHFFFAOYSA-N 0 0 510.369 6.409 40 5 KKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(Cc4cccc5ccccc54)n3Cc3ccccc3)c[nH]c2c1 ZINC000059474753 554396789 /nfs/dbraw/zinc/39/67/89/554396789.db2.gz YQKRPZBLENHSLF-UHFFFAOYSA-N 0 0 505.603 6.752 40 5 KKBBRN Cc1cc(SCC(=O)NC(NC(=O)CSc2cc(C)c3ccccc3n2)c2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000100913077 554518561 /nfs/dbraw/zinc/51/85/61/554518561.db2.gz PWRPHHCTVIWKMR-UHFFFAOYSA-N 0 0 597.722 6.124 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(Br)c1OC(=O)CC ZINC000100935882 554529533 /nfs/dbraw/zinc/52/95/33/554529533.db2.gz FZNRYLMPPFQBIR-PXNMLYILSA-N 0 0 523.723 5.069 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000100949629 554536942 /nfs/dbraw/zinc/53/69/42/554536942.db2.gz CUSPOXFMPRSRHW-CBYYHRJHSA-N 0 0 540.439 6.098 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)cc([N+](=O)[O-])c1C ZINC000100954382 554538599 /nfs/dbraw/zinc/53/85/99/554538599.db2.gz VWXRDJZFOBWBRX-SJXDCSIJSA-N 0 0 608.651 5.798 40 5 KKBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OC(=O)c3ccccc3)cc2)C1=O ZINC000101111131 554641631 /nfs/dbraw/zinc/64/16/31/554641631.db2.gz WUEIGWUXFIVMAO-FCEKVYKBSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccc2ccccc2c1 ZINC000101113513 554642350 /nfs/dbraw/zinc/64/23/50/554642350.db2.gz WEYAEDVRPLAJQN-SDHSZQHLSA-N 0 0 534.355 6.106 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)c1 ZINC000101230415 554689402 /nfs/dbraw/zinc/68/94/02/554689402.db2.gz CQFLJMVKBNAOQD-UHFFFAOYSA-N 0 0 608.642 8.124 40 5 KKBBRN Cc1cc(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)ccc1Cl ZINC000101230411 554689511 /nfs/dbraw/zinc/68/95/11/554689511.db2.gz TWNOKLOYPAGWPU-UHFFFAOYSA-N 0 0 601.006 7.654 40 5 KKBBRN O=c1c2c(csc2NC(=S)Nc2ccccc2)c(-c2nnc(Nc3ccccc3)s2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000101461366 554778457 /nfs/dbraw/zinc/77/84/57/554778457.db2.gz NJZUTUKZABYGFG-UHFFFAOYSA-N 0 0 598.695 6.426 40 5 KKBBRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000101653622 554817762 /nfs/dbraw/zinc/81/77/62/554817762.db2.gz DJFRLTIBIXFZCP-UHFFFAOYSA-N 0 0 585.457 6.522 40 5 biogenic,in-vitro KKBBRN Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc3c2cccc3[N+](=O)[O-])cc1 ZINC000101655126 554819273 /nfs/dbraw/zinc/81/92/73/554819273.db2.gz NGSAMGFLOYSJQP-HSZRJFAPSA-N 0 0 565.651 6.421 40 5 KKBBRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 ZINC000101658598 554820272 /nfs/dbraw/zinc/82/02/72/554820272.db2.gz PCQXEBBJYXVMPZ-UHFFFAOYSA-N 0 0 592.517 8.823 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000101673361 554826988 /nfs/dbraw/zinc/82/69/88/554826988.db2.gz DUUSPZHFETZJQF-MZKUHISZSA-N 0 0 612.433 5.302 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000102449194 554930993 /nfs/dbraw/zinc/93/09/93/554930993.db2.gz XSUMLPOZXOCJPB-PKTNWEFCSA-N 0 0 555.612 6.163 40 5 KKBBRN Cc1nc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])c(N[C@H](C)c5ccccc5)c4)CC3)ccc2s1 ZINC000102457378 554934759 /nfs/dbraw/zinc/93/47/59/554934759.db2.gz YDLVCCOAJUWQPM-GOSISDBHSA-N 0 0 537.667 5.197 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(OCc4ccccc4)cc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102562013 554968322 /nfs/dbraw/zinc/96/83/22/554968322.db2.gz ICIAMULZLRCHHA-PKTNWEFCSA-N 0 0 555.974 5.878 40 5 KKBBRN CC[C@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@@H]5CC)c3[N+](=O)[O-])ccc21 ZINC000102586157 554973212 /nfs/dbraw/zinc/97/32/12/554973212.db2.gz RDCIJEUVXNEORQ-GOTSBHOMSA-N 0 0 539.639 8.917 40 5 KKBBRN CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000102629009 554988709 /nfs/dbraw/zinc/98/87/09/554988709.db2.gz CEZSPIYKYRQANT-UHFFFAOYSA-N 0 0 542.953 5.515 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102747792 555041664 /nfs/dbraw/zinc/04/16/64/555041664.db2.gz HYBUQLUCDVUQJM-GVAUOCQISA-N 0 0 515.909 5.559 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000102754672 555046787 /nfs/dbraw/zinc/04/67/87/555046787.db2.gz WVLGEHNEHBKCGS-SDHSZQHLSA-N 0 0 550.354 6.213 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000102805281 555073037 /nfs/dbraw/zinc/07/30/37/555073037.db2.gz HCSFRBRVRMVEBY-PPNKNWNOSA-N 0 0 652.916 10.668 40 5 KKBBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000102805277 555073065 /nfs/dbraw/zinc/07/30/65/555073065.db2.gz HCSFRBRVRMVEBY-LHUZUAFYSA-N 0 0 652.916 10.668 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000102859616 555089969 /nfs/dbraw/zinc/08/99/69/555089969.db2.gz MTYNENLYGAFTQZ-AYQJTBPPSA-N 0 0 623.618 5.663 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102894973 555133542 /nfs/dbraw/zinc/13/35/42/555133542.db2.gz BWYFQTHFDLOHJB-AYQJTBPPSA-N 0 0 585.572 6.018 40 5 KKBBRN CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102936603 555164253 /nfs/dbraw/zinc/16/42/53/555164253.db2.gz OQNSSUDHRTWNRK-LMRJGUGTSA-N 0 0 532.582 5.429 40 5 KKBBRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000102942275 555170498 /nfs/dbraw/zinc/17/04/98/555170498.db2.gz WHEJTLXYTPCBRZ-ZKFFPQSXSA-N 0 0 554.861 8.238 40 5 KKBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000103117297 555288847 /nfs/dbraw/zinc/28/88/47/555288847.db2.gz OKFBKUZRCISHQN-DFFOYSGESA-N 0 0 537.403 5.887 40 5 KKBBRN O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103529370 555429994 /nfs/dbraw/zinc/42/99/94/555429994.db2.gz FKWLUXZNSYSCKD-PBNWVGGGSA-N 0 0 576.008 6.230 40 5 KKBBRN O=C(Nc1ccc2[nH]c(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103532911 555433349 /nfs/dbraw/zinc/43/33/49/555433349.db2.gz HYCUFFFKDTVHMF-UHFFFAOYSA-N 0 0 538.476 5.257 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000103541649 555438659 /nfs/dbraw/zinc/43/86/59/555438659.db2.gz KUEKYYDBCBGJPW-NAQGONTDSA-N 0 0 561.619 5.903 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000103541638 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600.587 5.749 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103549896 555443155 /nfs/dbraw/zinc/44/31/55/555443155.db2.gz ZJYJLYAGGWEYIV-WLDYPGBFSA-N 0 0 569.617 6.149 40 5 KKBBRN COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103553042 555444822 /nfs/dbraw/zinc/44/48/22/555444822.db2.gz KHCVIOANXKIKGD-HPNWTYDNSA-N 0 0 571.589 5.460 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103554609 555445468 /nfs/dbraw/zinc/44/54/68/555445468.db2.gz ZMPULFICGYXEER-MKYOLNSUSA-N 0 0 556.578 5.236 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103554601 555445493 /nfs/dbraw/zinc/44/54/93/555445493.db2.gz ZMPULFICGYXEER-HKFRAXQBSA-N 0 0 556.578 5.236 40 5 KKBBRN 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555474603 /nfs/dbraw/zinc/47/46/03/555474603.db2.gz SRXJXVLJZXJQNU-UHFFFAOYSA-N 0 0 534.796 7.096 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccccc2)nc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])c1ccc(Br)cc1 ZINC000103770261 555474695 /nfs/dbraw/zinc/47/46/95/555474695.db2.gz LPDZKWXOHCMRFB-UHFFFAOYSA-N 0 0 536.294 5.520 40 5 KKBBRN O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1cccc(I)c1 ZINC000103771849 555475538 /nfs/dbraw/zinc/47/55/38/555475538.db2.gz XRRUKOPJGLVHQX-UHFFFAOYSA-N 0 0 576.437 8.579 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789870 555479621 /nfs/dbraw/zinc/47/96/21/555479621.db2.gz HICUMSVNAGKJPC-QQMBNGEASA-N 0 0 627.719 5.418 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000103790733 555480369 /nfs/dbraw/zinc/48/03/69/555480369.db2.gz LGIIUPUVDIILQP-MIUGUJGPSA-N 0 0 565.676 6.165 40 5 KKBBRN 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COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222550069 571370235 /nfs/dbraw/zinc/37/02/35/571370235.db2.gz HXNSLLJNYXYNQD-GDLZYMKVSA-N 0 0 575.662 5.080 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000103933845 571370257 /nfs/dbraw/zinc/37/02/57/571370257.db2.gz OUSQTBGMORHWRY-ITGKQZKFSA-N 0 0 585.616 5.626 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000104086856 571373275 /nfs/dbraw/zinc/37/32/75/571373275.db2.gz TZCNHUJNGGEFCH-UHFFFAOYSA-N 0 0 578.069 5.462 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000104086875 571373350 /nfs/dbraw/zinc/37/33/50/571373350.db2.gz BRZIZDPLPZOYQW-NTCAYCPXSA-N 0 0 587.032 6.131 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000104098631 571373729 /nfs/dbraw/zinc/37/37/29/571373729.db2.gz 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571377206 /nfs/dbraw/zinc/37/72/06/571377206.db2.gz RKCCVTCMFJPWNM-UHFFFAOYSA-N 0 0 556.825 7.848 40 5 KKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000104221731 571377211 /nfs/dbraw/zinc/37/72/11/571377211.db2.gz JDJGPIDRJNGLIS-UHFFFAOYSA-N 0 0 535.398 6.580 40 5 KKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3)oc2c(Br)c1 ZINC000104221885 571377221 /nfs/dbraw/zinc/37/72/21/571377221.db2.gz ZZRKAMPXDCZSLT-UHFFFAOYSA-N 0 0 546.377 7.549 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222623514 571377632 /nfs/dbraw/zinc/37/76/32/571377632.db2.gz RSUCPJDXZZXOLA-SANMLTNESA-N 0 0 554.043 5.048 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222632585 571378341 /nfs/dbraw/zinc/37/83/41/571378341.db2.gz HOTNRSPKQOGPRU-RUZDIDTESA-N 0 0 649.141 5.232 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000104382436 571379866 /nfs/dbraw/zinc/37/98/66/571379866.db2.gz RDBXYWIMIJEHLY-AGYDLCDTSA-N 0 0 568.221 5.313 40 5 KKBBRN C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000104579275 571381561 /nfs/dbraw/zinc/38/15/61/571381561.db2.gz HDGWPRHMQYVSON-IBGZPJMESA-N 0 0 520.546 5.171 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222669793 571382209 /nfs/dbraw/zinc/38/22/09/571382209.db2.gz KJQHOXHQCDODJR-PMERELPUSA-N 0 0 744.064 5.909 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654712 571383427 /nfs/dbraw/zinc/38/34/27/571383427.db2.gz STQXRQIQPKSYAC-UNDLXJOSSA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654716 571383449 /nfs/dbraw/zinc/38/34/49/571383449.db2.gz STQXRQIQPKSYAC-JLKMOJGBSA-N 0 0 561.619 5.496 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656022 571383884 /nfs/dbraw/zinc/38/38/84/571383884.db2.gz XMIFRCKGZUGQEN-HRIDGTDGSA-N 0 0 610.489 6.249 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656913 571384099 /nfs/dbraw/zinc/38/40/99/571384099.db2.gz YKZJEQBBRDKXMK-NBQDTTAVSA-N 0 0 591.645 5.504 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656828 571384109 /nfs/dbraw/zinc/38/41/09/571384109.db2.gz SHDYPYGHLUANKK-PYCBVSLESA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656818 571384120 /nfs/dbraw/zinc/38/41/20/571384120.db2.gz ZBECEYCGUBLEKQ-NBQDTTAVSA-N 0 0 575.646 5.804 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5c6ccccc6cc6ccccc65)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657521 571384336 /nfs/dbraw/zinc/38/43/36/571384336.db2.gz URBGNRKGHXFLOT-MDYVMDJYSA-N 0 0 550.683 6.634 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000104659042 571384768 /nfs/dbraw/zinc/38/47/68/571384768.db2.gz IWHWYDWQIHJZEI-NNAGEYCMSA-N 0 0 531.593 5.487 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] ZINC000104659031 571384783 /nfs/dbraw/zinc/38/47/83/571384783.db2.gz UCWJKDBRXOVOJP-PYCBVSLESA-N 0 0 545.620 5.795 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104659529 571384843 /nfs/dbraw/zinc/38/48/43/571384843.db2.gz HDNOUUQZJIQCPE-XNMXCUJWSA-N 0 0 601.684 5.815 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000104676513 571385081 /nfs/dbraw/zinc/38/50/81/571385081.db2.gz UJLRDJSMZPXEBD-LAUBZIAYSA-N 0 0 585.682 5.870 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000104676632 571385106 /nfs/dbraw/zinc/38/51/06/571385106.db2.gz RBNYXFMHEYBQMC-JLKMOJGBSA-N 0 0 599.709 6.179 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000104677325 571385424 /nfs/dbraw/zinc/38/54/24/571385424.db2.gz XSYBQCXPORJQIH-YWEMJKAQSA-N 0 0 574.746 7.008 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000104708712 571385633 /nfs/dbraw/zinc/38/56/33/571385633.db2.gz SKZIGEZZUFAMJA-UHFFFAOYSA-N 0 0 578.112 5.119 40 5 KKBBRN C[C@@H](NC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000104813180 571386343 /nfs/dbraw/zinc/38/63/43/571386343.db2.gz CIJSUHKMJIWFLJ-OYZYGDNFSA-N 0 0 547.051 8.168 40 5 KKBBRN Cc1ccc(NC(=O)Nc2ccc(Cc3ccc(NC(=O)Nc4ccc(C)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000104813753 571386447 /nfs/dbraw/zinc/38/64/47/571386447.db2.gz OFOUSWQLNOUIAV-UHFFFAOYSA-N 0 0 554.563 6.999 40 5 KKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000104911579 571387421 /nfs/dbraw/zinc/38/74/21/571387421.db2.gz WRKBIPGOVUSPIJ-UHFFFAOYSA-N 0 0 556.875 5.288 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222720500 571388978 /nfs/dbraw/zinc/38/89/78/571388978.db2.gz SXITYDUILWSPDV-YTTGMZPUSA-N 0 0 646.741 5.342 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cc(Cl)ccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000105222807 571392195 /nfs/dbraw/zinc/39/21/95/571392195.db2.gz RZGOWKJESYSZFM-UHFFFAOYSA-N 0 0 525.392 7.198 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(c5c(F)c(F)c(F)c(F)c5F)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000105302970 571392695 /nfs/dbraw/zinc/39/26/95/571392695.db2.gz HRKJGKCMWCTUJS-UHFFFAOYSA-N 0 0 624.010 6.759 40 5 KKBBRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000105303547 571392784 /nfs/dbraw/zinc/39/27/84/571392784.db2.gz IJDUAEISWWWTDR-JXMROGBWSA-N 0 0 531.421 5.398 40 5 KKBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000105303561 571392808 /nfs/dbraw/zinc/39/28/08/571392808.db2.gz MTVDWUKUOZGISB-UHFFFAOYSA-N 0 0 563.861 5.009 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000105303717 571392828 /nfs/dbraw/zinc/39/28/28/571392828.db2.gz UHCSJHGOFHAYGL-UHFFFAOYSA-N 0 0 559.692 5.001 40 5 KKBBRN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1 ZINC000105304592 571393233 /nfs/dbraw/zinc/39/32/33/571393233.db2.gz YYTCNIUVUUJUPJ-UHFFFAOYSA-N 0 0 561.019 7.567 40 5 KKBBRN Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000105304622 571393257 /nfs/dbraw/zinc/39/32/57/571393257.db2.gz JIWRFGOHTJXBLX-UHFFFAOYSA-N 0 0 532.969 5.677 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl ZINC000105304567 571393289 /nfs/dbraw/zinc/39/32/89/571393289.db2.gz YRSKTFFPDBRGNT-UHFFFAOYSA-N 0 0 562.995 5.686 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305722 571393744 /nfs/dbraw/zinc/39/37/44/571393744.db2.gz UDDWITJYDVVHEJ-UHFFFAOYSA-N 0 0 552.081 6.642 40 5 KKBBRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306044 571393863 /nfs/dbraw/zinc/39/38/63/571393863.db2.gz XEADVVFXTREMFD-UHFFFAOYSA-N 0 0 557.676 6.952 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305998 571393880 /nfs/dbraw/zinc/39/38/80/571393880.db2.gz XIYXAXJQOPSWFE-UHFFFAOYSA-N 0 0 572.474 6.271 40 5 KKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305956 571393919 /nfs/dbraw/zinc/39/39/19/571393919.db2.gz IBPLKXSECPVCFL-UHFFFAOYSA-N 0 0 550.044 5.408 40 5 KKBBRN Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306189 571393992 /nfs/dbraw/zinc/39/39/92/571393992.db2.gz KQHNMZWLTYGYMU-UHFFFAOYSA-N 0 0 550.044 5.408 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306683 571394248 /nfs/dbraw/zinc/39/42/48/571394248.db2.gz APMISFOCKAZPLL-UHFFFAOYSA-N 0 0 616.881 5.782 40 5 KKBBRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105307958 571394802 /nfs/dbraw/zinc/39/48/02/571394802.db2.gz KSEBPNZHQZMPDD-UHFFFAOYSA-N 0 0 543.653 5.398 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105307851 571394865 /nfs/dbraw/zinc/39/48/65/571394865.db2.gz LZPRKTADFRGQGU-UHFFFAOYSA-N 0 0 556.431 6.437 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222774174 571395737 /nfs/dbraw/zinc/39/57/37/571395737.db2.gz AMKGIVLGHVMARN-HHHXNRCGSA-N 0 0 665.596 5.746 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O ZINC000105310739 571396323 /nfs/dbraw/zinc/39/63/23/571396323.db2.gz RXVIRFLYYJCVDP-UHFFFAOYSA-N 0 0 547.662 6.003 40 5 KKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000105312362 571397235 /nfs/dbraw/zinc/39/72/35/571397235.db2.gz FOKCQYUCRLGFEM-UHFFFAOYSA-N 0 0 552.012 5.328 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105313661 571397978 /nfs/dbraw/zinc/39/79/78/571397978.db2.gz RFVIBMZBVVZPGL-UHFFFAOYSA-N 0 0 571.707 6.097 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222791914 571398173 /nfs/dbraw/zinc/39/81/73/571398173.db2.gz NGDTVEICLSRZOH-DEOSSOPVSA-N 0 0 546.476 5.521 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)c(C)c1 ZINC000105314052 571398233 /nfs/dbraw/zinc/39/82/33/571398233.db2.gz NRERHCUEMDZNNL-UHFFFAOYSA-N 0 0 531.642 5.227 40 5 KKBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000105314594 571398617 /nfs/dbraw/zinc/39/86/17/571398617.db2.gz MOASCCBAKQDBJH-UHFFFAOYSA-N 0 0 537.617 5.217 40 5 KKBBRN O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105314714 571398619 /nfs/dbraw/zinc/39/86/19/571398619.db2.gz URNFPODAXNQXSS-UHFFFAOYSA-N 0 0 578.354 5.335 40 5 KKBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000105315158 571398903 /nfs/dbraw/zinc/39/89/03/571398903.db2.gz LIXMQVLFNABTKQ-UHFFFAOYSA-N 0 0 543.605 5.710 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000105315397 571399029 /nfs/dbraw/zinc/39/90/29/571399029.db2.gz RCYVSWGNAUZHNO-UHFFFAOYSA-N 0 0 528.590 5.404 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222800648 571399514 /nfs/dbraw/zinc/39/95/14/571399514.db2.gz GMWZRKCXJOMQFS-NRFANRHFSA-N 0 0 631.151 5.093 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000105316826 571399754 /nfs/dbraw/zinc/39/97/54/571399754.db2.gz CKRPMKPUNFQFHI-UHFFFAOYSA-N 0 0 556.044 5.084 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222803769 571399903 /nfs/dbraw/zinc/39/99/03/571399903.db2.gz QJOJUJSTKMAASI-FQEVSTJZSA-N 0 0 665.596 5.746 40 5 KKBBRN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000105318983 571401218 /nfs/dbraw/zinc/40/12/18/571401218.db2.gz LODWSJQMRIKHJL-UHFFFAOYSA-N 0 0 529.424 6.114 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222815404 571401534 /nfs/dbraw/zinc/40/15/34/571401534.db2.gz FHWBBWQQJIEQAC-SSEXGKCCSA-N 0 0 734.058 6.453 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105320496 571402130 /nfs/dbraw/zinc/40/21/30/571402130.db2.gz XLUMODAGJBIJEB-UHFFFAOYSA-N 0 0 541.789 6.671 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105321058 571402418 /nfs/dbraw/zinc/40/24/18/571402418.db2.gz CKHMFKQLQUNKRH-UHFFFAOYSA-N 0 0 535.004 5.414 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105322845 571403160 /nfs/dbraw/zinc/40/31/60/571403160.db2.gz GEZJBDLAPREUMR-UHFFFAOYSA-N 0 0 595.956 6.123 40 5 KKBBRN C[C@H]1C[C@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000105513259 571406935 /nfs/dbraw/zinc/40/69/35/571406935.db2.gz RWJJXSVSKATMDR-CHJDUVSTSA-N 0 0 564.598 6.188 40 5 KKBBRN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000105513159 571406937 /nfs/dbraw/zinc/40/69/37/571406937.db2.gz GIMMHEHIBBOZOZ-UHFFFAOYSA-N 0 0 519.094 8.186 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222873248 571408310 /nfs/dbraw/zinc/40/83/10/571408310.db2.gz UWKQCAZBPQSVNR-MHZLTWQESA-N 0 0 588.557 6.547 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1C ZINC000105761868 571408343 /nfs/dbraw/zinc/40/83/43/571408343.db2.gz QQRYTIAMERLFLY-UHFFFAOYSA-N 0 0 547.681 5.299 40 5 KKBBRN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)ccc1OCc1cccc(Cl)c1 ZINC000105912919 571409283 /nfs/dbraw/zinc/40/92/83/571409283.db2.gz SRBGMCBGEUXJBO-WPFOTENUSA-N 0 0 610.069 5.381 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222883850 571409466 /nfs/dbraw/zinc/40/94/66/571409466.db2.gz ZLJXANPWJHJATI-FQEVSTJZSA-N 0 0 649.141 5.232 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222892254 571410290 /nfs/dbraw/zinc/41/02/90/571410290.db2.gz BDIPBEQXBOOJRL-MHZLTWQESA-N 0 0 665.596 5.089 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000106185681 571411478 /nfs/dbraw/zinc/41/14/78/571411478.db2.gz BJQAGCVBUILZKU-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222904783 571411595 /nfs/dbraw/zinc/41/15/95/571411595.db2.gz UGTPMFKXKKPFKH-AREMUKBSSA-N 0 0 588.488 5.701 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106379028 571412214 /nfs/dbraw/zinc/41/22/14/571412214.db2.gz SLTWSKSUSBGEEI-UHFFFAOYSA-N 0 0 568.833 5.162 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222914773 571412554 /nfs/dbraw/zinc/41/25/54/571412554.db2.gz WADXJRZNIRRKMJ-SANMLTNESA-N 0 0 542.463 5.856 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000106452870 571412608 /nfs/dbraw/zinc/41/26/08/571412608.db2.gz VAVXZUQBBRJJHV-KEPJHFNWSA-N 0 0 601.681 5.371 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222920900 571413219 /nfs/dbraw/zinc/41/32/19/571413219.db2.gz FEVVNRKJVKOTGY-FQEVSTJZSA-N 0 0 665.596 5.746 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000106659883 571413306 /nfs/dbraw/zinc/41/33/06/571413306.db2.gz KLWRYCVFGPOHOU-RGDUZTMSSA-N 0 0 595.633 5.128 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000106683310 571413551 /nfs/dbraw/zinc/41/35/51/571413551.db2.gz AGNNBIJOKIEBFB-MTJSOVHGSA-N 0 0 517.415 7.289 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106685274 571413673 /nfs/dbraw/zinc/41/36/73/571413673.db2.gz FHODLRMWKOJKCF-KSEXSDGBSA-N 0 0 589.851 6.835 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222927864 571413969 /nfs/dbraw/zinc/41/39/69/571413969.db2.gz FHZJIZDYLORARC-UMSFTDKQSA-N 0 0 741.694 6.826 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106700536 571414482 /nfs/dbraw/zinc/41/44/82/571414482.db2.gz QYPIKKLUFDUBSG-YVNNLAQVSA-N 0 0 579.439 6.214 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106701534 571414541 /nfs/dbraw/zinc/41/45/41/571414541.db2.gz CONXVXJVTQTFBC-RMORIDSASA-N 0 0 609.465 6.223 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000106702247 571414613 /nfs/dbraw/zinc/41/46/13/571414613.db2.gz WAIKKUINHRMZIO-OYKKKHCWSA-N 0 0 518.547 5.758 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106722364 571415885 /nfs/dbraw/zinc/41/58/85/571415885.db2.gz CVRGZEKNSYTAIA-CFRMEGHHSA-N 0 0 503.967 6.488 40 5 KKBBRN Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000106727150 571416476 /nfs/dbraw/zinc/41/64/76/571416476.db2.gz DIEPSNRBBXTOPC-QFEZKATASA-N 0 0 517.994 6.796 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222953323 571416752 /nfs/dbraw/zinc/41/67/52/571416752.db2.gz SZPDATBJVFNJIM-HHHXNRCGSA-N 0 0 588.557 6.547 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000106739085 571417083 /nfs/dbraw/zinc/41/70/83/571417083.db2.gz UFWXPUUSYULKJI-QRVIBDJDSA-N 0 0 587.423 6.711 40 5 KKBBRN Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000106739288 571417099 /nfs/dbraw/zinc/41/70/99/571417099.db2.gz UOLRBCVWWGOZCR-ZMFRSBBQSA-N 0 0 570.583 5.462 40 5 KKBBRN O=C(Oc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1)c1ccccc1I ZINC000106740661 571417268 /nfs/dbraw/zinc/41/72/68/571417268.db2.gz YSRGPOHVBOLUSU-BKUYFWCQSA-N 0 0 586.363 5.655 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccn1 ZINC000106741043 571417275 /nfs/dbraw/zinc/41/72/75/571417275.db2.gz SXXHZLVARVSABF-MTJSOVHGSA-N 0 0 603.394 5.419 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000106743276 571417342 /nfs/dbraw/zinc/41/73/42/571417342.db2.gz WVTCYBYVTYIMDK-UUYOSTAYSA-N 0 0 569.389 5.822 40 5 KKBBRN CC(C)(C)c1ccc(OCCOc2cc(Br)ccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106745425 571417420 /nfs/dbraw/zinc/41/74/20/571417420.db2.gz DQSYCNYQOFIONB-QQXSKIMKSA-N 0 0 611.514 7.349 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106745798 571417462 /nfs/dbraw/zinc/41/74/62/571417462.db2.gz ZUXONMNNYWZMRO-JJFYIABZSA-N 0 0 552.477 5.449 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 ZINC000106751496 571417559 /nfs/dbraw/zinc/41/75/59/571417559.db2.gz CDMLJMFXCGYJHD-MTJSOVHGSA-N 0 0 608.866 7.241 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222987286 571419524 /nfs/dbraw/zinc/41/95/24/571419524.db2.gz SHBAOMJBSLJBAF-HNNXBMFYSA-N 0 0 512.459 5.467 40 5 KKBBRN O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000107600216 571420404 /nfs/dbraw/zinc/42/04/04/571420404.db2.gz KEELLCRJJBAHDZ-UHFFFAOYSA-N 0 0 524.293 5.599 40 5 KKBBRN Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000107932880 571421648 /nfs/dbraw/zinc/42/16/48/571421648.db2.gz CWSRSPWKNFTNIU-UHFFFAOYSA-N 0 0 503.584 5.411 40 5 KKBBRN Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000108044837 571422154 /nfs/dbraw/zinc/42/21/54/571422154.db2.gz HEGUCPMVNYIVFX-UHFFFAOYSA-N 0 0 517.611 5.719 40 5 KKBBRN O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000108528125 571426114 /nfs/dbraw/zinc/42/61/14/571426114.db2.gz CHULNMCOYUYFBL-UHFFFAOYSA-N 0 0 570.439 7.139 40 5 KKBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223059746 571426943 /nfs/dbraw/zinc/42/69/43/571426943.db2.gz DAOOUHSSLSBREM-LJQANCHMSA-N 0 0 681.993 5.076 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=O)CN(c4ccccc4)S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1 ZINC000108888855 571427466 /nfs/dbraw/zinc/42/74/66/571427466.db2.gz QOVKSFSRLSHSPA-UHFFFAOYSA-N 0 0 558.641 6.014 40 5 KKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000109029527 571428184 /nfs/dbraw/zinc/42/81/84/571428184.db2.gz HLULDJRTPAEREZ-UHFFFAOYSA-N 0 0 503.942 6.264 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000109058226 571428306 /nfs/dbraw/zinc/42/83/06/571428306.db2.gz JOYMIQDNZZDRMV-UHFFFAOYSA-N 0 0 573.380 6.017 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000111465375 571432422 /nfs/dbraw/zinc/43/24/22/571432422.db2.gz LPSVDJHVFZFZFM-POKSHJSXSA-N 0 0 605.672 5.721 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000111465629 571432520 /nfs/dbraw/zinc/43/25/20/571432520.db2.gz HVDFKCHSFANVBU-CLNXTWJPSA-N 0 0 591.645 5.412 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000111465670 571432530 /nfs/dbraw/zinc/43/25/30/571432530.db2.gz RMJFDIQGCHBGAD-CLNXTWJPSA-N 0 0 607.644 5.112 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c1 ZINC000111468255 571432610 /nfs/dbraw/zinc/43/26/10/571432610.db2.gz VSXINYNVAKLALF-LAUBZIAYSA-N 0 0 592.633 5.051 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000111467973 571432640 /nfs/dbraw/zinc/43/26/40/571432640.db2.gz ITNREWGYTBQIQO-ZGOFBEGVSA-N 0 0 598.662 5.112 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000111469642 571432845 /nfs/dbraw/zinc/43/28/45/571432845.db2.gz GMXAGAZFMPLKPR-OINPTKSXSA-N 0 0 609.635 5.551 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000111470272 571433049 /nfs/dbraw/zinc/43/30/49/571433049.db2.gz GNZMTEOTQCYRLG-LLXISZFLSA-N 0 0 619.699 6.227 40 5 KKBBRN C=c1c(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc(=Nc2ccccc2)n1Cc1ccc(C(C)=O)cc1 ZINC000111504672 571433475 /nfs/dbraw/zinc/43/34/75/571433475.db2.gz FYOGEZLWHKRILI-RKKGEIBUSA-N 0 0 600.494 6.529 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112230182 571434025 /nfs/dbraw/zinc/43/40/25/571434025.db2.gz VGRCMIODWHIPQP-UHFFFAOYSA-N 0 0 523.343 5.254 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231737 571434238 /nfs/dbraw/zinc/43/42/38/571434238.db2.gz OUBLTVIAIVYUQR-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)o2)cc1Cl ZINC000112240255 571435073 /nfs/dbraw/zinc/43/50/73/571435073.db2.gz KMWHAJKRDYXJPY-UHFFFAOYSA-N 0 0 552.962 5.672 40 5 KKBBRN O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000112241799 571435166 /nfs/dbraw/zinc/43/51/66/571435166.db2.gz GSBSCTONNFJYQG-RMKNXTFCSA-N 0 0 599.418 6.417 40 5 KKBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000112242306 571435249 /nfs/dbraw/zinc/43/52/49/571435249.db2.gz KVUOLHUHCKBSGK-UHFFFAOYSA-N 0 0 597.413 5.375 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000112242877 571435372 /nfs/dbraw/zinc/43/53/72/571435372.db2.gz DXWJXJLNJKLLRR-SFHVURJKSA-N 0 0 559.648 5.880 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000112247544 571436386 /nfs/dbraw/zinc/43/63/86/571436386.db2.gz FEJBTYOTYRZBGK-UHFFFAOYSA-N 0 0 537.981 5.875 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000119031879 571448150 /nfs/dbraw/zinc/44/81/50/571448150.db2.gz FGAOHUMBQGSZQZ-GMWGBDKBSA-N 0 0 596.765 8.281 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000123231873 571448276 /nfs/dbraw/zinc/44/82/76/571448276.db2.gz FGAOHUMBQGSZQZ-RIELVZHMSA-N 0 0 596.765 8.281 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000123233376 571448288 /nfs/dbraw/zinc/44/82/88/571448288.db2.gz KZIYWQYTGHYKMG-AOQDIDSQSA-N 0 0 551.768 8.373 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223248461 571450391 /nfs/dbraw/zinc/45/03/91/571450391.db2.gz CIEQEBKJZQVRFX-SANMLTNESA-N 0 0 659.205 5.791 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000138512248 571451327 /nfs/dbraw/zinc/45/13/27/571451327.db2.gz YDYNACMSMMTQDK-UHFFFAOYSA-N 0 0 563.607 5.984 40 5 KKBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000139098026 571452963 /nfs/dbraw/zinc/45/29/63/571452963.db2.gz OCZWSHRCQVSNIK-UHFFFAOYSA-N 0 0 511.918 5.331 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000139819776 571453976 /nfs/dbraw/zinc/45/39/76/571453976.db2.gz GQISYSQKHSFODZ-NRFANRHFSA-N 0 0 586.099 5.358 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223327068 571461044 /nfs/dbraw/zinc/46/10/44/571461044.db2.gz XQSRSIOWOVRHBY-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000150353220 571462705 /nfs/dbraw/zinc/46/27/05/571462705.db2.gz YWWYYPITDJESIH-JLNIMSJUSA-N 0 0 637.091 7.437 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223341866 571463132 /nfs/dbraw/zinc/46/31/32/571463132.db2.gz HMFVBTAYRXFZSZ-HKBQPEDESA-N 0 0 713.640 6.190 40 5 KKBBRN O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000150357755 571463368 /nfs/dbraw/zinc/46/33/68/571463368.db2.gz OXJKAFGWKZRURN-UHFFFAOYSA-N 0 0 660.740 7.602 40 5 KKBBRN COc1cc(CC(Cc2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c(OC)c1OC ZINC000150373924 571466226 /nfs/dbraw/zinc/46/62/26/571466226.db2.gz GUDRPAPPNAPLGB-UHFFFAOYSA-N 0 0 666.677 5.010 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223382787 571468855 /nfs/dbraw/zinc/46/88/55/571468855.db2.gz NHPJVZXDPVIXEG-ZORMNXRFSA-N 0 0 642.778 5.653 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150385636 571468951 /nfs/dbraw/zinc/46/89/51/571468951.db2.gz RTKIDHOTPMEWRO-FOKLQQMPSA-N 0 0 685.323 7.720 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223383468 571468967 /nfs/dbraw/zinc/46/89/67/571468967.db2.gz LTYLRRISWBPPPC-VWLOTQADSA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223398162 571471404 /nfs/dbraw/zinc/47/14/04/571471404.db2.gz UPKNRKUIYOPUEA-QRRWFCJLSA-N 0 0 721.276 6.624 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150391791 571474050 /nfs/dbraw/zinc/47/40/50/571474050.db2.gz BASHMEGAGAMVNC-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c1 ZINC000150392841 571474624 /nfs/dbraw/zinc/47/46/24/571474624.db2.gz PMXXEFFVZPTVJQ-ISZRBDKASA-N 0 0 632.698 5.370 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)c1 ZINC000150393269 571474921 /nfs/dbraw/zinc/47/49/21/571474921.db2.gz AFWZADWGXQXQAK-USDTVRPUSA-N 0 0 671.529 5.813 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223428575 571475171 /nfs/dbraw/zinc/47/51/71/571475171.db2.gz PWNWRXFESVIQFJ-RUZDIDTESA-N 0 0 663.168 5.622 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150394686 571475691 /nfs/dbraw/zinc/47/56/91/571475691.db2.gz MJVAXSQFHLJMMC-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223432473 571475742 /nfs/dbraw/zinc/47/57/42/571475742.db2.gz BISPNZVHQGFHKM-HKBQPEDESA-N 0 0 697.185 5.676 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150395038 571475727 /nfs/dbraw/zinc/47/57/27/571475727.db2.gz HQXIBISDJKRDNN-WGJPBTIMSA-N 0 0 654.144 6.881 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150394894 571475772 /nfs/dbraw/zinc/47/57/72/571475772.db2.gz TXZQOVWBQAYGKA-JOHYPREOSA-N 0 0 633.726 6.536 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000150395241 571475845 /nfs/dbraw/zinc/47/58/45/571475845.db2.gz DZWUYITYWPZULE-KUSDHMTMSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150395649 571476018 /nfs/dbraw/zinc/47/60/18/571476018.db2.gz RGDHKXMCXLQUNJ-KMCFWPMWSA-N 0 0 667.696 5.130 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395634 571476048 /nfs/dbraw/zinc/47/60/48/571476048.db2.gz YWCPYEMIIVNICE-WGJPBTIMSA-N 0 0 667.696 5.130 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395651 571476063 /nfs/dbraw/zinc/47/60/63/571476063.db2.gz RGDHKXMCXLQUNJ-WGJPBTIMSA-N 0 0 667.696 5.130 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150396101 571476286 /nfs/dbraw/zinc/47/62/86/571476286.db2.gz JKMIWLWRAPTBFL-XNENXQGPSA-N 0 0 663.777 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150396273 571476343 /nfs/dbraw/zinc/47/63/43/571476343.db2.gz APJFQHUKEBCWJX-QZVQSRICSA-N 0 0 633.726 6.536 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000150396174 571476362 /nfs/dbraw/zinc/47/63/62/571476362.db2.gz SHRCDDZLKPBULG-UHFFFAOYSA-N 0 0 671.048 5.234 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150396358 571476513 /nfs/dbraw/zinc/47/65/13/571476513.db2.gz ZCNGZTLLSSVYSE-JBVGNYNVSA-N 0 0 647.753 6.844 40 5 KKBBRN O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000150397486 571476959 /nfs/dbraw/zinc/47/69/59/571476959.db2.gz WKCLJOYUAHBGEI-UHFFFAOYSA-N 0 0 682.645 9.385 40 5 KKBBRN Nc1c(=O)c(Br)c2oc3c(Br)ccc(C(=O)NCCc4ccccc4)c3nc-2c1C(=O)NCCc1ccccc1 ZINC000150402118 571478356 /nfs/dbraw/zinc/47/83/56/571478356.db2.gz PFSSZXXSOAMFTR-UHFFFAOYSA-N 0 0 664.354 5.345 40 5 KKBBRN O=C(Nc1ccc(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(Cl)c2)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150412798 571484469 /nfs/dbraw/zinc/48/44/69/571484469.db2.gz YJQWYXSXFYPQCL-UHFFFAOYSA-N 0 0 655.363 6.722 40 5 KKBBRN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(Oc2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000150413170 571484619 /nfs/dbraw/zinc/48/46/19/571484619.db2.gz APWNDKJKPJUKSD-UHFFFAOYSA-N 0 0 650.559 7.203 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223490075 571485880 /nfs/dbraw/zinc/48/58/80/571485880.db2.gz CTYBCVXPLUEHNF-FNZWTVRRSA-N 0 0 508.018 5.346 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224159813 571488187 /nfs/dbraw/zinc/48/81/87/571488187.db2.gz QKTXUOWYHRVHHH-SANMLTNESA-N 0 0 519.667 5.383 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223507336 571489061 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223544898 571498801 /nfs/dbraw/zinc/49/88/01/571498801.db2.gz KASWPTPXGXFBDJ-JIPXPUAJSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224221089 571500002 /nfs/dbraw/zinc/50/00/02/571500002.db2.gz RCAFLPMAHYLVLX-MUUNZHRXSA-N 0 0 671.216 5.935 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224232252 571502559 /nfs/dbraw/zinc/50/25/59/571502559.db2.gz OTGLLJDNDQNDNI-YTTGMZPUSA-N 0 0 642.778 5.653 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224241898 571504693 /nfs/dbraw/zinc/50/46/93/571504693.db2.gz HXEWNRYQTPBPEC-XIFFEERXSA-N 0 0 721.276 6.624 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000150463330 571506971 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7.348 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163296743 571535082 /nfs/dbraw/zinc/53/50/82/571535082.db2.gz AEOJUFAPDAKBSO-IVQFASICSA-N 0 0 711.550 6.699 40 5 KKBBRN O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163303331 571535084 /nfs/dbraw/zinc/53/50/84/571535084.db2.gz GWUFUYKARZWOOT-YCBDPUBJSA-N 0 0 682.805 8.352 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224384571 571535130 /nfs/dbraw/zinc/53/51/30/571535130.db2.gz ILTSIRUDCGJZIJ-RUZDIDTESA-N 0 0 554.043 5.190 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223737752 571535737 /nfs/dbraw/zinc/53/57/37/571535737.db2.gz POMRJJOQGDFXGX-QFIPXVFZSA-N 0 0 643.162 5.237 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000163466747 571535846 /nfs/dbraw/zinc/53/58/46/571535846.db2.gz WUAAEFJHPPKOJI-IMUCPKNRSA-N 0 0 877.539 7.398 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000163468989 571536024 /nfs/dbraw/zinc/53/60/24/571536024.db2.gz YZXFJEAETYREDI-IMMOAUGXSA-N 0 0 689.790 6.983 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224393796 571536774 /nfs/dbraw/zinc/53/67/74/571536774.db2.gz AYCAXUVSKRLZKU-FQEVSTJZSA-N 0 0 621.543 5.286 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224396906 571537300 /nfs/dbraw/zinc/53/73/00/571537300.db2.gz VEZRBMXGOCIELL-WJOKGBTCSA-N 0 0 646.741 5.484 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163625336 571538155 /nfs/dbraw/zinc/53/81/55/571538155.db2.gz AIOICQLTCWOGFC-RWTNITNYSA-N 0 0 740.913 6.383 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224402518 571538555 /nfs/dbraw/zinc/53/85/55/571538555.db2.gz APIPRPVDDXECJU-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163685187 571540173 /nfs/dbraw/zinc/54/01/73/571540173.db2.gz WOSPHTJXBWHUHM-HGGMLFSRSA-N 0 0 701.204 7.485 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163700774 571540722 /nfs/dbraw/zinc/54/07/22/571540722.db2.gz KHQSGKYURCFXRL-PNZYDNNZSA-N 0 0 640.537 5.451 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223768704 571541151 /nfs/dbraw/zinc/54/11/51/571541151.db2.gz PXARRCGUHFNCTM-KDYSTLNUSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163709646 571541247 /nfs/dbraw/zinc/54/12/47/571541247.db2.gz VKYVFZOFCOFQBH-VPHSIRQSSA-N 0 0 631.732 5.016 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224416832 571541760 /nfs/dbraw/zinc/54/17/60/571541760.db2.gz YYXTVXATIHCNSB-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163742873 571542538 /nfs/dbraw/zinc/54/25/38/571542538.db2.gz DFZZXJDZGWXKBB-VKSQQWFDSA-N 0 0 696.694 5.577 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000163751937 571542682 /nfs/dbraw/zinc/54/26/82/571542682.db2.gz BVHXDHKSHYDBMR-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O ZINC000163765853 571542913 /nfs/dbraw/zinc/54/29/13/571542913.db2.gz UFXDKIBFSFWXOI-JBDHCHCMSA-N 0 0 646.519 5.313 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163768472 571543092 /nfs/dbraw/zinc/54/30/92/571543092.db2.gz VZOPJNSBMYISHR-GSTVVXAASA-N 0 0 651.722 5.003 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000163777471 571543319 /nfs/dbraw/zinc/54/33/19/571543319.db2.gz RBAUOUUOIVFCFE-UAMLYEQYSA-N 0 0 733.609 6.481 40 5 KKBBRN C[C@@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936443 571543731 /nfs/dbraw/zinc/54/37/31/571543731.db2.gz AVMMTHFOWFBPDJ-WXTAPIANSA-N 0 0 717.612 10.066 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000164010387 571544123 /nfs/dbraw/zinc/54/41/23/571544123.db2.gz QZZAGAPRMGWSEJ-CJCCVFIKSA-N 0 0 946.352 6.274 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000164186554 571544593 /nfs/dbraw/zinc/54/45/93/571544593.db2.gz VYPBAKSCKUTBKY-TZUCAZQYSA-N 0 0 674.688 5.204 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223791140 571544690 /nfs/dbraw/zinc/54/46/90/571544690.db2.gz YSOAHIYFRFLSPF-INJOXJOKSA-N 0 0 786.145 7.078 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164200534 571544979 /nfs/dbraw/zinc/54/49/79/571544979.db2.gz XOHSAJAMDOOTGJ-QQMBNGEASA-N 0 0 722.614 5.845 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000164201281 571545010 /nfs/dbraw/zinc/54/50/10/571545010.db2.gz GQRLFQYNZKLXIA-TZUCAZQYSA-N 0 0 801.510 6.608 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224445049 571547549 /nfs/dbraw/zinc/54/75/49/571547549.db2.gz DVKUWYJWYJPXHX-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164524526 571549308 /nfs/dbraw/zinc/54/93/08/571549308.db2.gz LOVZBKQKAYLADF-KUSDHMTMSA-N 0 0 775.475 6.948 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000164566459 571549997 /nfs/dbraw/zinc/54/99/97/571549997.db2.gz DXJFPWVXRIDUPS-NGPGRIRTSA-N 0 0 704.805 6.385 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2s1 ZINC000164652074 571550220 /nfs/dbraw/zinc/55/02/20/571550220.db2.gz YYSAXXAGYVORDJ-UHFFFAOYSA-N 0 0 639.806 6.423 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000164755038 571550993 /nfs/dbraw/zinc/55/09/93/571550993.db2.gz SGQVWXGBXVHTID-GEYGMGCISA-N 0 0 636.129 6.468 40 5 KKBBRN COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164810131 571551284 /nfs/dbraw/zinc/55/12/84/571551284.db2.gz SWLVATJEYJWLMZ-UHFFFAOYSA-N 0 0 677.495 5.803 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223813029 571552542 /nfs/dbraw/zinc/55/25/42/571552542.db2.gz INWFDFGXPIGRBW-FNZWTVRRSA-N 0 0 598.494 5.300 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223815825 571553753 /nfs/dbraw/zinc/55/37/53/571553753.db2.gz ZZXORKOLHAXEGL-NFQMXDRXSA-N 0 0 588.557 6.690 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223816143 571553941 /nfs/dbraw/zinc/55/39/41/571553941.db2.gz JSPIXBDORVHTAE-SIBVEZHUSA-N 0 0 542.463 5.999 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223817355 571554468 /nfs/dbraw/zinc/55/44/68/571554468.db2.gz VKPHAQOMNVUKDL-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224481227 571556218 /nfs/dbraw/zinc/55/62/18/571556218.db2.gz GTSPDUURNKHOID-MHZLTWQESA-N 0 0 635.570 5.142 40 5 KKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223837269 571559134 /nfs/dbraw/zinc/55/91/34/571559134.db2.gz QJHQGXXDTXDTCN-FTJBHMTQSA-N 0 0 516.579 5.834 40 5 KKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223837383 571559216 /nfs/dbraw/zinc/55/92/16/571559216.db2.gz QJHQGXXDTXDTCN-CLJLJLNGSA-N 0 0 516.579 5.834 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223845203 571560445 /nfs/dbraw/zinc/56/04/45/571560445.db2.gz MSGRBJYQWIHIGV-QFIPXVFZSA-N 0 0 643.162 5.237 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224498289 571560679 /nfs/dbraw/zinc/56/06/79/571560679.db2.gz RDWSFDCKTBMNKX-DEOSSOPVSA-N 0 0 686.014 6.011 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000198312636 571567236 /nfs/dbraw/zinc/56/72/36/571567236.db2.gz VQAZHWXLBKSLFU-UHFFFAOYSA-N 0 0 634.614 5.248 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205661089 571569572 /nfs/dbraw/zinc/56/95/72/571569572.db2.gz CFYFEVFFHJFNEX-FOKLQQMPSA-N 0 0 573.942 6.723 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000205671772 571569724 /nfs/dbraw/zinc/56/97/24/571569724.db2.gz BSJIDFBLXZGOQX-RQZCQDPDSA-N 0 0 600.241 5.298 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205687726 571569844 /nfs/dbraw/zinc/56/98/44/571569844.db2.gz LBZZJXDLDCDIGG-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000205699674 571570225 /nfs/dbraw/zinc/57/02/25/571570225.db2.gz UVFUCICATCAZOS-FOKLQQMPSA-N 0 0 685.323 7.720 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205750712 571570678 /nfs/dbraw/zinc/57/06/78/571570678.db2.gz QBKMGWWEDBKJPH-RGVLZGJSSA-N 0 0 546.342 6.004 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205754633 571570739 /nfs/dbraw/zinc/57/07/39/571570739.db2.gz VNFCUYLXTKXITA-RGVLZGJSSA-N 0 0 562.341 5.705 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205796361 571571313 /nfs/dbraw/zinc/57/13/13/571571313.db2.gz UQMFSAFPAWLIQJ-LPYMAVHISA-N 0 0 579.553 5.853 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224548593 571571961 /nfs/dbraw/zinc/57/19/61/571571961.db2.gz MDAHKBDIKVLFDS-MUUNZHRXSA-N 0 0 687.215 5.635 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205872702 571572015 /nfs/dbraw/zinc/57/20/15/571572015.db2.gz XZHMGMXQCZPPTE-CIAFOILYSA-N 0 0 565.526 5.463 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223908603 571572855 /nfs/dbraw/zinc/57/28/55/571572855.db2.gz GPOOEQBSWVGLBW-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223909934 571573176 /nfs/dbraw/zinc/57/31/76/571573176.db2.gz SQPSSZBAGOIXDW-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224555706 571573496 /nfs/dbraw/zinc/57/34/96/571573496.db2.gz XHYVTMJAFREKIA-JGCGQSQUSA-N 0 0 762.112 7.234 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208360817 571574017 /nfs/dbraw/zinc/57/40/17/571574017.db2.gz IPJCPBKYMNNWHX-YLKQWKBVSA-N 0 0 625.659 5.137 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208360720 571574039 /nfs/dbraw/zinc/57/40/39/571574039.db2.gz ZTBLFMSNEGPBIG-YLKQWKBVSA-N 0 0 625.659 5.137 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208360546 571574042 /nfs/dbraw/zinc/57/40/42/571574042.db2.gz TVJDFFMAJCXSOF-YLKQWKBVSA-N 0 0 609.660 5.437 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224560151 571574583 /nfs/dbraw/zinc/57/45/83/571574583.db2.gz QRNSLGWPGBQYRV-MHZLTWQESA-N 0 0 635.570 5.142 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223918954 571575292 /nfs/dbraw/zinc/57/52/92/571575292.db2.gz WUUATCTZMJDCCG-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=Cc1cc(Br)ccc1F)NC(=O)c1ccccc1 ZINC000211437476 571576320 /nfs/dbraw/zinc/57/63/20/571576320.db2.gz ZJMFBGQZPLVKJD-FZLFTDMCSA-N 0 0 689.519 6.330 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223924031 571576414 /nfs/dbraw/zinc/57/64/14/571576414.db2.gz OZFLBBUZFRICBC-AREMUKBSSA-N 0 0 714.068 6.791 40 5 KKBBRN COc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)ccc1Br ZINC000211442936 571576560 /nfs/dbraw/zinc/57/65/60/571576560.db2.gz IVZFXLPEQIKWJN-MIUGUJGPSA-N 0 0 701.555 6.200 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214063440 571577159 /nfs/dbraw/zinc/57/71/59/571577159.db2.gz IGENEKAAACQIHI-YDZHTSKRSA-N 0 0 650.878 7.067 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl ZINC000214065871 571577453 /nfs/dbraw/zinc/57/74/53/571577453.db2.gz ILNQQMHSBKSFRM-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214181711 571577852 /nfs/dbraw/zinc/57/78/52/571577852.db2.gz AQESHTFVGHMBPF-FSJBWODESA-N 0 0 510.955 6.072 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214178688 571577860 /nfs/dbraw/zinc/57/78/60/571577860.db2.gz RKCHXTJQBDKUDM-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214166378 571577877 /nfs/dbraw/zinc/57/78/77/571577877.db2.gz PEDVMEVHOBCWTA-SSDVNMTOSA-N 0 0 564.925 7.304 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214361826 571578772 /nfs/dbraw/zinc/57/87/72/571578772.db2.gz DVXVLYMLIFKHFQ-YDZHTSKRSA-N 0 0 587.423 6.711 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214391826 571578840 /nfs/dbraw/zinc/57/88/40/571578840.db2.gz SOQDMWRHHXFOMW-ZVBGSRNCSA-N 0 0 546.344 6.839 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000214413584 571579023 /nfs/dbraw/zinc/57/90/23/571579023.db2.gz MHJHOIVGAZLDKW-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214421268 571579082 /nfs/dbraw/zinc/57/90/82/571579082.db2.gz XCCFYHVAFOFXEM-WYMPLXKRSA-N 0 0 559.427 7.116 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214414423 571579100 /nfs/dbraw/zinc/57/91/00/571579100.db2.gz HIWOBRVMTPKOFR-FOKLQQMPSA-N 0 0 685.323 7.720 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224579524 571579488 /nfs/dbraw/zinc/57/94/88/571579488.db2.gz DYGNXINSOQXEQF-RUZDIDTESA-N 0 0 588.488 5.844 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214661361 571580149 /nfs/dbraw/zinc/58/01/49/571580149.db2.gz IWZOMOWUMJHDLH-YDZHTSKRSA-N 0 0 587.532 6.480 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223942332 571580280 /nfs/dbraw/zinc/58/02/80/571580280.db2.gz NFFGIMGOOSZQTB-INIZCTEOSA-N 0 0 524.470 5.611 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223942390 571580291 /nfs/dbraw/zinc/58/02/91/571580291.db2.gz NFFGIMGOOSZQTB-MRXNPFEDSA-N 0 0 524.470 5.611 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214777498 571581007 /nfs/dbraw/zinc/58/10/07/571581007.db2.gz ZMZFWAHGHHFCLU-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214832593 571581437 /nfs/dbraw/zinc/58/14/37/571581437.db2.gz ZELZWMNUXGLMLP-UFFVCSGVSA-N 0 0 503.363 7.015 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223949474 571581618 /nfs/dbraw/zinc/58/16/18/571581618.db2.gz PVRBZTGMIVAMCG-SXOMAYOGSA-N 0 0 527.606 5.264 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214976797 571582255 /nfs/dbraw/zinc/58/22/55/571582255.db2.gz MSPRLVBLMOQROD-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1Cl ZINC000214992328 571582316 /nfs/dbraw/zinc/58/23/16/571582316.db2.gz YUOMZXJWSROLPQ-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215002243 571582346 /nfs/dbraw/zinc/58/23/46/571582346.db2.gz SHQSWSWZXBKFIT-VXLYETTFSA-N 0 0 530.312 5.762 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000214989532 571582427 /nfs/dbraw/zinc/58/24/27/571582427.db2.gz OABAPTBCTYRPGX-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCc1ccc(Cl)cc1 ZINC000215015677 571582479 /nfs/dbraw/zinc/58/24/79/571582479.db2.gz XCEYTWBJTRYDIZ-LPYMAVHISA-N 0 0 510.955 6.072 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000215019141 571582566 /nfs/dbraw/zinc/58/25/66/571582566.db2.gz DFYCDOLPZDGGPW-WSDLNYQXSA-N 0 0 573.396 6.321 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215015627 571582583 /nfs/dbraw/zinc/58/25/83/571582583.db2.gz SAORQVJTPGEMQU-UFFVCSGVSA-N 0 0 624.347 7.313 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000215018706 571582595 /nfs/dbraw/zinc/58/25/95/571582595.db2.gz ALJBWSNGQSDQBF-ZMOGYAJESA-N 0 0 568.007 5.901 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224595306 571582749 /nfs/dbraw/zinc/58/27/49/571582749.db2.gz XXPJSNHHHWFWBE-MGBGTMOVSA-N 0 0 723.248 5.935 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223955950 571583211 /nfs/dbraw/zinc/58/32/11/571583211.db2.gz KTLWPSKWGWBWFF-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215135250 571583289 /nfs/dbraw/zinc/58/32/89/571583289.db2.gz MNEKSXVIQUXZLC-FOKLQQMPSA-N 0 0 528.945 6.211 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224598874 571583523 /nfs/dbraw/zinc/58/35/23/571583523.db2.gz LGONQGRZZUTQEC-SANMLTNESA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967669 571585391 /nfs/dbraw/zinc/58/53/91/571585391.db2.gz ZXPOJHPZPWJOEC-DFHRPNOPSA-N 0 0 549.693 5.391 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 ZINC000224647657 571594340 /nfs/dbraw/zinc/59/43/40/571594340.db2.gz PRPJKKLHSRCPSE-URLMMPGGSA-N 0 0 533.613 6.750 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000216525972 571597658 /nfs/dbraw/zinc/59/76/58/571597658.db2.gz HEWBBSJGIZTFDT-UHFFFAOYSA-N 0 0 580.062 6.278 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224055581 571603090 /nfs/dbraw/zinc/60/30/90/571603090.db2.gz WKDDARYJAQJGTL-MHZLTWQESA-N 0 0 659.205 5.527 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224688772 571604676 /nfs/dbraw/zinc/60/46/76/571604676.db2.gz ITHJATLAWXYSTG-VWLOTQADSA-N 0 0 636.771 5.282 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224691266 571605342 /nfs/dbraw/zinc/60/53/42/571605342.db2.gz CUVCIYSROWAZRZ-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224065805 571605378 /nfs/dbraw/zinc/60/53/78/571605378.db2.gz UNZGAGUMLIMTJJ-FTJBHMTQSA-N 0 0 550.040 5.636 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224066076 571605459 /nfs/dbraw/zinc/60/54/59/571605459.db2.gz ZHEBUOOAKWTQIO-IZZNHLLZSA-N 0 0 550.040 5.636 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224709188 571607669 /nfs/dbraw/zinc/60/76/69/571607669.db2.gz CJUSPMXBXQRVAM-OAQYLSRUSA-N 0 0 643.560 5.029 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224710073 571607948 /nfs/dbraw/zinc/60/79/48/571607948.db2.gz DWQCRCDMQUBHEO-MHZLTWQESA-N 0 0 601.125 5.023 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224715976 571609133 /nfs/dbraw/zinc/60/91/33/571609133.db2.gz QYKFAGDTVKJBRI-VWLOTQADSA-N 0 0 636.771 5.282 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224715559 571609165 /nfs/dbraw/zinc/60/91/65/571609165.db2.gz VGRSYZFRJSLROX-XZWHSSHBSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224718260 571609697 /nfs/dbraw/zinc/60/96/97/571609697.db2.gz KBQQACKXWMAYAU-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224735425 571612375 /nfs/dbraw/zinc/61/23/75/571612375.db2.gz WYAAFSFDMGKYPG-KRWDZBQOSA-N 0 0 534.476 5.067 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224750321 571613790 /nfs/dbraw/zinc/61/37/90/571613790.db2.gz QTOZHFTZHQIBPD-IHLOFXLRSA-N 0 0 563.639 6.759 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Cl)s3)cc2)cc1 ZINC000224761168 571614669 /nfs/dbraw/zinc/61/46/69/571614669.db2.gz NLPICLHTDTZWOA-GOTSBHOMSA-N 0 0 525.080 7.033 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Br)s3)cc2)cc1 ZINC000224761408 571614698 /nfs/dbraw/zinc/61/46/98/571614698.db2.gz OYYFXWYVFYUIDF-PKTZIBPZSA-N 0 0 569.531 7.142 40 5 KKBBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000224760969 571614704 /nfs/dbraw/zinc/61/47/04/571614704.db2.gz HWRWYWIVDLYUDT-DNQXCXABSA-N 0 0 504.662 6.688 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(Br)cs3)cc2)cc1 ZINC000224761643 571614748 /nfs/dbraw/zinc/61/47/48/571614748.db2.gz UVTDAXJQEUTRPZ-XZOQPEGZSA-N 0 0 569.531 7.142 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 ZINC000224762804 571614844 /nfs/dbraw/zinc/61/48/44/571614844.db2.gz BEGNHHVQWSSHRS-RPBOFIJWSA-N 0 0 501.637 6.263 40 5 KKBBRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I ZINC000224762962 571614872 /nfs/dbraw/zinc/61/48/72/571614872.db2.gz XUNQGYMLSWNCEA-JWQCQUIFSA-N 0 0 627.533 6.868 40 5 KKBBRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224763345 571614911 /nfs/dbraw/zinc/61/49/11/571614911.db2.gz HHNKJTVKXHCIGZ-CLJLJLNGSA-N 0 0 515.664 6.701 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 ZINC000224763816 571614950 /nfs/dbraw/zinc/61/49/50/571614950.db2.gz RIRLOZZJBNJBCO-CONSDPRKSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 ZINC000224764132 571614992 /nfs/dbraw/zinc/61/49/92/571614992.db2.gz MNTKJBWPDVHWEN-SXOMAYOGSA-N 0 0 584.752 7.182 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224765069 571615067 /nfs/dbraw/zinc/61/50/67/571615067.db2.gz TYFBSPOXDYIXFO-QFIPXVFZSA-N 0 0 613.136 5.310 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224765182 571615073 /nfs/dbraw/zinc/61/50/73/571615073.db2.gz AUDBIUFGNFYVEE-QFIPXVFZSA-N 0 0 613.136 5.310 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 ZINC000224765808 571615082 /nfs/dbraw/zinc/61/50/82/571615082.db2.gz OFROSRORVPGRAW-RRPNLBNLSA-N 0 0 568.688 5.639 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000224766337 571615146 /nfs/dbraw/zinc/61/51/46/571615146.db2.gz BLVWHXFJNVJPJI-WDYNHAJCSA-N 0 0 602.116 7.901 40 5 KKBBRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224766619 571615148 /nfs/dbraw/zinc/61/51/48/571615148.db2.gz ZFKAXKTZIKPUMH-KYJUHHDHSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000224766287 571615167 /nfs/dbraw/zinc/61/51/67/571615167.db2.gz BLVWHXFJNVJPJI-VMPREFPWSA-N 0 0 602.116 7.901 40 5 KKBBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C ZINC000224767789 571615230 /nfs/dbraw/zinc/61/52/30/571615230.db2.gz UPQALUGRDCZVHM-DQEYMECFSA-N 0 0 501.637 5.965 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3ccco3)cc2)cc1 ZINC000224768562 571615273 /nfs/dbraw/zinc/61/52/73/571615273.db2.gz BCGLYOXTEJIAFQ-WUFINQPMSA-N 0 0 553.669 6.761 40 5 KKBBRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224768912 571615343 /nfs/dbraw/zinc/61/53/43/571615343.db2.gz SPLJXYOTBKJVDT-FTJBHMTQSA-N 0 0 529.691 6.875 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C ZINC000224769889 571615432 /nfs/dbraw/zinc/61/54/32/571615432.db2.gz LZNQUXJAIYGTPO-IZLXSDGUSA-N 0 0 543.718 7.317 40 5 KKBBRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224770652 571615563 /nfs/dbraw/zinc/61/55/63/571615563.db2.gz RQURTGYTLUYPKQ-VSGBNLITSA-N 0 0 559.717 6.383 40 5 KKBBRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780312 571616383 /nfs/dbraw/zinc/61/63/83/571616383.db2.gz LZFXIOMGQZFGMV-UIOOFZCWSA-N 0 0 515.664 6.701 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000224781534 571616537 /nfs/dbraw/zinc/61/65/37/571616537.db2.gz VDIMWWNZWHYOPU-FQLXRVMXSA-N 0 0 617.678 8.128 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 ZINC000224783096 571616671 /nfs/dbraw/zinc/61/66/71/571616671.db2.gz 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ZINC000224788487 571617208 /nfs/dbraw/zinc/61/72/08/571617208.db2.gz XMZYJTOLFHJGQV-URLMMPGGSA-N 0 0 647.551 8.480 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 ZINC000224788873 571617215 /nfs/dbraw/zinc/61/72/15/571617215.db2.gz CCUFLJUZAFXSKW-URLMMPGGSA-N 0 0 647.551 8.480 40 5 KKBBRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl ZINC000224789657 571617315 /nfs/dbraw/zinc/61/73/15/571617315.db2.gz CCNKZDHHJSLUQV-XZWHSSHBSA-N 0 0 599.137 8.540 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224793048 571617617 /nfs/dbraw/zinc/61/76/17/571617617.db2.gz OLVZJVQJYOBEEB-FQLXRVMXSA-N 0 0 595.662 7.486 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224793450 571617680 /nfs/dbraw/zinc/61/76/80/571617680.db2.gz RADHDMYQMJQTTJ-SANMLTNESA-N 0 0 714.068 6.647 40 5 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ZINC000224878499 571625973 /nfs/dbraw/zinc/62/59/73/571625973.db2.gz ZAVWUGJJLVGHJA-KRWDZBQOSA-N 0 0 538.497 6.001 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224886030 571626723 /nfs/dbraw/zinc/62/67/23/571626723.db2.gz CQEMMOVWHIKNME-LJQANCHMSA-N 0 0 607.516 5.040 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224886481 571626792 /nfs/dbraw/zinc/62/67/92/571626792.db2.gz RLDBAVNWYJKTFX-XIFFEERXSA-N 0 0 693.222 5.925 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224897877 571627920 /nfs/dbraw/zinc/62/79/20/571627920.db2.gz OJALDPZUKIIZCZ-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224918729 571629790 /nfs/dbraw/zinc/62/97/90/571629790.db2.gz CEORXZJTUSMJJV-LJQANCHMSA-N 0 0 607.516 5.040 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224935725 571631665 /nfs/dbraw/zinc/63/16/65/571631665.db2.gz XQOUZHWSNVZBEU-WJOKGBTCSA-N 0 0 632.714 5.094 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000224940627 571632173 /nfs/dbraw/zinc/63/21/73/571632173.db2.gz GXMVBUMRFXOGSZ-BJKOFHAPSA-N 0 0 535.423 6.498 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000224946441 571632706 /nfs/dbraw/zinc/63/27/06/571632706.db2.gz IQATZVLTRRTJLY-RPWUZVMVSA-N 0 0 535.423 6.498 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224952439 571633294 /nfs/dbraw/zinc/63/32/94/571633294.db2.gz XEOFKMXCCBXXQM-UMSFTDKQSA-N 0 0 737.250 6.599 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224967676 571634824 /nfs/dbraw/zinc/63/48/24/571634824.db2.gz GXVBNHROKUKZJR-RPWUZVMVSA-N 0 0 505.987 5.620 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224969432 571634969 /nfs/dbraw/zinc/63/49/69/571634969.db2.gz OAUACFVJPNHCLG-XIFFEERXSA-N 0 0 658.752 5.628 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224988684 571636767 /nfs/dbraw/zinc/63/67/67/571636767.db2.gz INUPGMNXNLAJQR-WJOKGBTCSA-N 0 0 693.620 5.717 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224991717 571637111 /nfs/dbraw/zinc/63/71/11/571637111.db2.gz LHLBOOXLXGEWTR-FCHUYYIVSA-N 0 0 631.151 5.093 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000224996398 571637601 /nfs/dbraw/zinc/63/76/01/571637601.db2.gz XRKPKUZKKZJGGD-URLMMPGGSA-N 0 0 573.122 6.847 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225063787 571643414 /nfs/dbraw/zinc/64/34/14/571643414.db2.gz KADQRWFDTGBCQU-SANMLTNESA-N 0 0 574.530 6.300 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225066932 571643634 /nfs/dbraw/zinc/64/36/34/571643634.db2.gz ASEVTKXOOKCJOO-DHUJRADRSA-N 0 0 753.705 7.113 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225073202 571644317 /nfs/dbraw/zinc/64/43/17/571644317.db2.gz BUBCKWVTLIWSED-XIFFEERXSA-N 0 0 727.667 6.579 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225082212 571645487 /nfs/dbraw/zinc/64/54/87/571645487.db2.gz YDXPBYCFAPUJBN-IOWSJCHKSA-N 0 0 590.665 5.975 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225084178 571645672 /nfs/dbraw/zinc/64/56/72/571645672.db2.gz ZYSSIBIAJOIYTC-RUZDIDTESA-N 0 0 574.461 5.454 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225084144 571645686 /nfs/dbraw/zinc/64/56/86/571645686.db2.gz ZYSSIBIAJOIYTC-VWLOTQADSA-N 0 0 574.461 5.454 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225084589 571645738 /nfs/dbraw/zinc/64/57/38/571645738.db2.gz NRAVZGVOACBCHM-FIRIVFDPSA-N 0 0 591.649 6.444 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225105340 571647686 /nfs/dbraw/zinc/64/76/86/571647686.db2.gz NBAWRSQXGWKUFQ-GDLZYMKVSA-N 0 0 561.704 5.536 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225131183 571650311 /nfs/dbraw/zinc/65/03/11/571650311.db2.gz ZDKURGCJTZUZKI-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225134838 571650585 /nfs/dbraw/zinc/65/05/85/571650585.db2.gz LLJUIYXZPLUGPW-GDLZYMKVSA-N 0 0 627.163 5.700 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000225167437 571653991 /nfs/dbraw/zinc/65/39/91/571653991.db2.gz LGGJEPSXANOWBW-KAYWLYCHSA-N 0 0 526.622 5.615 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225174550 571654585 /nfs/dbraw/zinc/65/45/85/571654585.db2.gz UAOMJNCNZIBSJB-NDEPHWFRSA-N 0 0 705.661 6.670 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000225175057 571654641 /nfs/dbraw/zinc/65/46/41/571654641.db2.gz JCHWLXBITAYJIK-RRPNLBNLSA-N 0 0 527.606 6.084 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225180964 571655266 /nfs/dbraw/zinc/65/52/66/571655266.db2.gz NXKKDOZTDZBTTO-JOCHJYFZSA-N 0 0 657.587 5.419 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225190092 571656248 /nfs/dbraw/zinc/65/62/48/571656248.db2.gz RJAQMDNXONVACC-XMMPIXPASA-N 0 0 501.624 5.223 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1OC ZINC000225195622 571656746 /nfs/dbraw/zinc/65/67/46/571656746.db2.gz FJSCNEMLICZJLQ-SVBPBHIXSA-N 0 0 542.621 5.315 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225226114 571660008 /nfs/dbraw/zinc/66/00/08/571660008.db2.gz PJPSTMGHKICRPK-IZZNHLLZSA-N 0 0 529.578 5.012 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225228655 571660294 /nfs/dbraw/zinc/66/02/94/571660294.db2.gz HVJJRMISQMULOW-GDLZYMKVSA-N 0 0 545.705 5.917 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225231890 571660585 /nfs/dbraw/zinc/66/05/85/571660585.db2.gz IQDGXGVRUGZWID-SSEXGKCCSA-N 0 0 705.661 6.670 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225231680 571660600 /nfs/dbraw/zinc/66/06/00/571660600.db2.gz SNNSDIIANATLPI-CLJLJLNGSA-N 0 0 529.578 5.012 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225231855 571660610 /nfs/dbraw/zinc/66/06/10/571660610.db2.gz IQDGXGVRUGZWID-PMERELPUSA-N 0 0 705.661 6.670 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225231572 571660617 /nfs/dbraw/zinc/66/06/17/571660617.db2.gz SNNSDIIANATLPI-UIOOFZCWSA-N 0 0 529.578 5.012 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225249813 571662493 /nfs/dbraw/zinc/66/24/93/571662493.db2.gz QEZUJDAPBNJERQ-QFIPXVFZSA-N 0 0 506.430 5.700 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225249851 571662506 /nfs/dbraw/zinc/66/25/06/571662506.db2.gz QEZUJDAPBNJERQ-JOCHJYFZSA-N 0 0 506.430 5.700 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225251506 571662736 /nfs/dbraw/zinc/66/27/36/571662736.db2.gz RDPXJKWCVLKTOY-IZZNHLLZSA-N 0 0 563.039 5.196 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225254728 571663044 /nfs/dbraw/zinc/66/30/44/571663044.db2.gz CKHBEEMFXSSNQC-WOJBJXKFSA-N 0 0 621.543 5.429 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000225258943 571663578 /nfs/dbraw/zinc/66/35/78/571663578.db2.gz SPCTWNBBCKLNHA-IZZNHLLZSA-N 0 0 564.023 5.665 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000225274566 571665419 /nfs/dbraw/zinc/66/54/19/571665419.db2.gz NSEMHQUHMIWROQ-DHUJRADRSA-N 0 0 668.816 6.188 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000225282557 571666223 /nfs/dbraw/zinc/66/62/23/571666223.db2.gz SXOSVCMRRUTNPU-HKBQPEDESA-N 0 0 620.772 5.067 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225289816 571667064 /nfs/dbraw/zinc/66/70/64/571667064.db2.gz YLVIEXZUCNNSLG-NDEPHWFRSA-N 0 0 740.106 7.324 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225295564 571667865 /nfs/dbraw/zinc/66/78/65/571667865.db2.gz LVHLXMHTFRZMPK-NHCUHLMSSA-N 0 0 665.596 5.746 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225300724 571668670 /nfs/dbraw/zinc/66/86/70/571668670.db2.gz PCNFDTGTXOXELV-BHVANESWSA-N 0 0 747.314 7.158 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225302686 571668837 /nfs/dbraw/zinc/66/88/37/571668837.db2.gz FVIXDBQVHCGNSK-RUZDIDTESA-N 0 0 513.660 5.093 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225310381 571670113 /nfs/dbraw/zinc/67/01/13/571670113.db2.gz GGNPYCCTHAUPMB-LJAQVGFWSA-N 0 0 580.150 6.570 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225311402 571670277 /nfs/dbraw/zinc/67/02/77/571670277.db2.gz KPIDEDBVASOVPT-WJOKGBTCSA-N 0 0 666.797 5.372 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225315128 571671182 /nfs/dbraw/zinc/67/11/82/571671182.db2.gz LSHFSEGEKPDTII-JKSUJKDBSA-N 0 0 512.459 5.467 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260765578 571674216 /nfs/dbraw/zinc/67/42/16/571674216.db2.gz FKPVKSHHBZCVFL-HSZRJFAPSA-N 0 0 657.189 5.627 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260766359 571676005 /nfs/dbraw/zinc/67/60/05/571676005.db2.gz GPRXKLNEKKILLP-HXUWFJFHSA-N 0 0 665.596 5.746 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225321609 571677227 /nfs/dbraw/zinc/67/72/27/571677227.db2.gz UTUFIQNZOPZNMW-VWLOTQADSA-N 0 0 700.041 6.401 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O ZINC000225331525 571689342 /nfs/dbraw/zinc/68/93/42/571689342.db2.gz HVUPFEGNUDRBEC-SXOMAYOGSA-N 0 0 559.604 5.403 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260789822 571697058 /nfs/dbraw/zinc/69/70/58/571697058.db2.gz MSGRBJYQWIHIGV-JOCHJYFZSA-N 0 0 643.162 5.237 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225346049 571705727 /nfs/dbraw/zinc/70/57/27/571705727.db2.gz ZMSKQLSPKITCDZ-NDEPHWFRSA-N 0 0 580.081 5.725 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225354769 571715112 /nfs/dbraw/zinc/71/51/12/571715112.db2.gz KGDVSTXJACAMQC-IZZNHLLZSA-N 0 0 500.580 6.214 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225357818 571719261 /nfs/dbraw/zinc/71/92/61/571719261.db2.gz NPXWPGDRRROFGJ-PMERELPUSA-N 0 0 606.745 5.089 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225359815 571721745 /nfs/dbraw/zinc/72/17/45/571721745.db2.gz KVENPFKBKYEFDY-UIOOFZCWSA-N 0 0 500.580 6.214 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225363698 571726313 /nfs/dbraw/zinc/72/63/13/571726313.db2.gz MLQGYLDGNGZPNO-FGZHOGPDSA-N 0 0 661.177 5.101 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225367179 571731159 /nfs/dbraw/zinc/73/11/59/571731159.db2.gz OVBAEEUPKOKLKZ-GDLZYMKVSA-N 0 0 685.243 6.059 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225371711 571736657 /nfs/dbraw/zinc/73/66/57/571736657.db2.gz PDNJXKSGCJVNSQ-GDLZYMKVSA-N 0 0 563.695 6.056 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260828141 571739273 /nfs/dbraw/zinc/73/92/73/571739273.db2.gz ZSKXCGSPINHGOJ-JOCHJYFZSA-N 0 0 691.634 6.280 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260872032 571775233 /nfs/dbraw/zinc/77/52/33/571775233.db2.gz LJXFOUUYOZIVAH-JGCGQSQUSA-N 0 0 727.667 6.579 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225407355 571776007 /nfs/dbraw/zinc/77/60/07/571776007.db2.gz RZMDKOBEFRUEEV-SANMLTNESA-N 0 0 661.177 5.103 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260876604 571781635 /nfs/dbraw/zinc/78/16/35/571781635.db2.gz MJWTYDILQMNRGH-MGBGTMOVSA-N 0 0 693.222 5.925 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260880086 571787006 /nfs/dbraw/zinc/78/70/06/571787006.db2.gz CAOMZXZZDQPTKF-PSXMRANNSA-N 0 0 716.832 6.335 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260885100 571796278 /nfs/dbraw/zinc/79/62/78/571796278.db2.gz DXHGNCBOBCBGBI-DIPNUNPCSA-N 0 0 728.868 6.205 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260887767 571799010 /nfs/dbraw/zinc/79/90/10/571799010.db2.gz KILVNVVNOXSJNO-OAQYLSRUSA-N 0 0 665.596 5.603 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225434475 571801901 /nfs/dbraw/zinc/80/19/01/571801901.db2.gz UVHYWCFIYHLAMB-MHZLTWQESA-N 0 0 554.112 6.038 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225441268 571811464 /nfs/dbraw/zinc/81/14/64/571811464.db2.gz OFIVKWXCHHNPMK-NDEPHWFRSA-N 0 0 578.507 5.989 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260904796 571829040 /nfs/dbraw/zinc/82/90/40/571829040.db2.gz FEECKZBVYZYRTH-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260909195 571836085 /nfs/dbraw/zinc/83/60/85/571836085.db2.gz FPFZTXWXIYKGRK-RLWLMLJZSA-N 0 0 663.168 5.622 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260911628 571840102 /nfs/dbraw/zinc/84/01/02/571840102.db2.gz FVDDCPBZDIBNNF-IBVKSMDESA-N 0 0 714.068 6.789 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 ZINC000260916508 571848533 /nfs/dbraw/zinc/84/85/33/571848533.db2.gz JFOZYGXJNYIJSE-GVXWNRQESA-N 0 0 587.149 7.093 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000260917417 571850713 /nfs/dbraw/zinc/85/07/13/571850713.db2.gz GIDYLDXQBCOMPM-MGBGTMOVSA-N 0 0 642.778 5.511 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260920829 571856032 /nfs/dbraw/zinc/85/60/32/571856032.db2.gz HRASRIGOMVGZQS-PGUFJCEWSA-N 0 0 686.831 5.828 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 ZINC000260924245 571862203 /nfs/dbraw/zinc/86/22/03/571862203.db2.gz SOYMDDDNYJLTRR-GBJTXXJHSA-N 0 0 588.133 7.563 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225501983 571872293 /nfs/dbraw/zinc/87/22/93/571872293.db2.gz QTJYESACFVBNSH-MUUNZHRXSA-N 0 0 568.501 6.533 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225503170 571873209 /nfs/dbraw/zinc/87/32/09/571873209.db2.gz KHIWKOUZPAPJKZ-MGBGTMOVSA-N 0 0 725.239 6.456 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260936361 571887342 /nfs/dbraw/zinc/88/73/42/571887342.db2.gz QPFGOQDPKPHJEL-PSXMRANNSA-N 0 0 747.314 7.158 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225520567 571889377 /nfs/dbraw/zinc/88/93/77/571889377.db2.gz MPGJSBSPKJKZAF-JGCGQSQUSA-N 0 0 707.647 6.109 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260938945 571892404 /nfs/dbraw/zinc/89/24/04/571892404.db2.gz ILDGZJKSBCHJGV-KCWPFWIISA-N 0 0 659.205 5.791 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260942342 571898942 /nfs/dbraw/zinc/89/89/42/571898942.db2.gz IUWOBWLUDPSBJH-FNZWTVRRSA-N 0 0 714.068 6.789 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260954303 571920053 /nfs/dbraw/zinc/92/00/53/571920053.db2.gz UXDXIBCQRQBDCM-PGUFJCEWSA-N 0 0 686.831 5.828 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260956488 571923113 /nfs/dbraw/zinc/92/31/13/571923113.db2.gz WYBHZYXXIQKABN-PGUFJCEWSA-N 0 0 767.732 7.503 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225562419 571924474 /nfs/dbraw/zinc/92/44/74/571924474.db2.gz POSZAIZRDACMRC-WUFINQPMSA-N 0 0 541.633 5.814 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225570107 571932070 /nfs/dbraw/zinc/93/20/70/571932070.db2.gz IRLNLKHKBLCCHI-JGCGQSQUSA-N 0 0 697.641 6.653 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260962436 571932942 /nfs/dbraw/zinc/93/29/42/571932942.db2.gz YJVXMZUQERLADI-OAQYLSRUSA-N 0 0 665.596 5.603 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225577435 571937131 /nfs/dbraw/zinc/93/71/31/571937131.db2.gz FVXHTOBMTOVBOZ-HHHXNRCGSA-N 0 0 635.570 5.224 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225579327 571938804 /nfs/dbraw/zinc/93/88/04/571938804.db2.gz LVJLNCGDFYQGGT-RRPNLBNLSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225583197 571942011 /nfs/dbraw/zinc/94/20/11/571942011.db2.gz CMBWYFNWTGWVEU-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260972538 571944643 /nfs/dbraw/zinc/94/46/43/571944643.db2.gz ABFMHABYLAEEIG-JGCGQSQUSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260974232 571946607 /nfs/dbraw/zinc/94/66/07/571946607.db2.gz AEWBDIOALSDRMP-RBBQXQBVSA-N 0 0 776.139 7.622 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225592092 571947919 /nfs/dbraw/zinc/94/79/19/571947919.db2.gz LRWQOXIOCLTOGV-KDYSTLNUSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225592020 571948082 /nfs/dbraw/zinc/94/80/82/571948082.db2.gz CFVLAJYPTOTFOD-KDYSTLNUSA-N 0 0 601.125 5.166 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225603175 571956711 /nfs/dbraw/zinc/95/67/11/571956711.db2.gz AKACTDJFMNFFBQ-FQEVSTJZSA-N 0 0 651.569 5.356 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 ZINC000225603970 571957455 /nfs/dbraw/zinc/95/74/55/571957455.db2.gz NTJZMXQRCJVRKW-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225608525 571960649 /nfs/dbraw/zinc/96/06/49/571960649.db2.gz ZLQVDJSVGQRYKH-SSEXGKCCSA-N 0 0 699.613 5.800 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225617439 571967708 /nfs/dbraw/zinc/96/77/08/571967708.db2.gz GQCMCXAQXDWWHW-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260998322 571983770 /nfs/dbraw/zinc/98/37/70/571983770.db2.gz PEGUWICOXUONHJ-UUWRZZSWSA-N 0 0 753.705 7.113 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225636889 571988423 /nfs/dbraw/zinc/98/84/23/571988423.db2.gz MVTARSYRXZLRON-IZLXSDGUSA-N 0 0 541.633 5.868 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261001700 571988786 /nfs/dbraw/zinc/98/87/86/571988786.db2.gz FHLIJNULWIBFIQ-MGBGTMOVSA-N 0 0 776.139 7.480 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225639508 571990697 /nfs/dbraw/zinc/99/06/97/571990697.db2.gz QUVCZMZQVUFVTR-XIFFEERXSA-N 0 0 658.777 5.355 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261007730 571999219 /nfs/dbraw/zinc/99/92/19/571999219.db2.gz GHAJETBHFRWTCH-URNDWHGUSA-N 0 0 702.830 5.671 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225654716 572001997 /nfs/dbraw/zinc/00/19/97/572001997.db2.gz UKCVRSQBUDPSBQ-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261011714 572006154 /nfs/dbraw/zinc/00/61/54/572006154.db2.gz SLZUNWRHSCXAMF-UUWRZZSWSA-N 0 0 654.789 5.797 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225674964 572015081 /nfs/dbraw/zinc/01/50/81/572015081.db2.gz BBIHSPNOPFMDCM-KAYWLYCHSA-N 0 0 543.605 5.260 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225679125 572017859 /nfs/dbraw/zinc/01/78/59/572017859.db2.gz GBFKUTCOTKPXPP-RBTNQOKQSA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225682030 572019683 /nfs/dbraw/zinc/01/96/83/572019683.db2.gz FVDDCPBZDIBNNF-FQRUVTKNSA-N 0 0 714.068 6.789 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261021076 572021294 /nfs/dbraw/zinc/02/12/94/572021294.db2.gz VZROMDPXRREHRA-GIGWZHCTSA-N 0 0 624.760 5.138 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000261029898 572030952 /nfs/dbraw/zinc/03/09/52/572030952.db2.gz WUJVOVBWKLOMFP-UUWRZZSWSA-N 0 0 654.789 5.797 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225708414 572038526 /nfs/dbraw/zinc/03/85/26/572038526.db2.gz IUWOBWLUDPSBJH-RXFWQSSRSA-N 0 0 714.068 6.789 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000225711007 572040984 /nfs/dbraw/zinc/04/09/84/572040984.db2.gz LWQITVYVXADVHD-KYJUHHDHSA-N 0 0 562.655 5.935 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000225711051 572041091 /nfs/dbraw/zinc/04/10/91/572041091.db2.gz LWQITVYVXADVHD-XZWHSSHBSA-N 0 0 562.655 5.935 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000225714489 572043431 /nfs/dbraw/zinc/04/34/31/572043431.db2.gz BKMAYNHSYQOSME-CONSDPRKSA-N 0 0 593.665 6.413 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000225714402 572043520 /nfs/dbraw/zinc/04/35/20/572043520.db2.gz BKMAYNHSYQOSME-FIRIVFDPSA-N 0 0 593.665 6.413 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261041421 572045232 /nfs/dbraw/zinc/04/52/32/572045232.db2.gz ZHSSPDWDSAFNKM-MGBGTMOVSA-N 0 0 719.658 6.252 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261041561 572045569 /nfs/dbraw/zinc/04/55/69/572045569.db2.gz KPCGVHHUNHNVOF-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225732211 572052643 /nfs/dbraw/zinc/05/26/43/572052643.db2.gz GWBJLFRTOBNPDO-YTTGMZPUSA-N 0 0 628.751 5.202 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225749263 572060515 /nfs/dbraw/zinc/06/05/15/572060515.db2.gz GIDYLDXQBCOMPM-XIFFEERXSA-N 0 0 642.778 5.511 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261057127 572060714 /nfs/dbraw/zinc/06/07/14/572060714.db2.gz NDKRRVCILWFTMB-MGBGTMOVSA-N 0 0 672.804 5.662 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261059253 572062168 /nfs/dbraw/zinc/06/21/68/572062168.db2.gz NNAZRMKZRRAITM-DCFHFQCYSA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261068328 572068472 /nfs/dbraw/zinc/06/84/72/572068472.db2.gz PFSULFHBPZAHND-GZGVDWRWSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261072975 572071097 /nfs/dbraw/zinc/07/10/97/572071097.db2.gz QAHDVQYMKKMWHI-BNHRFMORSA-N 0 0 697.641 6.652 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261095794 572084388 /nfs/dbraw/zinc/08/43/88/572084388.db2.gz UYVICIWZIJMBPZ-UUWRZZSWSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261099005 572087100 /nfs/dbraw/zinc/08/71/00/572087100.db2.gz VROOWDATFPFDRH-SFRLIIPVSA-N 0 0 751.700 6.424 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261109043 572093910 /nfs/dbraw/zinc/09/39/10/572093910.db2.gz XOBWNDXXSNWXKQ-UKJJDJLKSA-N 0 0 646.741 5.484 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261112005 572095417 /nfs/dbraw/zinc/09/54/17/572095417.db2.gz XZOACNDJFDEEOI-NYFMKLKXSA-N 0 0 707.249 6.315 40 5 KKBBRN CCCCNc1c(C(=O)OCC)c(-c2ccc(Br)cc2)c([N+](=O)[O-])c(-c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000261828457 572114036 /nfs/dbraw/zinc/11/40/36/572114036.db2.gz OTJNBFKGSFXJSR-UHFFFAOYSA-N 0 0 621.282 7.751 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]21 ZINC000226411517 572137738 /nfs/dbraw/zinc/13/77/38/572137738.db2.gz QGAMWNKSVGNEGX-PAARPEEMSA-N 0 0 558.974 6.099 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299888554 572141747 /nfs/dbraw/zinc/14/17/47/572141747.db2.gz OFNSUWBAQRCHAV-CDQIRVFOSA-N 0 0 584.885 9.759 40 5 KKBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000408536165 572190075 /nfs/dbraw/zinc/19/00/75/572190075.db2.gz QBFDMPWKULTFEQ-VCABWLAWSA-N 0 0 512.110 5.376 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408541575 572209052 /nfs/dbraw/zinc/20/90/52/572209052.db2.gz DHDBYQSVSSHUCB-YVMONPNESA-N 0 0 524.165 6.174 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408542144 572210212 /nfs/dbraw/zinc/21/02/12/572210212.db2.gz HLNCFTCSEUAGBR-QXMHVHEDSA-N 0 0 509.356 6.955 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408543247 572212124 /nfs/dbraw/zinc/21/21/24/572212124.db2.gz OJRPJEGWGNYBAO-UTCJRWHESA-N 0 0 514.159 6.719 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408544696 572216418 /nfs/dbraw/zinc/21/64/18/572216418.db2.gz IQGSMKBLAJRCJX-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCCC1 ZINC000408550045 572233440 /nfs/dbraw/zinc/23/34/40/572233440.db2.gz CZEATWLXEACRGR-YBFXNURJSA-N 0 0 521.473 5.065 40 5 KKBBRN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408551085 572235342 /nfs/dbraw/zinc/23/53/42/572235342.db2.gz AXNFZKQUZNCKHY-UHFFFAOYSA-N 0 0 575.355 5.525 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408553876 572241280 /nfs/dbraw/zinc/24/12/80/572241280.db2.gz BQLWBTOUFGQIOJ-UHFFFAOYSA-N 0 0 504.768 5.949 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408554849 572242319 /nfs/dbraw/zinc/24/23/19/572242319.db2.gz DNWJRKPOEDBYHZ-QFIPXVFZSA-N 0 0 501.904 5.736 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408554888 572242349 /nfs/dbraw/zinc/24/23/49/572242349.db2.gz DVTVBVXPJBTVQP-UHFFFAOYSA-N 0 0 580.184 8.486 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556636 572244069 /nfs/dbraw/zinc/24/40/69/572244069.db2.gz JWQUNNXMJUHVDT-JOCHJYFZSA-N 0 0 524.904 6.847 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408557476 572244852 /nfs/dbraw/zinc/24/48/52/572244852.db2.gz NUSYJKPDHGBKDY-UHFFFAOYSA-N 0 0 559.187 6.706 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl ZINC000408558287 572245787 /nfs/dbraw/zinc/24/57/87/572245787.db2.gz QWXMIZDPRITIFI-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559427 572246687 /nfs/dbraw/zinc/24/66/87/572246687.db2.gz ZSMYQEHXXQQLBR-DEOSSOPVSA-N 0 0 563.857 6.767 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559431 572246769 /nfs/dbraw/zinc/24/67/69/572246769.db2.gz ZSMYQEHXXQQLBR-XMMPIXPASA-N 0 0 563.857 6.767 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563365 572249346 /nfs/dbraw/zinc/24/93/46/572249346.db2.gz AHHGCINZZXOTEL-KLPDMWAPSA-N 0 0 578.463 5.400 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563306 572249364 /nfs/dbraw/zinc/24/93/64/572249364.db2.gz AEQLRBGFNFJSML-LXVLGKFKSA-N 0 0 592.490 5.790 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563312 572249392 /nfs/dbraw/zinc/24/93/92/572249392.db2.gz AEQLRBGFNFJSML-VANZEMCSSA-N 0 0 592.490 5.790 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564027 572250089 /nfs/dbraw/zinc/25/00/89/572250089.db2.gz CBHVFFWHQSHPTG-YKZUFBCQSA-N 0 0 523.589 5.339 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564416 572250484 /nfs/dbraw/zinc/25/04/84/572250484.db2.gz CTDOVUNHQADOIB-BBFXTFFKSA-N 0 0 633.326 6.398 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Br)cc1 ZINC000408564531 572250583 /nfs/dbraw/zinc/25/05/83/572250583.db2.gz ZDFNBLLAWYVTCZ-FLFQWRMESA-N 0 0 508.825 6.254 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 ZINC000408564762 572250835 /nfs/dbraw/zinc/25/08/35/572250835.db2.gz AAMBTIXGPIBHNV-HSZRJFAPSA-N 0 0 589.899 6.689 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408565002 572251430 /nfs/dbraw/zinc/25/14/30/572251430.db2.gz AYGIVLBZTVPVAX-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000408565060 572251512 /nfs/dbraw/zinc/25/15/12/572251512.db2.gz BBUUTMPUHVJXOV-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564953 572251534 /nfs/dbraw/zinc/25/15/34/572251534.db2.gz GTWVSJORXOCCFF-STNVRERYSA-N 0 0 570.415 5.088 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)c(C)c1 ZINC000408565126 572251862 /nfs/dbraw/zinc/25/18/62/572251862.db2.gz BGWVBYRVPUWKDS-RUZDIDTESA-N 0 0 598.479 6.552 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000408565222 572252113 /nfs/dbraw/zinc/25/21/13/572252113.db2.gz BIUJZUILSMHZDM-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408565349 572252382 /nfs/dbraw/zinc/25/23/82/572252382.db2.gz BTRWXWISZUGNNE-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408565288 572252390 /nfs/dbraw/zinc/25/23/90/572252390.db2.gz BPPHVJDBYFMGKJ-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408565411 572252635 /nfs/dbraw/zinc/25/26/35/572252635.db2.gz BVFHIUDGWRJPKO-DEOSSOPVSA-N 0 0 603.470 6.184 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565402 572252646 /nfs/dbraw/zinc/25/26/46/572252646.db2.gz KHPWUVNCUSGBDS-YUHKXCSQSA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565524 572252743 /nfs/dbraw/zinc/25/27/43/572252743.db2.gz CDXUFBZEBNBOOD-DEOSSOPVSA-N 0 0 561.010 6.595 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408565492 572252776 /nfs/dbraw/zinc/25/27/76/572252776.db2.gz CBNHPJFRTGTEIF-DEOSSOPVSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565606 572252930 /nfs/dbraw/zinc/25/29/30/572252930.db2.gz LNEGAFYGSOXHAB-GHKAFPQUSA-N 0 0 566.452 5.257 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565639 572252941 /nfs/dbraw/zinc/25/29/41/572252941.db2.gz LPZGZXVPPSYCID-CNBSGPCYSA-N 0 0 607.288 5.865 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408565633 572252953 /nfs/dbraw/zinc/25/29/53/572252953.db2.gz CPCDOWCAJZEZTC-AREMUKBSSA-N 0 0 603.528 7.369 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OCC)c(OCC)cc2Br)cc1 ZINC000408565734 572253026 /nfs/dbraw/zinc/25/30/26/572253026.db2.gz CYFWTWFBWOFLFR-QFIPXVFZSA-N 0 0 551.463 5.644 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408566023 572253343 /nfs/dbraw/zinc/25/33/43/572253343.db2.gz DOWSUFUJMZATAX-DEOSSOPVSA-N 0 0 559.019 6.075 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408566187 572253481 /nfs/dbraw/zinc/25/34/81/572253481.db2.gz DZTNCQGJBICHPN-VWLOTQADSA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408566184 572253483 /nfs/dbraw/zinc/25/34/83/572253483.db2.gz DZTNCQGJBICHPN-RUZDIDTESA-N 0 0 589.501 6.979 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408566259 572253532 /nfs/dbraw/zinc/25/35/32/572253532.db2.gz FEUSFWZZDYLRGV-XMMPIXPASA-N 0 0 589.899 6.689 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000408566302 572253571 /nfs/dbraw/zinc/25/35/71/572253571.db2.gz FGNAMEPYCZGFQE-MHZLTWQESA-N 0 0 613.534 6.825 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000408566288 572253595 /nfs/dbraw/zinc/25/35/95/572253595.db2.gz FFTDARAXOYVWRE-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1 ZINC000408566293 572253640 /nfs/dbraw/zinc/25/36/40/572253640.db2.gz FFWQWIGWDFYVLT-VWLOTQADSA-N 0 0 571.472 6.783 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566431 572253674 /nfs/dbraw/zinc/25/36/74/572253674.db2.gz NYNLGKOHGTUJJM-IUUIHGGBSA-N 0 0 532.811 5.748 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408566572 572253724 /nfs/dbraw/zinc/25/37/24/572253724.db2.gz FPYVHAHEJGUCAP-RUZDIDTESA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566734 572253898 /nfs/dbraw/zinc/25/38/98/572253898.db2.gz OONRZHYQZMFTJQ-NUWWLQTNSA-N 0 0 582.426 5.230 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccccc1 ZINC000408566783 572254033 /nfs/dbraw/zinc/25/40/33/572254033.db2.gz GDGOSFIVPGXCQJ-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408567167 572254183 /nfs/dbraw/zinc/25/41/83/572254183.db2.gz GQHZWQRKGFUPAG-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408567082 572254204 /nfs/dbraw/zinc/25/42/04/572254204.db2.gz GINGXFXTOIUORA-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567144 572254207 /nfs/dbraw/zinc/25/42/07/572254207.db2.gz GOZQTCAILDLRTH-HXUWFJFHSA-N 0 0 526.343 5.835 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408567546 572254304 /nfs/dbraw/zinc/25/43/04/572254304.db2.gz GVJYUMKSGOPUSK-MUUNZHRXSA-N 0 0 532.666 6.589 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000408567681 572254409 /nfs/dbraw/zinc/25/44/09/572254409.db2.gz HCRSNTRCAHFPPL-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408567687 572254422 /nfs/dbraw/zinc/25/44/22/572254422.db2.gz QYWCWWJBYZTTOQ-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408567576 572254430 /nfs/dbraw/zinc/25/44/30/572254430.db2.gz GWRGXINBRJUEFP-HSZRJFAPSA-N 0 0 546.983 6.205 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408567583 572254444 /nfs/dbraw/zinc/25/44/44/572254444.db2.gz GWTDQEZPFUAQBO-MUUNZHRXSA-N 0 0 635.540 7.198 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408567643 572254456 /nfs/dbraw/zinc/25/44/56/572254456.db2.gz HATZERAAHOGSLS-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccccc1 ZINC000408568088 572254665 /nfs/dbraw/zinc/25/46/65/572254665.db2.gz HPOXGRFPSYKWDI-HSZRJFAPSA-N 0 0 525.974 5.826 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568222 572254827 /nfs/dbraw/zinc/25/48/27/572254827.db2.gz SMPCYRLBHZXDKQ-TUPPOGIXSA-N 0 0 552.400 5.222 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408568544 572255092 /nfs/dbraw/zinc/25/50/92/572255092.db2.gz HZRFKXIYGQORRA-SANMLTNESA-N 0 0 583.508 6.734 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568878 572255319 /nfs/dbraw/zinc/25/53/19/572255319.db2.gz VCTDNYRZUARHSV-TUPPOGIXSA-N 0 0 558.849 6.280 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 ZINC000408569220 572255624 /nfs/dbraw/zinc/25/56/24/572255624.db2.gz JDZDPGHGKWCFNI-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408569224 572255644 /nfs/dbraw/zinc/25/56/44/572255644.db2.gz JEEQEXHHXICCQN-AREMUKBSSA-N 0 0 631.980 7.696 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408569492 572255749 /nfs/dbraw/zinc/25/57/49/572255749.db2.gz JGROSCLAXSFNLK-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccccc1 ZINC000408569613 572255813 /nfs/dbraw/zinc/25/58/13/572255813.db2.gz JVUUTBGRPWCBGO-HSZRJFAPSA-N 0 0 525.428 6.027 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569665 572255829 /nfs/dbraw/zinc/25/58/29/572255829.db2.gz WVKBYHNPKMGJDP-PWBHZWRTSA-N 0 0 532.811 5.748 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569707 572256035 /nfs/dbraw/zinc/25/60/35/572256035.db2.gz XCPBFVVEUNZNFH-WQWSHVPRSA-N 0 0 532.811 5.748 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408569862 572256086 /nfs/dbraw/zinc/25/60/86/572256086.db2.gz JZJACNYSBDMRIX-HSZRJFAPSA-N 0 0 560.419 6.480 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000408569947 572256151 /nfs/dbraw/zinc/25/61/51/572256151.db2.gz KIJHKYLPRUKRHY-DEOSSOPVSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570060 572256221 /nfs/dbraw/zinc/25/62/21/572256221.db2.gz YHFWUZYGTHIHNX-OCAOGGMISA-N 0 0 657.359 6.244 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(F)cc1 ZINC000408570346 572256409 /nfs/dbraw/zinc/25/64/09/572256409.db2.gz LAIWRBOJACNUBL-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570212 572256363 /nfs/dbraw/zinc/25/63/63/572256363.db2.gz ZVRLTIVRHNKMON-UYDITSSVSA-N 0 0 586.870 5.602 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OCC)c2)cc1 ZINC000408570315 572256427 /nfs/dbraw/zinc/25/64/27/572256427.db2.gz KWXDNBCYCAIDLG-FQEVSTJZSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408570669 572256488 /nfs/dbraw/zinc/25/64/88/572256488.db2.gz LUZIEFWCAJWYHY-SANMLTNESA-N 0 0 599.507 6.435 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408570681 572256493 /nfs/dbraw/zinc/25/64/93/572256493.db2.gz LVSZSQXAXNVHDX-VWLOTQADSA-N 0 0 535.582 5.572 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCC ZINC000408570657 572256508 /nfs/dbraw/zinc/25/65/08/572256508.db2.gz LTDJLBXNTGVGDW-FQEVSTJZSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000408570702 572256511 /nfs/dbraw/zinc/25/65/11/572256511.db2.gz LXJIGVNCBHAPEK-MHZLTWQESA-N 0 0 552.628 6.201 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408570579 572256515 /nfs/dbraw/zinc/25/65/15/572256515.db2.gz LLJZVYOKJYHNJQ-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408570964 572256708 /nfs/dbraw/zinc/25/67/08/572256708.db2.gz MMPMIIKRHDXJBL-RUZDIDTESA-N 0 0 554.028 6.443 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408570970 572256724 /nfs/dbraw/zinc/25/67/24/572256724.db2.gz MMTWUNKOFICJHT-RUZDIDTESA-N 0 0 593.920 7.624 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408570984 572256736 /nfs/dbraw/zinc/25/67/36/572256736.db2.gz MNMLFAZNWDFMSF-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408571123 572256846 /nfs/dbraw/zinc/25/68/46/572256846.db2.gz NRSOLFWXKUYLSL-SANMLTNESA-N 0 0 647.979 7.478 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408571298 572256921 /nfs/dbraw/zinc/25/69/21/572256921.db2.gz OHPGOLXRLSZTFN-DEOSSOPVSA-N 0 0 543.020 6.456 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408571167 572256942 /nfs/dbraw/zinc/25/69/42/572256942.db2.gz NYYFNLPLKPMOEK-HSZRJFAPSA-N 0 0 559.873 6.681 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571355 572257069 /nfs/dbraw/zinc/25/70/69/572257069.db2.gz OMOOURROIYKTLQ-HSZRJFAPSA-N 0 0 589.899 6.689 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571517 572257193 /nfs/dbraw/zinc/25/71/93/572257193.db2.gz OUIWSNHTCBKSLR-XMMPIXPASA-N 0 0 561.466 7.328 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571544 572257205 /nfs/dbraw/zinc/25/72/05/572257205.db2.gz OWVJLTZHFKAIDR-OAQYLSRUSA-N 0 0 529.818 6.970 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408571646 572257255 /nfs/dbraw/zinc/25/72/55/572257255.db2.gz PJRQYZCQSCPSSC-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408571888 572257328 /nfs/dbraw/zinc/25/73/28/572257328.db2.gz PUNWBWKUUSEYSJ-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571940 572257456 /nfs/dbraw/zinc/25/74/56/572257456.db2.gz QANFGDHTDWKEQJ-QHCPKHFHSA-N 0 0 567.857 7.364 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408572108 572257545 /nfs/dbraw/zinc/25/75/45/572257545.db2.gz QQHNBRROQJASOL-HSZRJFAPSA-N 0 0 584.312 7.878 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 ZINC000408572014 572257571 /nfs/dbraw/zinc/25/75/71/572257571.db2.gz QJTOEHBPPOUIPB-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 ZINC000408572032 572257580 /nfs/dbraw/zinc/25/75/80/572257580.db2.gz QLEOVHQQAFJSKM-QHCPKHFHSA-N 0 0 604.870 6.589 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408572393 572257819 /nfs/dbraw/zinc/25/78/19/572257819.db2.gz RAHZZQXZGJYXNK-XMMPIXPASA-N 0 0 603.926 7.079 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408572487 572257876 /nfs/dbraw/zinc/25/78/76/572257876.db2.gz RHOGEJWIBVQVKR-RUZDIDTESA-N 0 0 559.475 6.889 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408572461 572257885 /nfs/dbraw/zinc/25/78/85/572257885.db2.gz RFKWBRAQTQJIGY-MHZLTWQESA-N 0 0 593.478 7.320 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408572473 572257944 /nfs/dbraw/zinc/25/79/44/572257944.db2.gz RGEUCISVNCRMCG-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 ZINC000408572619 572257998 /nfs/dbraw/zinc/25/79/98/572257998.db2.gz RNBGFNVUXMXLHQ-JOCHJYFZSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408572995 572258481 /nfs/dbraw/zinc/25/84/81/572258481.db2.gz SCKNUDRBJIDVMA-RUZDIDTESA-N 0 0 575.474 6.589 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408573047 572258484 /nfs/dbraw/zinc/25/84/84/572258484.db2.gz SGLSEOXGHBIXTI-VWLOTQADSA-N 0 0 589.501 6.979 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573006 572258488 /nfs/dbraw/zinc/25/84/88/572258488.db2.gz KYLKBSPZUIAYML-UHFFFAOYSA-N 0 0 577.446 5.175 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408573022 572258490 /nfs/dbraw/zinc/25/84/90/572258490.db2.gz SFBYZVXJYJKKOD-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408572997 572258512 /nfs/dbraw/zinc/25/85/12/572258512.db2.gz SCKNUDRBJIDVMA-VWLOTQADSA-N 0 0 575.474 6.589 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 ZINC000408572998 572258517 /nfs/dbraw/zinc/25/85/17/572258517.db2.gz SCSWRVJHXQQHBQ-HKBQPEDESA-N 0 0 568.699 7.434 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573194 572258611 /nfs/dbraw/zinc/25/86/11/572258611.db2.gz MTHLDPAAMMQVGK-UXBLZVDNSA-N 0 0 603.484 5.575 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408573109 572258615 /nfs/dbraw/zinc/25/86/15/572258615.db2.gz SMTSMCPNTNZQSR-RUZDIDTESA-N 0 0 526.565 5.942 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573131 572258622 /nfs/dbraw/zinc/25/86/22/572258622.db2.gz SPUODSVNKXLEOQ-DEOSSOPVSA-N 0 0 531.406 7.080 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCC ZINC000408573079 572258648 /nfs/dbraw/zinc/25/86/48/572258648.db2.gz SKLHYZHAOBBKDJ-IBGZPJMESA-N 0 0 525.400 5.385 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408573959 572259200 /nfs/dbraw/zinc/25/92/00/572259200.db2.gz UHCGPTBFMQVGAC-VWLOTQADSA-N 0 0 668.397 7.741 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408574013 572259222 /nfs/dbraw/zinc/25/92/22/572259222.db2.gz UJYIUAJOSBZTDT-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408574450 572259607 /nfs/dbraw/zinc/25/96/07/572259607.db2.gz UVJLYOIKPOKPIA-GOSISDBHSA-N 0 0 513.801 5.119 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408574576 572259709 /nfs/dbraw/zinc/25/97/09/572259709.db2.gz VHKGHBNZTOOYCU-QHCPKHFHSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408574484 572259714 /nfs/dbraw/zinc/25/97/14/572259714.db2.gz UYCIREIEUFFYKO-HSZRJFAPSA-N 0 0 546.983 6.205 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408575465 572260487 /nfs/dbraw/zinc/26/04/87/572260487.db2.gz WIHKYPCGFRBQFW-VWLOTQADSA-N 0 0 573.502 7.279 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408575432 572260527 /nfs/dbraw/zinc/26/05/27/572260527.db2.gz WFQPOPJZUIMWOB-SANMLTNESA-N 0 0 567.509 6.953 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408575904 572260896 /nfs/dbraw/zinc/26/08/96/572260896.db2.gz WZTJHSJWZGXOMY-VWLOTQADSA-N 0 0 662.404 7.497 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408576159 572261037 /nfs/dbraw/zinc/26/10/37/572261037.db2.gz XLRKABLHBCROFZ-OAQYLSRUSA-N 0 0 521.437 5.472 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408576509 572261249 /nfs/dbraw/zinc/26/12/49/572261249.db2.gz XNVSLCUXPZAKEX-RUZDIDTESA-N 0 0 668.397 7.741 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408576638 572261351 /nfs/dbraw/zinc/26/13/51/572261351.db2.gz XXODZYKMEFBLSE-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408576736 572261391 /nfs/dbraw/zinc/26/13/91/572261391.db2.gz YFTPLJHKAUZVGF-DEOSSOPVSA-N 0 0 589.899 6.689 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408577026 572261656 /nfs/dbraw/zinc/26/16/56/572261656.db2.gz ZKJHHMWDMHUNNU-UHFFFAOYSA-N 0 0 544.819 5.076 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F ZINC000408577073 572261772 /nfs/dbraw/zinc/26/17/72/572261772.db2.gz YNTXXELWZVEFBG-FQEVSTJZSA-N 0 0 513.363 6.456 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408577209 572261837 /nfs/dbraw/zinc/26/18/37/572261837.db2.gz YSSANSUOXSAHIT-VWLOTQADSA-N 0 0 541.029 5.935 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577261 572261862 /nfs/dbraw/zinc/26/18/62/572261862.db2.gz YWSLOSOKAVGLJG-HSZRJFAPSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC ZINC000408577406 572261956 /nfs/dbraw/zinc/26/19/56/572261956.db2.gz ZHVDKMYELCHICB-IBGZPJMESA-N 0 0 507.410 5.164 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408577416 572261985 /nfs/dbraw/zinc/26/19/85/572261985.db2.gz ZJHBRBHRTXMZNR-XMMPIXPASA-N 0 0 577.921 7.842 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccccc1 ZINC000408577807 572262419 /nfs/dbraw/zinc/26/24/19/572262419.db2.gz ZZGDNVMULDWZKP-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000408577798 572262421 /nfs/dbraw/zinc/26/24/21/572262421.db2.gz ZXWFVMTXKMAWBG-HSZRJFAPSA-N 0 0 573.444 6.175 40 5 KKBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000408583715 572265436 /nfs/dbraw/zinc/26/54/36/572265436.db2.gz WYSMWDCKPVJLAV-UHFFFAOYSA-N 0 0 586.265 6.993 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000408583835 572265497 /nfs/dbraw/zinc/26/54/97/572265497.db2.gz XGFBUQFFJACVJF-UHFFFAOYSA-N 0 0 501.240 5.893 40 5 KKBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000408584372 572265697 /nfs/dbraw/zinc/26/56/97/572265697.db2.gz OVYGGZNTTIKISI-UHFFFAOYSA-N 0 0 631.306 6.378 40 5 KKBBRN Cc1cc(Br)ccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408602827 572273402 /nfs/dbraw/zinc/27/34/02/572273402.db2.gz AXLDRSTUEHJSST-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c(Br)cc1OCc1ccc(I)cc1 ZINC000408603622 572273749 /nfs/dbraw/zinc/27/37/49/572273749.db2.gz GMNXVDHVJWLSCU-VMPITWQZSA-N 0 0 571.165 6.016 40 5 KKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408604648 572274026 /nfs/dbraw/zinc/27/40/26/572274026.db2.gz DOKHMYUEEIITBR-UHFFFAOYSA-N 0 0 573.702 6.313 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1 ZINC000408606537 572274974 /nfs/dbraw/zinc/27/49/74/572274974.db2.gz IMGQIWWJBUWZET-UHFFFAOYSA-N 0 0 522.314 5.928 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408608945 572275661 /nfs/dbraw/zinc/27/56/61/572275661.db2.gz NEUWHXAXDRJRHJ-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 ZINC000408610666 572276222 /nfs/dbraw/zinc/27/62/22/572276222.db2.gz RFAJDLQJDQWNRD-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 ZINC000408611519 572276595 /nfs/dbraw/zinc/27/65/95/572276595.db2.gz SVCLDRPARAMUBH-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408613589 572277331 /nfs/dbraw/zinc/27/73/31/572277331.db2.gz YMOBRHMBWDKLNE-UHFFFAOYSA-N 0 0 559.187 6.706 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408637543 572294469 /nfs/dbraw/zinc/29/44/69/572294469.db2.gz AHDHJGDLEBVERJ-UHFFFAOYSA-N 0 0 933.969 8.707 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408637764 572294583 /nfs/dbraw/zinc/29/45/83/572294583.db2.gz BBYBZIKNEYYIMJ-IHMJZKOGSA-N 0 0 576.005 5.702 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408637765 572294616 /nfs/dbraw/zinc/29/46/16/572294616.db2.gz BBYBZIKNEYYIMJ-LROUJFHJSA-N 0 0 576.005 5.702 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408638145 572294889 /nfs/dbraw/zinc/29/48/89/572294889.db2.gz BZAPNDQRHVIOQX-WSNNEZGNSA-N 0 0 610.450 6.355 40 5 KKBBRN CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639736 572296091 /nfs/dbraw/zinc/29/60/91/572296091.db2.gz YLFYBEWUQZCYFK-HSZRJFAPSA-N 0 0 574.586 5.513 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408640252 572296348 /nfs/dbraw/zinc/29/63/48/572296348.db2.gz HSHQADLACXMMOM-UHFFFAOYSA-N 0 0 618.385 5.657 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408640498 572296502 /nfs/dbraw/zinc/29/65/02/572296502.db2.gz IFQMHRQIHASAMW-LAMXGVLKSA-N 0 0 638.460 5.782 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408640860 572296720 /nfs/dbraw/zinc/29/67/20/572296720.db2.gz JDLMYZYYOKJFJH-IZZNHLLZSA-N 0 0 646.450 5.158 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408640836 572296726 /nfs/dbraw/zinc/29/67/26/572296726.db2.gz IZTGHCUOSUKSEG-CQLNOVPUSA-N 0 0 610.450 6.355 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)c1 ZINC000408641303 572296925 /nfs/dbraw/zinc/29/69/25/572296925.db2.gz CKQKZKJTPKRIJS-VWLOTQADSA-N 0 0 594.576 5.269 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408641552 572297078 /nfs/dbraw/zinc/29/70/78/572297078.db2.gz CQLOEOKJOXASAC-AGTZKDDFSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408641553 572297086 /nfs/dbraw/zinc/29/70/86/572297086.db2.gz CQLOEOKJOXASAC-QYVRTBTHSA-N 0 0 626.452 6.034 40 5 KKBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408642736 572297902 /nfs/dbraw/zinc/29/79/02/572297902.db2.gz FCUJLDVJNMZUDT-NQTLKNRLSA-N 0 0 573.989 5.478 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 ZINC000408643107 572298035 /nfs/dbraw/zinc/29/80/35/572298035.db2.gz FODKVSCJYYTFTC-XMMPIXPASA-N 0 0 594.576 5.694 40 5 KKBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000408643302 572298144 /nfs/dbraw/zinc/29/81/44/572298144.db2.gz ACGUYNITSLEIJN-UHFFFAOYSA-N 0 0 513.959 5.300 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643410 572298203 /nfs/dbraw/zinc/29/82/03/572298203.db2.gz PINNMSPKVGBFIM-UHFFFAOYSA-N 0 0 704.262 7.445 40 5 KKBBRN Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000408643478 572298226 /nfs/dbraw/zinc/29/82/26/572298226.db2.gz BFDUAPXEQMKWDW-UHFFFAOYSA-N 0 0 505.527 5.213 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408643848 572298399 /nfs/dbraw/zinc/29/83/99/572298399.db2.gz QBZFINSXLSVCPO-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408644320 572298544 /nfs/dbraw/zinc/29/85/44/572298544.db2.gz QXYGOPKGDQZTKS-IZZNHLLZSA-N 0 0 573.989 5.622 40 5 KKBBRN 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ZINC000408670082 572314511 /nfs/dbraw/zinc/31/45/11/572314511.db2.gz XWHZJVPKYXVDTB-XXSMREGWSA-N 0 0 627.436 5.732 40 5 KKBBRN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000408670298 572314595 /nfs/dbraw/zinc/31/45/95/572314595.db2.gz IMDJSRCLCGTAQS-UHFFFAOYSA-N 0 0 640.244 7.200 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5c(c(Cl)c(Cl)c(Cl)c5Cl)C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672041 572315865 /nfs/dbraw/zinc/31/58/65/572315865.db2.gz UXNLTJCNCAFYJM-GFCCVEGCSA-N 0 0 623.232 6.276 40 5 KKBBRN O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000408673862 572316939 /nfs/dbraw/zinc/31/69/39/572316939.db2.gz VWPCDODKGBCIAO-UHFFFAOYSA-N 0 0 640.244 7.200 40 5 KKBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cc(Cl)ccc1OC ZINC000408675099 572317794 /nfs/dbraw/zinc/31/77/94/572317794.db2.gz RNSBVKKTJVWCDV-UHFFFAOYSA-N 0 0 511.785 5.273 40 5 KKBBRN 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ZINC000408923523 1070241243 /nfs/dbraw/zinc/24/12/43/1070241243.db2.gz FSKNSSPLOTYEOB-CPOYULECSA-N 0 0 696.829 7.279 40 5 KKBBRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408924214 1070241700 /nfs/dbraw/zinc/24/17/00/1070241700.db2.gz DMFFFFGGXQEKDC-UHFFFAOYSA-N 0 0 614.529 5.164 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000408928144 1070250078 /nfs/dbraw/zinc/25/00/78/1070250078.db2.gz ZXWGAYJDCQXTJN-UNDLXJOSSA-N 0 0 564.732 6.215 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408930753 1070261311 /nfs/dbraw/zinc/26/13/11/1070261311.db2.gz BOSCXXDBPSCXAX-QRVIBDJDSA-N 0 0 659.458 5.770 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408933385 1070265979 /nfs/dbraw/zinc/26/59/79/1070265979.db2.gz JDZZHIZHDGVQLM-MSXFZWOLSA-N 0 0 630.448 6.149 40 5 KKBBRN 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032665 1070420001 /nfs/dbraw/zinc/42/00/01/1070420001.db2.gz MFOMAZAYADJNIL-PLMBTIQCSA-N 0 0 722.614 5.844 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409037571 1070440281 /nfs/dbraw/zinc/44/02/81/1070440281.db2.gz SWBQOEYGXFWYMM-BIWBSIMWSA-N 0 0 664.534 5.057 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409042494 1070447372 /nfs/dbraw/zinc/44/73/72/1070447372.db2.gz XRGFPCLCKAUBKU-BKUYFWCQSA-N 0 0 601.422 5.391 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050420 1070465206 /nfs/dbraw/zinc/46/52/06/1070465206.db2.gz VNFZTCSEIKTUHJ-ZTZDSMJYSA-N 0 0 835.513 6.305 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409061122 1070486671 /nfs/dbraw/zinc/48/66/71/1070486671.db2.gz VREDMRNBXNVVHU-UCQKPKSFSA-N 0 0 612.458 5.093 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104925 1070530341 /nfs/dbraw/zinc/53/03/41/1070530341.db2.gz LHFXQXUYHBIAOK-CJIXEESDSA-N 0 0 726.631 5.213 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409109713 1070535950 /nfs/dbraw/zinc/53/59/50/1070535950.db2.gz JSAGQJSDHKRIQU-UHFFFAOYSA-N 0 0 505.368 7.341 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409107538 1070541602 /nfs/dbraw/zinc/54/16/02/1070541602.db2.gz WSUFXPBOXRJHNN-RGVLZGJSSA-N 0 0 534.974 5.214 40 5 KKBBRN Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409114602 1070541690 /nfs/dbraw/zinc/54/16/90/1070541690.db2.gz KLECLPTTZWTOJI-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000409114400 1070549153 /nfs/dbraw/zinc/54/91/53/1070549153.db2.gz HKKFFOHRBVDIFQ-DHUJRADRSA-N 0 0 620.105 8.197 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2Br)N1Cc1ccccc1 ZINC000409147728 1070566243 /nfs/dbraw/zinc/56/62/43/1070566243.db2.gz VRSDYEKDPQIBOA-HHHXNRCGSA-N 0 0 528.406 6.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149576 1070568009 /nfs/dbraw/zinc/56/80/09/1070568009.db2.gz KLPCUVOZNHKUKI-ZMTYCLHQSA-N 0 0 777.491 7.272 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 ZINC000409153483 1070577839 /nfs/dbraw/zinc/57/78/39/1070577839.db2.gz DDOCBDHSHLQMJN-SRZZPIQSSA-N 0 0 538.469 5.109 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409154979 1070578767 /nfs/dbraw/zinc/57/87/67/1070578767.db2.gz PPGKOISYYDWITH-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409176330 1070591415 /nfs/dbraw/zinc/59/14/15/1070591415.db2.gz KTNNEQJRGGBTHM-UHFFFAOYSA-N 0 0 533.320 5.701 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000409180201 1070597270 /nfs/dbraw/zinc/59/72/70/1070597270.db2.gz UVNZDBVMIQMNNS-UHFFFAOYSA-N 0 0 620.570 7.802 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409180391 1070597455 /nfs/dbraw/zinc/59/74/55/1070597455.db2.gz RWJHXRGKVRFOQZ-JGCGQSQUSA-N 0 0 677.463 7.731 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409180731 1070597917 /nfs/dbraw/zinc/59/79/17/1070597917.db2.gz UVSHHFJYSASODR-UHFFFAOYSA-N 0 0 528.473 6.009 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409182036 1070599754 /nfs/dbraw/zinc/59/97/54/1070599754.db2.gz HPCQJSWMIUZGLC-UHFFFAOYSA-N 0 0 538.943 7.295 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181819 1070599772 /nfs/dbraw/zinc/59/97/72/1070599772.db2.gz FSIBRVFDZQSJQI-UHFFFAOYSA-N 0 0 577.760 5.712 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409182440 1070600254 /nfs/dbraw/zinc/60/02/54/1070600254.db2.gz KWFZZJGWTYEUBB-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409182084 1070600281 /nfs/dbraw/zinc/60/02/81/1070600281.db2.gz HZKVNIIDKVGJKQ-UHFFFAOYSA-N 0 0 586.940 5.889 40 5 KKBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O ZINC000409183094 1070601785 /nfs/dbraw/zinc/60/17/85/1070601785.db2.gz RDYUWZGYUXZNRJ-MHZLTWQESA-N 0 0 520.497 5.485 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409192537 1070610718 /nfs/dbraw/zinc/61/07/18/1070610718.db2.gz DSWYVXCWSUZUAK-SEXPAEGTSA-N 0 0 699.623 6.011 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409203969 1070629374 /nfs/dbraw/zinc/62/93/74/1070629374.db2.gz AHQOAWBCVHGYOM-MFKUBSTISA-N 0 0 691.482 6.554 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409226406 1070643846 /nfs/dbraw/zinc/64/38/46/1070643846.db2.gz NRFVGNVWNACRAJ-SRZZPIQSSA-N 0 0 538.354 5.038 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409219514 1070642343 /nfs/dbraw/zinc/64/23/43/1070642343.db2.gz NISLVIYKHXJYGB-ZVBGSRNCSA-N 0 0 595.914 6.873 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409224936 1070643018 /nfs/dbraw/zinc/64/30/18/1070643018.db2.gz OACBXKMTEWFZJR-AUEPDCJTSA-N 0 0 639.967 7.272 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409233333 1070658317 /nfs/dbraw/zinc/65/83/17/1070658317.db2.gz FPNUTPOOPZXSSD-UDWIEESQSA-N 0 0 575.746 5.529 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409248872 1070665645 /nfs/dbraw/zinc/66/56/45/1070665645.db2.gz HMXXKENFKMCVQE-WSDLNYQXSA-N 0 0 512.349 5.882 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409249698 1070666223 /nfs/dbraw/zinc/66/62/23/1070666223.db2.gz LAQGNCQUJYLXSB-FYJGNVAPSA-N 0 0 508.328 5.029 40 5 KKBBRN O=c1[nH]c(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2sc3c(c21)CCCC3 ZINC000409254157 1070687675 /nfs/dbraw/zinc/68/76/75/1070687675.db2.gz CWFQXBOHBCGNPJ-UHFFFAOYSA-N 0 0 566.355 7.425 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409263762 1070700492 /nfs/dbraw/zinc/70/04/92/1070700492.db2.gz BYJBJOZQDOQRGH-FSJBWODESA-N 0 0 603.531 6.098 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCc2ccccc2C1 ZINC000409269463 1070703809 /nfs/dbraw/zinc/70/38/09/1070703809.db2.gz BZXFODYAAYSRTN-WSDLNYQXSA-N 0 0 523.954 5.129 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409270065 1070705419 /nfs/dbraw/zinc/70/54/19/1070705419.db2.gz BTAITNXQJCBDCT-WYMPLXKRSA-N 0 0 601.559 6.706 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409274015 1070714020 /nfs/dbraw/zinc/71/40/20/1070714020.db2.gz SZHFZWIZYCIOAH-QRVIBDJDSA-N 0 0 538.965 5.755 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274601 1070716200 /nfs/dbraw/zinc/71/62/00/1070716200.db2.gz QEQWSBNFVLXEAA-ZVHZXABRSA-N 0 0 556.556 5.619 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409274844 1070717151 /nfs/dbraw/zinc/71/71/51/1070717151.db2.gz QINVMLAJLGVJHY-ZVHZXABRSA-N 0 0 597.443 6.254 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409275348 1070718796 /nfs/dbraw/zinc/71/87/96/1070718796.db2.gz IQFLBYSRSCCMBT-JJFYIABZSA-N 0 0 584.994 5.518 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br ZINC000409335684 1070855603 /nfs/dbraw/zinc/85/56/03/1070855603.db2.gz LMLBQLBACQDNID-UFFVCSGVSA-N 0 0 701.271 7.606 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409372157 1070895460 /nfs/dbraw/zinc/89/54/60/1070895460.db2.gz CSXNCPQFDQFUFJ-FSJBWODESA-N 0 0 562.560 5.896 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408906223 1070896210 /nfs/dbraw/zinc/89/62/10/1070896210.db2.gz BBLFNWXLWWFPLV-UHFFFAOYSA-N 0 0 510.753 5.064 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408909958 1070973240 /nfs/dbraw/zinc/97/32/40/1070973240.db2.gz HXFNVPHIXUEIJB-JESJEVRBSA-N 0 0 866.528 7.189 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408916451 1071000116 /nfs/dbraw/zinc/00/01/16/1071000116.db2.gz CKBAPWRBDIEIGN-YDZHTSKRSA-N 0 0 559.427 7.116 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408916220 1071003294 /nfs/dbraw/zinc/00/32/94/1071003294.db2.gz WELUDGBXMVBNBL-WJTYMRCSSA-N 0 0 684.774 6.246 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408915957 1071005926 /nfs/dbraw/zinc/00/59/26/1071005926.db2.gz SKBUVWUFFPFRPT-FWESEHMYSA-N 0 0 688.183 6.146 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408910613 1071067081 /nfs/dbraw/zinc/06/70/81/1071067081.db2.gz ISFGTAWJBWAKIB-POKSHJSXSA-N 0 0 656.116 6.156 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 ZINC000408926916 1071070378 /nfs/dbraw/zinc/07/03/78/1071070378.db2.gz VATIHWOLGSVQCS-PLQLAVCSSA-N 0 0 726.880 7.942 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408925084 1071079870 /nfs/dbraw/zinc/07/98/70/1071079870.db2.gz IYWHVAGUUVBCQG-HAVVHWLPSA-N 0 0 568.438 6.882 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000408925714 1071076766 /nfs/dbraw/zinc/07/67/66/1071076766.db2.gz SKAQGRSRLRFKML-QARYAGPDSA-N 0 0 610.113 5.730 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1 ZINC000409387276 1071077207 /nfs/dbraw/zinc/07/72/07/1071077207.db2.gz VLGWOGCJAJAHOE-KEBDBYFISA-N 0 0 746.273 5.999 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408925744 1071077258 /nfs/dbraw/zinc/07/72/58/1071077258.db2.gz SRPQNYKESIORKA-MFCBUNOESA-N 0 0 605.694 5.086 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408925745 1071077418 /nfs/dbraw/zinc/07/74/18/1071077418.db2.gz SRPQNYKESIORKA-SUAMDDGLSA-N 0 0 605.694 5.086 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408924802 1071080851 /nfs/dbraw/zinc/08/08/51/1071080851.db2.gz RGFKGOKZZSMYSX-QQMBNGEASA-N 0 0 638.771 5.820 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408920492 1071102167 /nfs/dbraw/zinc/10/21/67/1071102167.db2.gz JJOYVNIJIKHQIT-FVUNBJOLSA-N 0 0 652.729 5.035 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408920114 1071108916 /nfs/dbraw/zinc/10/89/16/1071108916.db2.gz HGXHJTKDUYVAAV-ZSJKCPIUSA-N 0 0 610.113 5.730 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408919041 1071123453 /nfs/dbraw/zinc/12/34/53/1071123453.db2.gz RXDWUTLNPRWCEJ-WYMPLXKRSA-N 0 0 559.427 7.116 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408918980 1071126363 /nfs/dbraw/zinc/12/63/63/1071126363.db2.gz RKNYBOTTYSXNIA-ZVBGSRNCSA-N 0 0 628.715 8.133 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917961 1071141805 /nfs/dbraw/zinc/14/18/05/1071141805.db2.gz DELZLAOSQSNHAW-YQORSWRPSA-N 0 0 509.743 5.151 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917862 1071143765 /nfs/dbraw/zinc/14/37/65/1071143765.db2.gz CBAXYXOUTGGGAB-SRZZPIQSSA-N 0 0 622.266 7.074 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917336 1071148430 /nfs/dbraw/zinc/14/84/30/1071148430.db2.gz RIVRLIUHQZYBOB-SRZZPIQSSA-N 0 0 549.819 7.371 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408928966 1071175128 /nfs/dbraw/zinc/17/51/28/1071175128.db2.gz NIOMTTPSKNNPOM-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408927762 1071194462 /nfs/dbraw/zinc/19/44/62/1071194462.db2.gz XSLQEUVGQAGXQJ-RISWYLRJSA-N 0 0 575.668 5.077 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408933992 1071199942 /nfs/dbraw/zinc/19/99/42/1071199942.db2.gz CDOMTJZXKIOGKL-OSOKTGDCSA-N 0 0 763.450 6.372 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934967 1071227200 /nfs/dbraw/zinc/22/72/00/1071227200.db2.gz DWBZVQHNTDPOOA-FUFNRSNVSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408933843 1071237513 /nfs/dbraw/zinc/23/75/13/1071237513.db2.gz AKLWLANILUSUQR-JLKMOJGBSA-N 0 0 643.718 5.081 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932628 1071248847 /nfs/dbraw/zinc/24/88/47/1071248847.db2.gz YJNLUXCFYUSAPV-UUYOSTAYSA-N 0 0 663.421 5.601 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408943533 1071259271 /nfs/dbraw/zinc/25/92/71/1071259271.db2.gz TUXXBBXVRVFZPR-VPHSIRQSSA-N 0 0 710.578 5.974 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408943475 1071259864 /nfs/dbraw/zinc/25/98/64/1071259864.db2.gz HOXYGJVQVJHAJK-AZJUONQGSA-N 0 0 676.751 5.768 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944293 1071284344 /nfs/dbraw/zinc/28/43/44/1071284344.db2.gz UUQZVWPCFFXFSC-UNDLXJOSSA-N 0 0 613.692 5.073 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941944 1071305350 /nfs/dbraw/zinc/30/53/50/1071305350.db2.gz KTXVLYIWLBJXSN-QDZBTNNNSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939851 1071320815 /nfs/dbraw/zinc/32/08/15/1071320815.db2.gz UNSMGMRIYVERGB-MGQZUQOPSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939096 1071325718 /nfs/dbraw/zinc/32/57/18/1071325718.db2.gz MVBNXLAOJNWQRB-QUNTYYFUSA-N 0 0 818.484 6.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938179 1071332734 /nfs/dbraw/zinc/33/27/34/1071332734.db2.gz KXEHRHBBMQLGNT-VPHSIRQSSA-N 0 0 727.033 6.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408938251 1071333812 /nfs/dbraw/zinc/33/38/12/1071333812.db2.gz LCKONQCWMLMKEL-QUNTYYFUSA-N 0 0 865.484 6.282 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408937410 1071341895 /nfs/dbraw/zinc/34/18/95/1071341895.db2.gz QPIVXCREJRMYJJ-UUYOSTAYSA-N 0 0 755.328 6.366 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408686870 1071348627 /nfs/dbraw/zinc/34/86/27/1071348627.db2.gz SNEVVYRIDPCOKY-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408952471 1071344441 /nfs/dbraw/zinc/34/44/41/1071344441.db2.gz WAQQWITXUZGKRE-PECNEJNESA-N 0 0 669.763 6.184 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684222 1071344600 /nfs/dbraw/zinc/34/46/00/1071344600.db2.gz NBFFAERILSBNFD-FZDFQQAASA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Br)cc1 ZINC000408686939 1071347126 /nfs/dbraw/zinc/34/71/26/1071347126.db2.gz SSNFWRJTKBXMJC-UHFFFAOYSA-N 0 0 646.064 6.507 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n21 ZINC000408950659 1071355134 /nfs/dbraw/zinc/35/51/34/1071355134.db2.gz UBVSYEUNJWIKDA-SZYVSPPHSA-N 0 0 678.561 5.445 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 ZINC000408950212 1071357598 /nfs/dbraw/zinc/35/75/98/1071357598.db2.gz MDTYLRIZKJUPKN-JJHILCALSA-N 0 0 701.599 5.869 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)cc1[N+](=O)[O-] ZINC000408685688 1071355356 /nfs/dbraw/zinc/35/53/56/1071355356.db2.gz QZWUTZPLJDDACV-UDPYREPESA-N 0 0 587.588 5.095 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408684304 1071360966 /nfs/dbraw/zinc/36/09/66/1071360966.db2.gz ORHGXXNOJAVLPH-IBGZPJMESA-N 0 0 577.204 5.319 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682842 1071368118 /nfs/dbraw/zinc/36/81/18/1071368118.db2.gz KABXUMCZEJPXIE-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682841 1071368154 /nfs/dbraw/zinc/36/81/54/1071368154.db2.gz KABXUMCZEJPXIE-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408947613 1071370262 /nfs/dbraw/zinc/37/02/62/1071370262.db2.gz QLZQMVWQISSQJD-ILLSWNIOSA-N 0 0 729.005 5.719 40 5 KKBBRN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408681823 1071372505 /nfs/dbraw/zinc/37/25/05/1071372505.db2.gz JOPUQQUHNDECQI-GOSISDBHSA-N 0 0 563.177 5.011 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21 ZINC000408956355 1071378641 /nfs/dbraw/zinc/37/86/41/1071378641.db2.gz RHCOZPWDHNZUQQ-ONOZBBEISA-N 0 0 708.587 5.454 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n21 ZINC000408958873 1071400258 /nfs/dbraw/zinc/40/02/58/1071400258.db2.gz XEWFCASUHVYICK-FZEVDNDPSA-N 0 0 708.587 5.454 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccccc1 ZINC000408689725 1071411043 /nfs/dbraw/zinc/41/10/43/1071411043.db2.gz YXHJXSWSEFIXKO-UHFFFAOYSA-N 0 0 567.168 5.745 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690107 1071406638 /nfs/dbraw/zinc/40/66/38/1071406638.db2.gz ZRKZAZMNMHJYGI-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408690170 1071407256 /nfs/dbraw/zinc/40/72/56/1071407256.db2.gz ZXGGXXUFUBIDJP-UHFFFAOYSA-N 0 0 795.858 7.261 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688421 1071421346 /nfs/dbraw/zinc/42/13/46/1071421346.db2.gz WGVIJMRSQNIUCW-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Br)cc1 ZINC000408688123 1071424358 /nfs/dbraw/zinc/42/43/58/1071424358.db2.gz VTMMKLKZWLIFRZ-UHFFFAOYSA-N 0 0 646.064 6.507 40 5 KKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704566 1071438276 /nfs/dbraw/zinc/43/82/76/1071438276.db2.gz PROFXGDHAGYMRV-HSZRJFAPSA-N 0 0 502.379 5.928 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000408712414 1071486505 /nfs/dbraw/zinc/48/65/05/1071486505.db2.gz ZJYZWKULPVFTBV-UHFFFAOYSA-N 0 0 524.382 5.129 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408986206 1071490801 /nfs/dbraw/zinc/49/08/01/1071490801.db2.gz ONTRMSHHJDAOSG-VCDQAHEJSA-N 0 0 677.360 6.424 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986482 1071490909 /nfs/dbraw/zinc/49/09/09/1071490909.db2.gz MFJFPLDYQHJIIA-QZVQSRICSA-N 0 0 756.631 6.203 40 5 KKBBRN CC(C)(C)c1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000408984850 1071506298 /nfs/dbraw/zinc/50/62/98/1071506298.db2.gz NCWFUYIOBCWZAH-UHFFFAOYSA-N 0 0 503.605 6.595 40 5 KKBBRN Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C)cc5)c4cc32)cc1 ZINC000408720415 1071511832 /nfs/dbraw/zinc/51/18/32/1071511832.db2.gz OASAJIHATOLUFS-UHFFFAOYSA-N 0 0 600.674 9.172 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408983767 1071514990 /nfs/dbraw/zinc/51/49/90/1071514990.db2.gz HQPLQYANIUIKDA-LLXISZFLSA-N 0 0 652.128 6.076 40 5 KKBBRN CCCCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCCCC)c3cc21 ZINC000408720765 1071541839 /nfs/dbraw/zinc/54/18/39/1071541839.db2.gz YXEHNFOUMYFOEX-UHFFFAOYSA-N 0 0 588.748 9.591 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 ZINC000408720721 1071542790 /nfs/dbraw/zinc/54/27/90/1071542790.db2.gz XQFYNYUSOILBAY-KNWZFJHESA-N 0 0 506.558 5.619 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000408720529 1071544077 /nfs/dbraw/zinc/54/40/77/1071544077.db2.gz SYXDGXYAGGCJTK-QKENHZOPSA-N 0 0 506.558 5.701 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5c(c(Br)c(Br)c(Br)c5Br)C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408979335 1071544183 /nfs/dbraw/zinc/54/41/83/1071544183.db2.gz BTBWYLASBRHMQT-UHFFFAOYSA-N 0 0 836.132 7.795 40 5 KKBBRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1 ZINC000408979387 1071544765 /nfs/dbraw/zinc/54/47/65/1071544765.db2.gz CGPNXXUWGNHBPX-UHFFFAOYSA-N 0 0 709.879 8.211 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733558 1071551202 /nfs/dbraw/zinc/55/12/02/1071551202.db2.gz JTKOZPBPBLHDBA-YVBHXKDBSA-N 0 0 674.529 6.297 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733608 1071551710 /nfs/dbraw/zinc/55/17/10/1071551710.db2.gz MDSCXCGBWZONQT-UTWPHBJQSA-N 0 0 705.914 5.233 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc3ccccc3c2)C4=O)ccc1Br ZINC000408994979 1071554711 /nfs/dbraw/zinc/55/47/11/1071554711.db2.gz KDQPHLOTLLLHQW-UHFFFAOYSA-N 0 0 566.411 7.825 40 5 KKBBRN Cc1cc(I)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736564 1071555080 /nfs/dbraw/zinc/55/50/80/1071555080.db2.gz CSNQUWWRPFOZFI-MHZLTWQESA-N 0 0 619.459 6.006 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736667 1071555736 /nfs/dbraw/zinc/55/57/36/1071555736.db2.gz DXTQWWMEMSYTQI-LJAQVGFWSA-N 0 0 532.600 5.883 40 5 KKBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000408736498 1071556090 /nfs/dbraw/zinc/55/60/90/1071556090.db2.gz CADPWVDYVCQBAU-HHHXNRCGSA-N 0 0 562.651 6.216 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994556 1071557393 /nfs/dbraw/zinc/55/73/93/1071557393.db2.gz HZEAYMDIGVKFLM-JESJEVRBSA-N 0 0 724.773 6.275 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736049 1071558238 /nfs/dbraw/zinc/55/82/38/1071558238.db2.gz CDMYYDZHEOUIQX-HZHHUVPKSA-N 0 0 641.746 5.808 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Br)c1 ZINC000408994242 1071558928 /nfs/dbraw/zinc/55/89/28/1071558928.db2.gz YLBVIKNTLLSZNE-DNQIBQKISA-N 0 0 683.587 5.823 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734688 1071564173 /nfs/dbraw/zinc/56/41/73/1071564173.db2.gz IOTHXAYLCGAEHI-HVDVVURSSA-N 0 0 643.718 5.083 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2O)C4=O)cc1C ZINC000408993782 1071564388 /nfs/dbraw/zinc/56/43/88/1071564388.db2.gz FSWXQKHFEXJFBA-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734620 1071565378 /nfs/dbraw/zinc/56/53/78/1071565378.db2.gz ZVLXEOACVICAPM-DKOMQPSQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733791 1071570217 /nfs/dbraw/zinc/57/02/17/1071570217.db2.gz RDKTYAGPVAKFQE-QUNTYYFUSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408734329 1071567728 /nfs/dbraw/zinc/56/77/28/1071567728.db2.gz WYWFBCAZQGXBNB-UPWSPCOFSA-N 0 0 694.947 6.642 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734107 1071567778 /nfs/dbraw/zinc/56/77/78/1071567778.db2.gz DBUINYRLMKGTJR-FUFNRSNVSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733983 1071569521 /nfs/dbraw/zinc/56/95/21/1071569521.db2.gz UDMNXTABEPGGCW-DKOMQPSQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733197 1071572360 /nfs/dbraw/zinc/57/23/60/1071572360.db2.gz GBYGPPLQKFRECA-PNQAETMRSA-N 0 0 744.620 6.625 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733198 1071572704 /nfs/dbraw/zinc/57/27/04/1071572704.db2.gz GBYGPPLQKFRECA-RIFKOAFWSA-N 0 0 744.620 6.625 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408732923 1071575795 /nfs/dbraw/zinc/57/57/95/1071575795.db2.gz BBYWPRLOACTPKF-DKOMQPSQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733137 1071574846 /nfs/dbraw/zinc/57/48/46/1071574846.db2.gz DYKAWYUDUIVTPE-XFBBMMLJSA-N 0 0 618.882 5.927 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408733019 1071576818 /nfs/dbraw/zinc/57/68/18/1071576818.db2.gz VBLUVMFKZVDQNW-QTMWPNOBSA-N 0 0 580.980 5.932 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408732468 1071577773 /nfs/dbraw/zinc/57/77/73/1071577773.db2.gz RVVMAVWXMYEPDE-SUFMYBPMSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732704 1071577801 /nfs/dbraw/zinc/57/78/01/1071577801.db2.gz XPROLDQACWHRRA-SFHGJLOMSA-N 0 0 794.839 6.679 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408732519 1071578144 /nfs/dbraw/zinc/57/81/44/1071578144.db2.gz WFECYPFAZPKODU-ZJTZAHLKSA-N 0 0 664.534 5.166 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408732249 1071579171 /nfs/dbraw/zinc/57/91/71/1071579171.db2.gz PYZJUSTVFVXUJI-MHTDFPPDSA-N 0 0 580.980 5.932 40 5 KKBBRN O=c1[nH]c(-c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408991469 1071579584 /nfs/dbraw/zinc/57/95/84/1071579584.db2.gz OHTCETHIDDYOCH-UHFFFAOYSA-N 0 0 517.596 5.368 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408730432 1071586968 /nfs/dbraw/zinc/58/69/68/1071586968.db2.gz GFJRNTKYEOJQSL-SBGIBTQXSA-N 0 0 590.544 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730099 1071589330 /nfs/dbraw/zinc/58/93/30/1071589330.db2.gz NBMLCAUYBCTQHG-ZJTZAHLKSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729279 1071592596 /nfs/dbraw/zinc/59/25/96/1071592596.db2.gz DDWLJEICIJFHBE-ZJTZAHLKSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729914 1071589792 /nfs/dbraw/zinc/58/97/92/1071589792.db2.gz KVMYTXQDINWYCF-VPHSIRQSSA-N 0 0 640.630 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729931 1071589867 /nfs/dbraw/zinc/58/98/67/1071589867.db2.gz FFWLUWOSDKBFSL-QXROAXCPSA-N 0 0 721.788 5.991 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408990418 1071590583 /nfs/dbraw/zinc/59/05/83/1071590583.db2.gz VSFVBFOBFJTBOD-FPWMYLJGSA-N 0 0 882.527 6.807 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729167 1071594033 /nfs/dbraw/zinc/59/40/33/1071594033.db2.gz AYKCECHLYAMNRH-MHZLTWQESA-N 0 0 531.565 5.681 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408988495 1071605239 /nfs/dbraw/zinc/60/52/39/1071605239.db2.gz DPRNDEPGQNUYBP-MDINZUHSSA-N 0 0 723.829 6.043 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408988314 1071606235 /nfs/dbraw/zinc/60/62/35/1071606235.db2.gz DFFACHMOKOVJFY-UHFFFAOYSA-N 0 0 611.730 7.864 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738941 1071606647 /nfs/dbraw/zinc/60/66/47/1071606647.db2.gz XEVLDAHPCXRCDB-XMMPIXPASA-N 0 0 587.414 5.799 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737271 1071614794 /nfs/dbraw/zinc/61/47/94/1071614794.db2.gz BFOGFUBTEUZQGJ-HZHHUVPKSA-N 0 0 636.730 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737274 1071614856 /nfs/dbraw/zinc/61/48/56/1071614856.db2.gz BFOGFUBTEUZQGJ-ISZRBDKASA-N 0 0 636.730 5.417 40 5 KKBBRN Cc1cc2nc3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n3c2cc1C ZINC000408741057 1071628384 /nfs/dbraw/zinc/62/83/84/1071628384.db2.gz NQKWWRLVBNYUOE-AJBULDERSA-N 0 0 568.658 7.107 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756855 1071634865 /nfs/dbraw/zinc/63/48/65/1071634865.db2.gz UJCLSGWCALOKRZ-UTAOYMJKSA-N 0 0 571.658 5.806 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000156 1071651109 /nfs/dbraw/zinc/65/11/09/1071651109.db2.gz MSIAAPPBQZKQQE-DFXMODJXSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408754675 1071649982 /nfs/dbraw/zinc/64/99/82/1071649982.db2.gz XACPMKLCEDBBCU-ZDGAQAAHSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409000280 1071650434 /nfs/dbraw/zinc/65/04/34/1071650434.db2.gz YHPIPPNQTRVVPE-DGVSTJFLSA-N 0 0 774.924 8.690 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408754270 1071652780 /nfs/dbraw/zinc/65/27/80/1071652780.db2.gz FXTLRCPJAFWJGI-FPWMYLJGSA-N 0 0 835.527 6.965 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754275 1071652818 /nfs/dbraw/zinc/65/28/18/1071652818.db2.gz GAGVQSZVJVQFLS-GONGWJOBSA-N 0 0 571.658 5.806 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408999639 1071652951 /nfs/dbraw/zinc/65/29/51/1071652951.db2.gz VGTCJUWJUIYUDJ-RWTNITNYSA-N 0 0 673.339 5.492 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408999735 1071653689 /nfs/dbraw/zinc/65/36/89/1071653689.db2.gz SEJBYTXWWNUVNR-OTHIGLTOSA-N 0 0 720.785 5.044 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408753495 1071656953 /nfs/dbraw/zinc/65/69/53/1071656953.db2.gz JFGZZUGZPHRDIN-JOHYPREOSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408997592 1071662658 /nfs/dbraw/zinc/66/26/58/1071662658.db2.gz HICWZFSYMKMSTL-GWXNNEATSA-N 0 0 709.802 5.735 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999039 1071657399 /nfs/dbraw/zinc/65/73/99/1071657399.db2.gz VXZDBMDSUBJWCV-IVWKLCDSSA-N 0 0 703.817 6.945 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409016223 1071668874 /nfs/dbraw/zinc/66/88/74/1071668874.db2.gz FLKYJARFMFEZRK-YDZHTSKRSA-N 0 0 609.433 5.175 40 5 KKBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409014701 1071674599 /nfs/dbraw/zinc/67/45/99/1071674599.db2.gz NTFRBJIBNKCXRA-OUXZYKPHSA-N 0 0 592.717 5.520 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 ZINC000408750558 1071674447 /nfs/dbraw/zinc/67/44/47/1071674447.db2.gz OTCPECLKXMYQGD-UHFFFAOYSA-N 0 0 516.387 6.604 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000408748974 1071687297 /nfs/dbraw/zinc/68/72/97/1071687297.db2.gz DCFLPWQCQXKOHB-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 ZINC000408748371 1071692112 /nfs/dbraw/zinc/69/21/12/1071692112.db2.gz CTHAJMFLZUJUAW-UHFFFAOYSA-N 0 0 534.619 5.222 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409008985 1071697250 /nfs/dbraw/zinc/69/72/50/1071697250.db2.gz PZHVIADYWPBNDW-PCLIKHOPSA-N 0 0 671.957 5.975 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409008942 1071697657 /nfs/dbraw/zinc/69/76/57/1071697657.db2.gz AODLUBZLYZYZSH-TWKHWXDSSA-N 0 0 608.676 5.712 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409007838 1071702180 /nfs/dbraw/zinc/70/21/80/1071702180.db2.gz SQVUZAJQOALTHY-HAHDFKILSA-N 0 0 616.433 6.066 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc3ccccc32)C4=O)ccc1Br ZINC000408758333 1071705489 /nfs/dbraw/zinc/70/54/89/1071705489.db2.gz XYYOBDIPFAKFNW-UHFFFAOYSA-N 0 0 537.369 7.440 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757706 1071709716 /nfs/dbraw/zinc/70/97/16/1071709716.db2.gz PAUIIRWNXYRESU-USDTVRPUSA-N 0 0 566.038 6.140 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758392 1071705925 /nfs/dbraw/zinc/70/59/25/1071705925.db2.gz ZFWKIAOIHRSFBB-YCMYYBHNSA-N 0 0 695.775 5.320 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000409026538 1071706384 /nfs/dbraw/zinc/70/63/84/1071706384.db2.gz RQTLIWRMIFKDOR-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c32)C1=O ZINC000408758154 1071706539 /nfs/dbraw/zinc/70/65/39/1071706539.db2.gz WCPWFKIHUGGKHF-UHFFFAOYSA-N 0 0 518.323 6.063 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408757510 1071712578 /nfs/dbraw/zinc/71/25/78/1071712578.db2.gz YSTRRSPJVFXCLL-PLNPHXOGSA-N 0 0 696.579 6.185 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757325 1071713030 /nfs/dbraw/zinc/71/30/30/1071713030.db2.gz MAMUBVLRBFSAMO-ISZRBDKASA-N 0 0 650.554 6.568 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408767126 1071715920 /nfs/dbraw/zinc/71/59/20/1071715920.db2.gz DRCBNEARZHDCGN-BUDNTJSZSA-N 0 0 600.483 6.794 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n32)c1 ZINC000408764994 1071726551 /nfs/dbraw/zinc/72/65/51/1071726551.db2.gz AZXVFJXEDNJESO-IMMOAUGXSA-N 0 0 696.741 6.163 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408763821 1071731110 /nfs/dbraw/zinc/73/11/10/1071731110.db2.gz RADVAVKJMOWIRY-FABFSAKGSA-N 0 0 672.115 5.774 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408762121 1071736802 /nfs/dbraw/zinc/73/68/02/1071736802.db2.gz NDGVCTDJMMPHOR-LHOSBTIMSA-N 0 0 707.761 5.449 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408762047 1071737524 /nfs/dbraw/zinc/73/75/24/1071737524.db2.gz CGRRUIGFNQLKQG-VEOKEAFVSA-N 0 0 929.527 6.649 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409036614 1071741137 /nfs/dbraw/zinc/74/11/37/1071741137.db2.gz RZAHEKRTRCEOBP-IWIPYMOSSA-N 0 0 569.433 6.360 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770008 1071745134 /nfs/dbraw/zinc/74/51/34/1071745134.db2.gz RTIZOTUKEWTDEG-JOBBGBBUSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409036231 1071745223 /nfs/dbraw/zinc/74/52/23/1071745223.db2.gz AXAVPDCOHMBXKV-MIUGUJGPSA-N 0 0 601.681 5.371 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409035989 1071745674 /nfs/dbraw/zinc/74/56/74/1071745674.db2.gz KUHCHCOGBCCMMA-DBHVVYFFSA-N 0 0 715.626 6.261 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409035615 1071749777 /nfs/dbraw/zinc/74/97/77/1071749777.db2.gz QIVGGJYJRUNYJM-MIUGUJGPSA-N 0 0 680.577 6.135 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000409034543 1071758512 /nfs/dbraw/zinc/75/85/12/1071758512.db2.gz HUYMNLYNXHIBCN-ITNPZBTBSA-N 0 0 692.588 5.837 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408773510 1071767018 /nfs/dbraw/zinc/76/70/18/1071767018.db2.gz RDAVTKDHGXESNW-LKWZWFHSSA-N 0 0 540.041 6.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033750 1071767308 /nfs/dbraw/zinc/76/73/08/1071767308.db2.gz LNFXOTGWZNGNBU-GWRYVSOYSA-N 0 0 767.611 5.752 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033101 1071773199 /nfs/dbraw/zinc/77/31/99/1071773199.db2.gz LARLNNCMJRHRTF-PANBRXNZSA-N 0 0 888.646 5.361 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S2)cc1 ZINC000408772189 1071775079 /nfs/dbraw/zinc/77/50/79/1071775079.db2.gz CBYDNAMMYWZNLU-PZDOZLBDSA-N 0 0 500.374 5.779 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1Cl ZINC000408771873 1071776766 /nfs/dbraw/zinc/77/67/66/1071776766.db2.gz KVZDWAQDQGSXQG-DBHVVYFFSA-N 0 0 715.025 7.230 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(C)C2=S)cc1 ZINC000409032436 1071780703 /nfs/dbraw/zinc/78/07/03/1071780703.db2.gz CBAVCFMAVGARJX-UCQKPKSFSA-N 0 0 647.345 6.702 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409032460 1071781186 /nfs/dbraw/zinc/78/11/86/1071781186.db2.gz CDWCDAOXUMCLJG-CRCYZHLCSA-N 0 0 670.513 5.657 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031921 1071783490 /nfs/dbraw/zinc/78/34/90/1071783490.db2.gz BMGJHPYIXIYEHV-GAPLDZIPSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)N(C)C2=S)cc1 ZINC000409031972 1071784115 /nfs/dbraw/zinc/78/41/15/1071784115.db2.gz IGBDEEKHWBWRQQ-HAHDFKILSA-N 0 0 568.449 5.939 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032017 1071784574 /nfs/dbraw/zinc/78/45/74/1071784574.db2.gz HVWWFBSCFNQDDK-PNQAETMRSA-N 0 0 673.744 5.090 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409030886 1071792698 /nfs/dbraw/zinc/79/26/98/1071792698.db2.gz IIKCFUBKCKAMRO-CRCYZHLCSA-N 0 0 642.517 6.062 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769035 1071796584 /nfs/dbraw/zinc/79/65/84/1071796584.db2.gz LFEMISGHIMATRS-ONOZBBEISA-N 0 0 630.509 6.802 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408769020 1071796655 /nfs/dbraw/zinc/79/66/55/1071796655.db2.gz KZJPXMBBPNMGHS-VSQRRKBNSA-N 0 0 662.724 5.378 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408768372 1071799814 /nfs/dbraw/zinc/79/98/14/1071799814.db2.gz FRMHYXYCPPSEAA-FWESEHMYSA-N 0 0 658.157 6.479 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)c1 ZINC000408768089 1071802784 /nfs/dbraw/zinc/80/27/84/1071802784.db2.gz HWFUMRVNADKYAS-QQMBNGEASA-N 0 0 884.490 6.579 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408768428 1071800888 /nfs/dbraw/zinc/80/08/88/1071800888.db2.gz IYNWPSQSHHJUGB-OIUASMPBSA-N 0 0 790.490 6.895 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)c1 ZINC000408767955 1071804194 /nfs/dbraw/zinc/80/41/94/1071804194.db2.gz HKLMTVGIQGNBAJ-YWEMJKAQSA-N 0 0 581.697 6.189 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408767745 1071808200 /nfs/dbraw/zinc/80/82/00/1071808200.db2.gz GUEDXKRYOVRWFL-AUPFZTMHSA-N 0 0 852.352 6.590 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029403 1071809313 /nfs/dbraw/zinc/80/93/13/1071809313.db2.gz AMTLQIDZFAMLMR-RBYDNKHHSA-N 0 0 797.637 6.364 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408781918 1071814881 /nfs/dbraw/zinc/81/48/81/1071814881.db2.gz FQYXAIQRCDFQSC-AOLPSBPOSA-N 0 0 713.335 6.545 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408781414 1071817441 /nfs/dbraw/zinc/81/74/41/1071817441.db2.gz SEAHXHTXAKCWGF-PNZYDNNZSA-N 0 0 640.537 5.110 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408781411 1071817518 /nfs/dbraw/zinc/81/75/18/1071817518.db2.gz SEAHXHTXAKCWGF-CBYYHRJHSA-N 0 0 640.537 5.110 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037528 1071822838 /nfs/dbraw/zinc/82/28/38/1071822838.db2.gz SQTNWMQRKCSERN-ZMTYCLHQSA-N 0 0 799.640 5.695 40 5 KKBBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408781089 1071819305 /nfs/dbraw/zinc/81/93/05/1071819305.db2.gz RKJAHTITXDNUAH-ORVZPOCUSA-N 0 0 584.492 6.497 40 5 KKBBRN COc1ccc(C(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1 ZINC000408781112 1071819972 /nfs/dbraw/zinc/81/99/72/1071819972.db2.gz AJTUBKDNSKVNJP-GSTVVXAASA-N 0 0 615.667 5.455 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045887 1071838981 /nfs/dbraw/zinc/83/89/81/1071838981.db2.gz JKGLIUQDMUOMNX-UQDCTOEPSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785827 1071855910 /nfs/dbraw/zinc/85/59/10/1071855910.db2.gz ZSJXBTIANSVWSI-POKSHJSXSA-N 0 0 649.656 5.202 40 5 KKBBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408784839 1071861899 /nfs/dbraw/zinc/86/18/99/1071861899.db2.gz UFBWINPNYZYPIH-ZGOFBEGVSA-N 0 0 505.596 5.735 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408784836 1071861966 /nfs/dbraw/zinc/86/19/66/1071861966.db2.gz UFBWINPNYZYPIH-BIWBSIMWSA-N 0 0 505.596 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042881 1071864320 /nfs/dbraw/zinc/86/43/20/1071864320.db2.gz DIFURXKUOBXSAM-LMWPEEHHSA-N 0 0 939.519 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408782843 1071874291 /nfs/dbraw/zinc/87/42/91/1071874291.db2.gz JZKSXNSBNAFXTO-SUAMDDGLSA-N 0 0 729.524 5.038 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041397 1071879363 /nfs/dbraw/zinc/87/93/63/1071879363.db2.gz VONILDYXQVGBLN-GWRYVSOYSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409040410 1071890289 /nfs/dbraw/zinc/89/02/89/1071890289.db2.gz IACXQXUIHUNIOW-AFHFHYJJSA-N 0 0 772.839 6.062 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)sc2=N1 ZINC000409038967 1071903641 /nfs/dbraw/zinc/90/36/41/1071903641.db2.gz GBGUYRHDTSMPBY-GVMLUORFSA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038316 1071908442 /nfs/dbraw/zinc/90/84/42/1071908442.db2.gz FFIBSWNPGTYTBJ-JHUDVDCUSA-N 0 0 752.640 5.852 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409055164 1071929585 /nfs/dbraw/zinc/92/95/85/1071929585.db2.gz WUCNSNZHPHGBEH-UUYOSTAYSA-N 0 0 712.303 6.928 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCOc1ccccc1 ZINC000409051375 1071951833 /nfs/dbraw/zinc/95/18/33/1071951833.db2.gz LJPUFXPBOVUCGE-HAHDFKILSA-N 0 0 510.955 5.943 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000409050789 1071955616 /nfs/dbraw/zinc/95/56/16/1071955616.db2.gz ZTHDBIRTFNJBIA-CRCYZHLCSA-N 0 0 731.419 6.280 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048519 1071971587 /nfs/dbraw/zinc/97/15/87/1071971587.db2.gz PAGOJOYIWHCUQV-IVQFASICSA-N 0 0 678.163 5.735 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409048000 1071974917 /nfs/dbraw/zinc/97/49/17/1071974917.db2.gz VOIWGRNEILRCLZ-IWIPYMOSSA-N 0 0 646.459 6.211 40 5 KKBBRN CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409066655 1072000811 /nfs/dbraw/zinc/00/08/11/1072000811.db2.gz LYJVDJKXLJFDMF-CXUHLZMHSA-N 0 0 542.205 5.755 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1Cl ZINC000409066939 1071998671 /nfs/dbraw/zinc/99/86/71/1071998671.db2.gz HZMXXCAAROTAQU-JAIQZWGSSA-N 0 0 624.694 7.593 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409064843 1072013224 /nfs/dbraw/zinc/01/32/24/1072013224.db2.gz FUNPNDNAEYVPEW-WSDLNYQXSA-N 0 0 570.371 5.567 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409062640 1072023778 /nfs/dbraw/zinc/02/37/78/1072023778.db2.gz YEURTYNPJPWPSD-QRVIBDJDSA-N 0 0 691.354 5.855 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1Cl ZINC000409060708 1072032738 /nfs/dbraw/zinc/03/27/38/1072032738.db2.gz UGPJIQDAFVNBHK-MTJSOVHGSA-N 0 0 545.798 6.831 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409076082 1072055239 /nfs/dbraw/zinc/05/52/39/1072055239.db2.gz XNKZRSYBDIREEG-SRZZPIQSSA-N 0 0 556.344 5.177 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409072594 1072082204 /nfs/dbraw/zinc/08/22/04/1072082204.db2.gz CTNNZCIJEQHRFS-WSDLNYQXSA-N 0 0 570.371 5.567 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409068689 1072108294 /nfs/dbraw/zinc/10/82/94/1072108294.db2.gz BOGRKOMQIFKFGC-KEBDBYFISA-N 0 0 514.321 5.587 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080632 1072122344 /nfs/dbraw/zinc/12/23/44/1072122344.db2.gz FLLUQUDOOHQJER-FHQMNNMHSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080744 1072120584 /nfs/dbraw/zinc/12/05/84/1072120584.db2.gz OARNREVCQVJYHU-GWRYVSOYSA-N 0 0 708.587 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080454 1072123761 /nfs/dbraw/zinc/12/37/61/1072123761.db2.gz DKGUSCFXKUKXED-GWRYVSOYSA-N 0 0 708.587 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079420 1072134501 /nfs/dbraw/zinc/13/45/01/1072134501.db2.gz FTPZZULEQJLTSL-KEQCBNTKSA-N 0 0 825.394 5.634 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079280 1072136766 /nfs/dbraw/zinc/13/67/66/1072136766.db2.gz ALPGPQMLOLEALC-ZCWBPALNSA-N 0 0 733.424 6.363 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409086252 1072168106 /nfs/dbraw/zinc/16/81/06/1072168106.db2.gz GONVAZUBUNTXHM-RYOBIWAXSA-N 0 0 629.764 5.551 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409086248 1072168140 /nfs/dbraw/zinc/16/81/40/1072168140.db2.gz GONVAZUBUNTXHM-IAOUMNOZSA-N 0 0 629.764 5.551 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000409086033 1072171999 /nfs/dbraw/zinc/17/19/99/1072171999.db2.gz YBAWITVGLNIDME-PQRKSKNISA-N 0 0 592.633 5.051 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409084198 1072191873 /nfs/dbraw/zinc/19/18/73/1072191873.db2.gz BWFGASYLIWPPIL-AFOHCANTSA-N 0 0 693.807 5.922 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409083890 1072194482 /nfs/dbraw/zinc/19/44/82/1072194482.db2.gz OUJVUGRMGPEPLU-PLMBTIQCSA-N 0 0 687.572 5.481 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409082878 1072205822 /nfs/dbraw/zinc/20/58/22/1072205822.db2.gz JWHQDRXLFJQXEL-KMBIYUNPSA-N 0 0 637.095 5.419 40 5 KKBBRN O=C1C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC(=S)N1C1CCCCC1 ZINC000409082412 1072210493 /nfs/dbraw/zinc/21/04/93/1072210493.db2.gz LZRIJOAVWVBSHG-NDENLUEZSA-N 0 0 595.313 6.089 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409081699 1072219464 /nfs/dbraw/zinc/21/94/64/1072219464.db2.gz HPIOUVFVZWTJIS-XGLZOBASSA-N 0 0 651.122 5.808 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409094903 1072243302 /nfs/dbraw/zinc/24/33/02/1072243302.db2.gz GFYOXVRBDDMIIN-XNOUSZLFSA-N 0 0 709.806 5.586 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094881 1072243481 /nfs/dbraw/zinc/24/34/81/1072243481.db2.gz GFMFYANNIQYGLH-MGXIGDRJSA-N 0 0 656.145 5.438 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409092245 1072263977 /nfs/dbraw/zinc/26/39/77/1072263977.db2.gz UMJXCAWXNOLBDV-BKUYFWCQSA-N 0 0 609.340 6.431 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409091227 1072273217 /nfs/dbraw/zinc/27/32/17/1072273217.db2.gz RVGMBPIRHZVFMK-DJTCXORXSA-N 0 0 825.394 5.634 40 5 KKBBRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409091648 1072269299 /nfs/dbraw/zinc/26/92/99/1072269299.db2.gz RBIDGNLFNMWQMV-UHFFFAOYSA-N 0 0 514.368 8.036 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409090997 1072276550 /nfs/dbraw/zinc/27/65/50/1072276550.db2.gz SDHSWKOSEKBBBL-OXDPQRGISA-N 0 0 657.148 6.087 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409090582 1072278286 /nfs/dbraw/zinc/27/82/86/1072278286.db2.gz RJNHAMBCKFCRRZ-QYTZQGLJSA-N 0 0 608.164 5.046 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409090052 1072283834 /nfs/dbraw/zinc/28/38/34/1072283834.db2.gz OIICZPBOPBSPEG-FQWZWQHVSA-N 0 0 730.622 5.556 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409087489 1072309146 /nfs/dbraw/zinc/30/91/46/1072309146.db2.gz CSFFUTZZQRDGJY-BKUYFWCQSA-N 0 0 703.340 6.116 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409100702 1072318097 /nfs/dbraw/zinc/31/80/97/1072318097.db2.gz WDKBXBGPNZICME-KBUNQKSPSA-N 0 0 773.915 8.298 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409101818 1072313399 /nfs/dbraw/zinc/31/33/99/1072313399.db2.gz YZXJVKRJRRZDMY-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409100013 1072323001 /nfs/dbraw/zinc/32/30/01/1072323001.db2.gz PEXBQLABPGSBTL-ZVHZXABRSA-N 0 0 659.458 5.852 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409099853 1072323397 /nfs/dbraw/zinc/32/33/97/1072323397.db2.gz MAAZYYKNPTYSKW-CBPRFPNYSA-N 0 0 679.780 5.572 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000409099998 1072322598 /nfs/dbraw/zinc/32/25/98/1072322598.db2.gz OZDKICBQRQYUOK-WGOQTCKBSA-N 0 0 577.615 5.646 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccccc1 ZINC000409336655 1072329352 /nfs/dbraw/zinc/32/93/52/1072329352.db2.gz USBKVMWMUCVHAX-NWIVXPOESA-N 0 0 530.536 5.578 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409098612 1072329524 /nfs/dbraw/zinc/32/95/24/1072329524.db2.gz QVLPSPPVAXUJKT-QPJBPQEWSA-N 0 0 651.539 5.043 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409098659 1072329914 /nfs/dbraw/zinc/32/99/14/1072329914.db2.gz RANIPJZLRPSTJD-VXBWEVHPSA-N 0 0 697.820 5.521 40 5 KKBBRN O=C(CSCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1)Nc1ccccc1 ZINC000409336161 1072332188 /nfs/dbraw/zinc/33/21/88/1072332188.db2.gz MSQKDFPAWVRUGG-UHFFFAOYSA-N 0 0 567.674 5.246 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409097765 1072335445 /nfs/dbraw/zinc/33/54/45/1072335445.db2.gz HGCWEVSPUKAXCS-IVQFASICSA-N 0 0 721.630 5.371 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097602 1072335850 /nfs/dbraw/zinc/33/58/50/1072335850.db2.gz MPFPJYPAFLICTQ-BFOKUZPWSA-N 0 0 667.769 5.590 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1 ZINC000409097722 1072336564 /nfs/dbraw/zinc/33/65/64/1072336564.db2.gz NJULSTSAMWTDNV-WGOQTCKBSA-N 0 0 536.544 5.167 40 5 KKBBRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409335288 1072338987 /nfs/dbraw/zinc/33/89/87/1072338987.db2.gz LDSVJDPLFXFBDZ-UHFFFAOYSA-N 0 0 550.647 5.542 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104926 1072352107 /nfs/dbraw/zinc/35/21/07/1072352107.db2.gz LHFXQXUYHBIAOK-ZDZYTSRMSA-N 0 0 726.631 5.213 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409103848 1072358921 /nfs/dbraw/zinc/35/89/21/1072358921.db2.gz XAIWNTQLBBSNJF-GIJQJNRQSA-N 0 0 510.446 5.394 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103230 1072361789 /nfs/dbraw/zinc/36/17/89/1072361789.db2.gz GAJVGRHPQRRHFZ-IVRZUQNJSA-N 0 0 691.593 6.740 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NC12CC3CC(CC(C3)C1)C2 ZINC000409332306 1072362389 /nfs/dbraw/zinc/36/23/89/1072362389.db2.gz DDLPFYVPSFLGQL-UHFFFAOYSA-N 0 0 548.646 5.182 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102623 1072365171 /nfs/dbraw/zinc/36/51/71/1072365171.db2.gz ZDCSFNDLVIBUHG-DFXMODJXSA-N 0 0 652.729 5.442 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 ZINC000409116122 1072375709 /nfs/dbraw/zinc/37/57/09/1072375709.db2.gz OKJIRPUSHBFKJW-ODLFYWEKSA-N 0 0 558.226 6.606 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409330740 1072375870 /nfs/dbraw/zinc/37/58/70/1072375870.db2.gz LTIIZJZNBXBTOM-DHRITJCHSA-N 0 0 615.586 7.213 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)O1 ZINC000409114308 1072381972 /nfs/dbraw/zinc/38/19/72/1072381972.db2.gz GQQWOTWDXJRSRN-XMMPIXPASA-N 0 0 579.403 6.002 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccccc3)c(=O)c2c1C ZINC000409113540 1072384386 /nfs/dbraw/zinc/38/43/86/1072384386.db2.gz GTYNBFCEPFJFQA-UHFFFAOYSA-N 0 0 505.543 6.786 40 5 KKBBRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112772 1072388835 /nfs/dbraw/zinc/38/88/35/1072388835.db2.gz CYLOWQIHBCKEAP-UHFFFAOYSA-N 0 0 505.796 6.909 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)O1 ZINC000409111240 1072393508 /nfs/dbraw/zinc/39/35/08/1072393508.db2.gz BOVGYJRXTXRUJX-DEOSSOPVSA-N 0 0 534.952 5.893 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br ZINC000409328025 1072395729 /nfs/dbraw/zinc/39/57/29/1072395729.db2.gz PENWXNVDWYHVEN-UUYOSTAYSA-N 0 0 647.301 6.374 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000409109839 1072398964 /nfs/dbraw/zinc/39/89/64/1072398964.db2.gz MLUXQIMVXPJOSN-UHFFFAOYSA-N 0 0 539.988 7.440 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1Cc1ccccc1 ZINC000409109634 1072399355 /nfs/dbraw/zinc/39/93/55/1072399355.db2.gz IMHSJBIWKIOQIM-UMSFTDKQSA-N 0 0 624.524 8.842 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000409108276 1072408039 /nfs/dbraw/zinc/40/80/39/1072408039.db2.gz ZEWDZCICNAWJQH-VULFUBBASA-N 0 0 656.511 6.409 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409108302 1072408048 /nfs/dbraw/zinc/40/80/48/1072408048.db2.gz ZTJCMUNRBYKUQV-LMVGNEGFSA-N 0 0 726.631 5.213 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409108282 1072408058 /nfs/dbraw/zinc/40/80/58/1072408058.db2.gz ZHRGQCFWQZBDKY-IMUCPKNRSA-N 0 0 658.802 5.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409336835 1072408116 /nfs/dbraw/zinc/40/81/16/1072408116.db2.gz WKHMXINTAXMXII-ZJTZAHLKSA-N 0 0 650.496 6.533 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108139 1072409112 /nfs/dbraw/zinc/40/91/12/1072409112.db2.gz VGOYPHXPBBCVND-DUCIMOQJSA-N 0 0 649.773 5.332 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107796 1072412765 /nfs/dbraw/zinc/41/27/65/1072412765.db2.gz QQASJGYNUFQQQE-PRPIGUFTSA-N 0 0 692.794 5.761 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409107772 1072412772 /nfs/dbraw/zinc/41/27/72/1072412772.db2.gz QJZYJFLZDXCBGB-RAWKODRKSA-N 0 0 648.770 5.847 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409122156 1072423087 /nfs/dbraw/zinc/42/30/87/1072423087.db2.gz ZXWIWACRGJMROA-JDKSNUEYSA-N 0 0 760.648 5.570 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409119577 1072434928 /nfs/dbraw/zinc/43/49/28/1072434928.db2.gz QDKOVYIQTWWURP-DHUJRADRSA-N 0 0 733.446 9.613 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409342846 1072447049 /nfs/dbraw/zinc/44/70/49/1072447049.db2.gz FPGWOPVTSLSHNX-UUYOSTAYSA-N 0 0 632.470 5.108 40 5 KKBBRN CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OC ZINC000409125745 1072458494 /nfs/dbraw/zinc/45/84/94/1072458494.db2.gz KBZYKYWCTNMNNJ-SSEXGKCCSA-N 0 0 523.589 6.364 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409124389 1072467020 /nfs/dbraw/zinc/46/70/20/1072467020.db2.gz HAZSREQNHUJXIT-LFVJCYFKSA-N 0 0 630.460 6.456 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409136449 1072478139 /nfs/dbraw/zinc/47/81/39/1072478139.db2.gz TVOJAFMFUCYYRV-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135207 1072487766 /nfs/dbraw/zinc/48/77/66/1072487766.db2.gz XPTGRRXVTHPVKD-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN CCOc1cc(CNc2ccccc2CC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409135016 1072488260 /nfs/dbraw/zinc/48/82/60/1072488260.db2.gz QSSARWIKYJEURO-UHFFFAOYSA-N 0 0 532.378 6.352 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(OC3CSC3)c2)N1Cc1ccccc1 ZINC000409135014 1072488276 /nfs/dbraw/zinc/48/82/76/1072488276.db2.gz PFFWANDEOOTTDH-SSEXGKCCSA-N 0 0 537.641 6.450 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 ZINC000409134739 1072490052 /nfs/dbraw/zinc/49/00/52/1072490052.db2.gz XLCUWBPIHGKKHC-XIFFEERXSA-N 0 0 541.607 7.749 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134059 1072495063 /nfs/dbraw/zinc/49/50/63/1072495063.db2.gz OOMJKZQPTWMPGH-NRFANRHFSA-N 0 0 589.516 5.443 40 5 KKBBRN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000409337371 1072495644 /nfs/dbraw/zinc/49/56/44/1072495644.db2.gz SWWMPDZLIFMKSO-CQSZACIVSA-N 0 0 548.602 5.523 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409131461 1072509947 /nfs/dbraw/zinc/50/99/47/1072509947.db2.gz VVPJLBPAIPXSHD-ZMOGYAJESA-N 0 0 575.481 6.952 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409129515 1072520125 /nfs/dbraw/zinc/52/01/25/1072520125.db2.gz GSTXNYJJFXGUNJ-QHCPKHFHSA-N 0 0 524.647 5.188 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409353287 1072522845 /nfs/dbraw/zinc/52/28/45/1072522845.db2.gz IOCVZELXHTWCRK-ZDUSSCGKSA-N 0 0 537.429 5.043 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353370 1072523188 /nfs/dbraw/zinc/52/31/88/1072523188.db2.gz JUGMTWUOSSYANB-FHQMNNMHSA-N 0 0 774.033 6.251 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCCc1ccccc1 ZINC000409127897 1072528776 /nfs/dbraw/zinc/52/87/76/1072528776.db2.gz DDLPLRUMIKXARZ-HZHRSRAPSA-N 0 0 726.330 7.052 40 5 KKBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409352181 1072530343 /nfs/dbraw/zinc/53/03/43/1072530343.db2.gz ZDUICQYESNELIX-IBGZPJMESA-N 0 0 571.874 5.541 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409144319 1072534453 /nfs/dbraw/zinc/53/44/53/1072534453.db2.gz JIUMONGTIFNBAS-GSTVVXAASA-N 0 0 676.824 6.464 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409144453 1072535351 /nfs/dbraw/zinc/53/53/51/1072535351.db2.gz YOUFDWYIEIRHDJ-SVXDAGRPSA-N 0 0 695.848 6.124 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409143153 1072542129 /nfs/dbraw/zinc/54/21/29/1072542129.db2.gz VCUOMXWIKMYNHR-QTTRZTASSA-N 0 0 640.772 5.402 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409349926 1072546204 /nfs/dbraw/zinc/54/62/04/1072546204.db2.gz WNCCRCBAZDDUSC-YDZHTSKRSA-N 0 0 738.354 6.615 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409141746 1072551539 /nfs/dbraw/zinc/55/15/39/1072551539.db2.gz JXCZEHHTIMRVJP-OAQYLSRUSA-N 0 0 575.489 5.135 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C ZINC000409140960 1072555403 /nfs/dbraw/zinc/55/54/03/1072555403.db2.gz HIBUTIYSKNMGRU-NRFANRHFSA-N 0 0 630.550 5.467 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409348079 1072559666 /nfs/dbraw/zinc/55/96/66/1072559666.db2.gz OXJPRDAGMJKNEX-WQNUKSJVSA-N 0 0 638.529 5.901 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409139954 1072561547 /nfs/dbraw/zinc/56/15/47/1072561547.db2.gz GTFMPMZQYNXWJX-DFXMODJXSA-N 0 0 695.823 6.207 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000409367061 1072572082 /nfs/dbraw/zinc/57/20/82/1072572082.db2.gz CEPXSEOJFHCPMV-UHFFFAOYSA-N 0 0 587.279 5.802 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409137339 1072575867 /nfs/dbraw/zinc/57/58/67/1072575867.db2.gz VUFYBLHTBUHWOI-XDHOZWIPSA-N 0 0 537.388 5.018 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409146000 1072584543 /nfs/dbraw/zinc/58/45/43/1072584543.db2.gz PKNKNHLAPWXQRZ-QZVQSRICSA-N 0 0 707.834 6.189 40 5 KKBBRN COc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000409363684 1072588672 /nfs/dbraw/zinc/58/86/72/1072588672.db2.gz MGRKWHOUGCLYNV-UHFFFAOYSA-N 0 0 504.280 5.039 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409156711 1072594686 /nfs/dbraw/zinc/59/46/86/1072594686.db2.gz LSGKVOQDZUZEQK-LQKURTRISA-N 0 0 668.124 6.858 40 5 KKBBRN CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409155880 1072597060 /nfs/dbraw/zinc/59/70/60/1072597060.db2.gz DUIIMSNSQFYWBR-CRCYZHLCSA-N 0 0 608.072 5.327 40 5 KKBBRN CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409361845 1072598942 /nfs/dbraw/zinc/59/89/42/1072598942.db2.gz QVPXZOXCIWMGBB-LJQANCHMSA-N 0 0 551.456 5.278 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409154550 1072604554 /nfs/dbraw/zinc/60/45/54/1072604554.db2.gz KIVFWCDGEOJMAV-FSJBWODESA-N 0 0 646.903 6.663 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409153868 1072609236 /nfs/dbraw/zinc/60/92/36/1072609236.db2.gz IXIOYACAEQOLOP-WYMPLXKRSA-N 0 0 704.939 6.450 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409359092 1072614728 /nfs/dbraw/zinc/61/47/28/1072614728.db2.gz MXPWVRKGPZIOMI-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl ZINC000409152991 1072614712 /nfs/dbraw/zinc/61/47/12/1072614712.db2.gz KNSDTXRDCSIMKV-UVHMKAGCSA-N 0 0 732.993 7.230 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl ZINC000409152879 1072615890 /nfs/dbraw/zinc/61/58/90/1072615890.db2.gz LMLXKSUAHGZXPM-ZVHZXABRSA-N 0 0 614.032 6.149 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409152746 1072616846 /nfs/dbraw/zinc/61/68/46/1072616846.db2.gz JWGJHRKDPJXLBX-WSDLNYQXSA-N 0 0 569.979 5.668 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409152435 1072618676 /nfs/dbraw/zinc/61/86/76/1072618676.db2.gz FJUFMFGXWRBWLS-YSMPRRRNSA-N 0 0 624.071 6.459 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409152272 1072619838 /nfs/dbraw/zinc/61/98/38/1072619838.db2.gz JXPFMRWCTAQBNB-OYKKKHCWSA-N 0 0 690.108 5.266 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409151641 1072622529 /nfs/dbraw/zinc/62/25/29/1072622529.db2.gz HOGYUNSYUUUJEF-UCQKPKSFSA-N 0 0 503.536 5.157 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl ZINC000409151608 1072623473 /nfs/dbraw/zinc/62/34/73/1072623473.db2.gz HJTASVBYAKXXGZ-UHFFFAOYSA-N 0 0 535.438 6.034 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409150542 1072628970 /nfs/dbraw/zinc/62/89/70/1072628970.db2.gz CPIXHNIATVUODT-YDZHTSKRSA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409150332 1072629472 /nfs/dbraw/zinc/62/94/72/1072629472.db2.gz BCIVMXABYPRVFI-FSJBWODESA-N 0 0 587.532 6.398 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 ZINC000409374750 1072634853 /nfs/dbraw/zinc/63/48/53/1072634853.db2.gz YKNQOPIOUDPSKU-SRZZPIQSSA-N 0 0 525.970 6.108 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c(C)c1 ZINC000409374159 1072639339 /nfs/dbraw/zinc/63/93/39/1072639339.db2.gz KHJSHNPIPROPFZ-WGARJPEWSA-N 0 0 554.628 6.198 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409373363 1072642277 /nfs/dbraw/zinc/64/22/77/1072642277.db2.gz HWJDQWVFXQMDNU-DHRITJCHSA-N 0 0 561.616 5.783 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409373344 1072642338 /nfs/dbraw/zinc/64/23/38/1072642338.db2.gz HHYMNFCYGJPXLR-WSDLNYQXSA-N 0 0 505.552 5.763 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2Br)N1Cc1ccccc1 ZINC000409147733 1072647555 /nfs/dbraw/zinc/64/75/55/1072647555.db2.gz VRSDYEKDPQIBOA-MHZLTWQESA-N 0 0 528.406 6.719 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409166110 1072650492 /nfs/dbraw/zinc/65/04/92/1072650492.db2.gz BNPPPCNMBLQUNX-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409165531 1072654148 /nfs/dbraw/zinc/65/41/48/1072654148.db2.gz ZDTRARDLDZKJQX-ZVHZXABRSA-N 0 0 551.552 5.387 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409165442 1072655041 /nfs/dbraw/zinc/65/50/41/1072655041.db2.gz YHFDGODUGSDOQU-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409164925 1072656453 /nfs/dbraw/zinc/65/64/53/1072656453.db2.gz PSKLIHAXDKMZQF-FMCGGJTJSA-N 0 0 618.045 5.008 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409369631 1072657445 /nfs/dbraw/zinc/65/74/45/1072657445.db2.gz DFTMQYIOQWYWGI-ZMFRSBBQSA-N 0 0 638.496 5.566 40 5 KKBBRN CC1CCN(C(=S)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)CC1 ZINC000409368997 1072661917 /nfs/dbraw/zinc/66/19/17/1072661917.db2.gz WRLUQOVCUFODNL-UHFFFAOYSA-N 0 0 528.266 6.106 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409163719 1072663679 /nfs/dbraw/zinc/66/36/79/1072663679.db2.gz WWIZWFYWJUSNAV-OYKKKHCWSA-N 0 0 641.058 6.076 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409163185 1072665399 /nfs/dbraw/zinc/66/53/99/1072665399.db2.gz NDXHOCHKGIRILZ-RGVLZGJSSA-N 0 0 529.983 5.905 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409162975 1072667470 /nfs/dbraw/zinc/66/74/70/1072667470.db2.gz KEQQHALZMKPTAE-DHRITJCHSA-N 0 0 655.041 6.581 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409162302 1072670557 /nfs/dbraw/zinc/67/05/57/1072670557.db2.gz ZTFQSYNVKRPLKP-QFEZKATASA-N 0 0 612.060 6.757 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409162329 1072671235 /nfs/dbraw/zinc/67/12/35/1072671235.db2.gz UFPIPAIRTWTSTP-ASUJOLEISA-N 0 0 605.672 5.439 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409161965 1072674624 /nfs/dbraw/zinc/67/46/24/1072674624.db2.gz XUSLRCMIUZDDID-BRJLIKDPSA-N 0 0 671.040 6.199 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409161333 1072678249 /nfs/dbraw/zinc/67/82/49/1072678249.db2.gz SYLOUGXLJJNCNP-XKZIYDEJSA-N 0 0 554.049 6.691 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409387203 1072682545 /nfs/dbraw/zinc/68/25/45/1072682545.db2.gz UQWHZTSVBGVVQZ-SRZZPIQSSA-N 0 0 558.952 5.452 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000409159775 1072687178 /nfs/dbraw/zinc/68/71/78/1072687178.db2.gz ULRFTQKCNRQKGC-SFHVURJKSA-N 0 0 556.954 5.243 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409159529 1072687651 /nfs/dbraw/zinc/68/76/51/1072687651.db2.gz QVPONDWNBXIBTK-WYMPLXKRSA-N 0 0 612.016 5.297 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409385964 1072689149 /nfs/dbraw/zinc/68/91/49/1072689149.db2.gz MVAPMVVGPJNCRW-WSDLNYQXSA-N 0 0 572.979 5.842 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl ZINC000409159214 1072689163 /nfs/dbraw/zinc/68/91/63/1072689163.db2.gz VITCWYFKNQLSDY-BRJLIKDPSA-N 0 0 756.937 8.454 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 ZINC000409385564 1072692038 /nfs/dbraw/zinc/69/20/38/1072692038.db2.gz LJBGTVRJOYDQCB-KEBDBYFISA-N 0 0 652.273 6.315 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409158503 1072693249 /nfs/dbraw/zinc/69/32/49/1072693249.db2.gz RHRJGOZQZXVULL-FOKLQQMPSA-N 0 0 634.302 6.944 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)ccc1Cl ZINC000409157455 1072698187 /nfs/dbraw/zinc/69/81/87/1072698187.db2.gz MTIRNKXUSDVJFK-MFKUBSTISA-N 0 0 545.016 6.498 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000409157380 1072699249 /nfs/dbraw/zinc/69/92/49/1072699249.db2.gz VGVGWSZCZZEJKU-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409167117 1072700243 /nfs/dbraw/zinc/70/02/43/1072700243.db2.gz HMRDFMIJAGJDAC-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409166363 1072703773 /nfs/dbraw/zinc/70/37/73/1072703773.db2.gz FFAYZKZHQAQBLG-UHFFFAOYSA-N 0 0 693.587 6.162 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409177158 1072708989 /nfs/dbraw/zinc/70/89/89/1072708989.db2.gz CIOSWMNYQFOEHC-UHFFFAOYSA-N 0 0 520.881 7.098 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176610 1072710177 /nfs/dbraw/zinc/71/01/77/1072710177.db2.gz SOGFKXPNEKWOCZ-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000409176259 1072712579 /nfs/dbraw/zinc/71/25/79/1072712579.db2.gz ZIMUOROWRCKGOV-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409176113 1072713304 /nfs/dbraw/zinc/71/33/04/1072713304.db2.gz HRLPJBQECYZKMV-YDZHTSKRSA-N 0 0 548.533 5.533 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174411 1072721675 /nfs/dbraw/zinc/72/16/75/1072721675.db2.gz SJRBRITWZPXBLO-UHFFFAOYSA-N 0 0 714.005 6.507 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F ZINC000409173961 1072723763 /nfs/dbraw/zinc/72/37/63/1072723763.db2.gz QGINTHNMVGRSRP-XMMPIXPASA-N 0 0 500.429 5.500 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409173868 1072725131 /nfs/dbraw/zinc/72/51/31/1072725131.db2.gz OIXZTFXOKOSVAF-UHFFFAOYSA-N 0 0 567.381 7.068 40 5 KKBBRN Cc1cc2nc3s/c(=C\c4cc(Br)ccc4OCc4cccc([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000409393127 1072725308 /nfs/dbraw/zinc/72/53/08/1072725308.db2.gz PDOYYCDMFVDZTR-FMCGGJTJSA-N 0 0 536.407 5.323 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409173282 1072728560 /nfs/dbraw/zinc/72/85/60/1072728560.db2.gz OMKXQBZPVKQHNP-RGVLZGJSSA-N 0 0 514.321 5.587 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172967 1072729823 /nfs/dbraw/zinc/72/98/23/1072729823.db2.gz JUXVWSSNTBDBIL-UHFFFAOYSA-N 0 0 592.379 6.071 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409388930 1072735142 /nfs/dbraw/zinc/73/51/42/1072735142.db2.gz OCTQFROPIBTLTJ-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCc2ccccc2C1 ZINC000409388702 1072736669 /nfs/dbraw/zinc/73/66/69/1072736669.db2.gz VRIHANQEDWEBMJ-QFEZKATASA-N 0 0 655.470 5.400 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409171891 1072738152 /nfs/dbraw/zinc/73/81/52/1072738152.db2.gz CPGYPCYAGTYRPB-LJAQVGFWSA-N 0 0 537.959 6.882 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)cc1 ZINC000409171294 1072741773 /nfs/dbraw/zinc/74/17/73/1072741773.db2.gz ZPMMKRAIYVLVCH-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409171312 1072741907 /nfs/dbraw/zinc/74/19/07/1072741907.db2.gz ZTDLTCLKKNAPTL-GZIVZEMBSA-N 0 0 666.384 6.572 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 ZINC000409170946 1072742860 /nfs/dbraw/zinc/74/28/60/1072742860.db2.gz XHYBAVPIHAEZTF-SRZZPIQSSA-N 0 0 538.469 5.109 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409170203 1072746097 /nfs/dbraw/zinc/74/60/97/1072746097.db2.gz SYHVSVBBOXTGDJ-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409169317 1072750289 /nfs/dbraw/zinc/75/02/89/1072750289.db2.gz PJTATSCIAMNPAU-JJFYIABZSA-N 0 0 602.850 6.265 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409398751 1072751560 /nfs/dbraw/zinc/75/15/60/1072751560.db2.gz GGSDIQGZFZRBQQ-ZDLGFXPLSA-N 0 0 634.823 5.461 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409169261 1072751587 /nfs/dbraw/zinc/75/15/87/1072751587.db2.gz PBTUTPIAMOPXPY-FOKLQQMPSA-N 0 0 619.599 6.811 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc4ccccc43)C2=O)o1 ZINC000409397977 1072753329 /nfs/dbraw/zinc/75/33/29/1072753329.db2.gz AOWORCFLLILQEA-UUYOSTAYSA-N 0 0 606.385 5.562 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168323 1072755561 /nfs/dbraw/zinc/75/55/61/1072755561.db2.gz QDPOJCVXNYSREU-UHFFFAOYSA-N 0 0 673.169 5.817 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402583 1072776314 /nfs/dbraw/zinc/77/63/14/1072776314.db2.gz XAPWAQFEAFKEEN-LSCVHKIXSA-N 0 0 580.764 5.607 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 ZINC000409183706 1072782605 /nfs/dbraw/zinc/78/26/05/1072782605.db2.gz SFEGAFSGDBHXPE-AREMUKBSSA-N 0 0 515.547 5.604 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 ZINC000409183457 1072782614 /nfs/dbraw/zinc/78/26/14/1072782614.db2.gz SHVQJXQYOOJFPM-MUUNZHRXSA-N 0 0 534.524 5.793 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409183469 1072782999 /nfs/dbraw/zinc/78/29/99/1072782999.db2.gz SPOBNZKVSYMEKM-HHHXNRCGSA-N 0 0 615.938 5.747 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409183184 1072784840 /nfs/dbraw/zinc/78/48/40/1072784840.db2.gz SLIRIBDPWZWTFD-FSJBWODESA-N 0 0 650.429 7.406 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000409183279 1072785763 /nfs/dbraw/zinc/78/57/63/1072785763.db2.gz RDISMOULZMNQOP-UHFFFAOYSA-N 0 0 563.733 5.404 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182853 1072788518 /nfs/dbraw/zinc/78/85/18/1072788518.db2.gz PFLPPNDFLWJBNH-IPAKXIGBSA-N 0 0 634.110 5.256 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409182521 1072790203 /nfs/dbraw/zinc/79/02/03/1072790203.db2.gz MDJSTXSGYJAXPV-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182422 1072790626 /nfs/dbraw/zinc/79/06/26/1072790626.db2.gz MAPAZTPDOVQKJM-PIXWUVMMSA-N 0 0 604.084 5.247 40 5 KKBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409182142 1072792092 /nfs/dbraw/zinc/79/20/92/1072792092.db2.gz IJKFTUHZVIQUNX-BHVANESWSA-N 0 0 809.762 6.587 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409182211 1072792387 /nfs/dbraw/zinc/79/23/87/1072792387.db2.gz JJZMZLPMHGUACH-AREMUKBSSA-N 0 0 608.912 6.849 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181027 1072800727 /nfs/dbraw/zinc/80/07/27/1072800727.db2.gz YRPZPVSOPVLODD-UHFFFAOYSA-N 0 0 655.830 7.196 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409180705 1072802064 /nfs/dbraw/zinc/80/20/64/1072802064.db2.gz URKAZROBTPNMBI-UHFFFAOYSA-N 0 0 504.804 5.425 40 5 KKBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409180609 1072803187 /nfs/dbraw/zinc/80/31/87/1072803187.db2.gz YADOFGABTPOJQJ-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180418 1072803786 /nfs/dbraw/zinc/80/37/86/1072803786.db2.gz SFZVTGIWWVGALI-UHFFFAOYSA-N 0 0 520.475 5.347 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180451 1072803957 /nfs/dbraw/zinc/80/39/57/1072803957.db2.gz SZDXKIIDAOBXDE-AREMUKBSSA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180497 1072804493 /nfs/dbraw/zinc/80/44/93/1072804493.db2.gz YPQHSURLKCNUNE-SANMLTNESA-N 0 0 535.961 5.862 40 5 KKBBRN CCOc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409180284 1072804877 /nfs/dbraw/zinc/80/48/77/1072804877.db2.gz XUSJRFIXBKEKBV-HKBQPEDESA-N 0 0 532.552 6.990 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180175 1072805768 /nfs/dbraw/zinc/80/57/68/1072805768.db2.gz PUXVFRFXEUHGDO-XDSPJLLDSA-N 0 0 727.638 6.047 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180113 1072805925 /nfs/dbraw/zinc/80/59/25/1072805925.db2.gz VUIPCIWUKITHBQ-UHFFFAOYSA-N 0 0 659.142 5.508 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180179 1072806371 /nfs/dbraw/zinc/80/63/71/1072806371.db2.gz PUXVFRFXEUHGDO-ZPGRZCPFSA-N 0 0 727.638 6.047 40 5 KKBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180062 1072806988 /nfs/dbraw/zinc/80/69/88/1072806988.db2.gz VAKKRQOXUICAQI-UHFFFAOYSA-N 0 0 601.911 5.789 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000409179833 1072807504 /nfs/dbraw/zinc/80/75/04/1072807504.db2.gz UCPFPLGUACJJBJ-FMCGGJTJSA-N 0 0 505.552 5.763 40 5 KKBBRN CCOc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 ZINC000409179021 1072813605 /nfs/dbraw/zinc/81/36/05/1072813605.db2.gz JJCJBQXCZXREMO-UHFFFAOYSA-N 0 0 520.541 7.358 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409179049 1072813702 /nfs/dbraw/zinc/81/37/02/1072813702.db2.gz OXKLJMDYETYIAM-TUUBTQOTSA-N 0 0 572.184 5.144 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409408683 1072815389 /nfs/dbraw/zinc/81/53/89/1072815389.db2.gz KSSQLNWIPMGCAF-JNJFRLMHSA-N 0 0 675.242 5.211 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409178268 1072818328 /nfs/dbraw/zinc/81/83/28/1072818328.db2.gz LSOUEKZJMAWINF-UHFFFAOYSA-N 0 0 572.551 6.222 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O ZINC000409178038 1072818849 /nfs/dbraw/zinc/81/88/49/1072818849.db2.gz DNWYVBBCXJKJEF-AREMUKBSSA-N 0 0 574.467 6.195 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000409177849 1072820948 /nfs/dbraw/zinc/82/09/48/1072820948.db2.gz IDTWOJAJHUSIAZ-AREMUKBSSA-N 0 0 514.515 6.435 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000409177851 1072820994 /nfs/dbraw/zinc/82/09/94/1072820994.db2.gz IDTWOJAJHUSIAZ-SANMLTNESA-N 0 0 514.515 6.435 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177887 1072821450 /nfs/dbraw/zinc/82/14/50/1072821450.db2.gz CPAMUBFCVDCQCD-HHHXNRCGSA-N 0 0 581.493 5.093 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409177660 1072821921 /nfs/dbraw/zinc/82/19/21/1072821921.db2.gz HONDXCMIQXQOQU-UHFFFAOYSA-N 0 0 547.501 6.712 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409192481 1072826256 /nfs/dbraw/zinc/82/62/56/1072826256.db2.gz DDPNTMLHCZYOOG-PQRKSKNISA-N 0 0 733.297 6.511 40 5 KKBBRN COc1cc(CNc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196770 1072829394 /nfs/dbraw/zinc/82/93/94/1072829394.db2.gz XPLMAQKJTFCOBW-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409196820 1072829472 /nfs/dbraw/zinc/82/94/72/1072829472.db2.gz ZDBPUROOWKTLOU-AUEPDCJTSA-N 0 0 632.876 6.273 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409196133 1072833929 /nfs/dbraw/zinc/83/39/29/1072833929.db2.gz XFFXMJATGAQWIO-GRSHGNNSSA-N 0 0 513.289 5.474 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409195027 1072839073 /nfs/dbraw/zinc/83/90/73/1072839073.db2.gz QURNYUMXEVXUKY-IYCJABBDSA-N 0 0 793.283 6.656 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1 ZINC000409194852 1072840024 /nfs/dbraw/zinc/84/00/24/1072840024.db2.gz DAOPOJFKOYIKMK-UHFFFAOYSA-N 0 0 561.057 7.618 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409194616 1072841937 /nfs/dbraw/zinc/84/19/37/1072841937.db2.gz PSWJUSHYXPKCJS-VBLHKXDKSA-N 0 0 588.164 5.676 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409193738 1072848357 /nfs/dbraw/zinc/84/83/57/1072848357.db2.gz LUFRQVBHWMFNAN-CIAFOILYSA-N 0 0 592.798 6.673 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409193140 1072851097 /nfs/dbraw/zinc/85/10/97/1072851097.db2.gz CJCSDNCHVMUAEL-GRSHGNNSSA-N 0 0 617.162 5.592 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000409193198 1072851515 /nfs/dbraw/zinc/85/15/15/1072851515.db2.gz FCXPYSLEKSTWMA-CGXYXDBZSA-N 0 0 583.778 5.983 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409192990 1072852631 /nfs/dbraw/zinc/85/26/31/1072852631.db2.gz HSXOALAWIAWIFL-LRAMOIDDSA-N 0 0 758.065 6.612 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192876 1072853653 /nfs/dbraw/zinc/85/36/53/1072853653.db2.gz FMOQOEZAYQWBNU-NULZLWRNSA-N 0 0 735.675 6.831 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O ZINC000409192667 1072854074 /nfs/dbraw/zinc/85/40/74/1072854074.db2.gz DSOAGMNDQBPKSD-PETUHQMUSA-N 0 0 686.265 6.017 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409192546 1072854975 /nfs/dbraw/zinc/85/49/75/1072854975.db2.gz YPFCFBILFQWIHN-YRSDHNRQSA-N 0 0 753.715 7.060 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409192279 1072856250 /nfs/dbraw/zinc/85/62/50/1072856250.db2.gz WEKBFWRBLIHOBG-OEAKJJBVSA-N 0 0 510.955 6.467 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409191816 1072859677 /nfs/dbraw/zinc/85/96/77/1072859677.db2.gz NZKDNSAAUYLKOW-NCHPMYSESA-N 0 0 564.304 5.229 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409191397 1072863116 /nfs/dbraw/zinc/86/31/16/1072863116.db2.gz GMJFNUXDDINXCN-BXMULHQWSA-N 0 0 780.716 6.272 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191095 1072864773 /nfs/dbraw/zinc/86/47/73/1072864773.db2.gz SEWBANRXOZSBOG-ZTJHJZSNSA-N 0 0 830.570 7.501 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409191120 1072865189 /nfs/dbraw/zinc/86/51/89/1072865189.db2.gz SPPPDJUYFHHQNM-JAIQZWGSSA-N 0 0 586.192 5.992 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409190787 1072866993 /nfs/dbraw/zinc/86/69/93/1072866993.db2.gz QTYFWFBLKCRPAN-DWVIGKKNSA-N 0 0 553.752 5.974 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190499 1072868609 /nfs/dbraw/zinc/86/86/09/1072868609.db2.gz YOHSUHFULUMGNP-BUDNTJSZSA-N 0 0 786.119 7.392 40 5 KKBBRN Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409189860 1072874456 /nfs/dbraw/zinc/87/44/56/1072874456.db2.gz UKFSRQPNKBIVPY-JAIQZWGSSA-N 0 0 586.192 5.992 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409189482 1072875745 /nfs/dbraw/zinc/87/57/45/1072875745.db2.gz GZQJPVHFCAATJO-GAPLDZIPSA-N 0 0 820.136 7.749 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409189355 1072876878 /nfs/dbraw/zinc/87/68/78/1072876878.db2.gz JXUJCGPTMFXCKS-NNAGEYCMSA-N 0 0 717.229 5.798 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC ZINC000409188433 1072882463 /nfs/dbraw/zinc/88/24/63/1072882463.db2.gz HODLQYQWTRZMEO-YSWSIGQQSA-N 0 0 607.413 6.118 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409188035 1072884033 /nfs/dbraw/zinc/88/40/33/1072884033.db2.gz FGYQQHXDRJDDGU-QHCWNQLDSA-N 0 0 800.706 7.042 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409206737 1072889886 /nfs/dbraw/zinc/88/98/86/1072889886.db2.gz WTOQXYYPDBGCJC-VXLYETTFSA-N 0 0 603.369 6.548 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409206499 1072892419 /nfs/dbraw/zinc/89/24/19/1072892419.db2.gz KEXBDAPQUXWGIG-DJKKODMXSA-N 0 0 524.473 5.641 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409205714 1072896586 /nfs/dbraw/zinc/89/65/86/1072896586.db2.gz JOOAFJOVNLVJNC-DJKKODMXSA-N 0 0 524.473 5.641 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409205741 1072896660 /nfs/dbraw/zinc/89/66/60/1072896660.db2.gz FLZSFDVSLHCEEY-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205729 1072896744 /nfs/dbraw/zinc/89/67/44/1072896744.db2.gz JRWDRCROMHKGSD-NGZBARDMSA-N 0 0 640.452 5.555 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409205607 1072897571 /nfs/dbraw/zinc/89/75/71/1072897571.db2.gz RLVNDGOGVIFCRO-FSJBWODESA-N 0 0 598.431 5.620 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205212 1072898939 /nfs/dbraw/zinc/89/89/39/1072898939.db2.gz GLTCBCQYKHYXMF-SRZZPIQSSA-N 0 0 538.354 5.038 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(F)cc3)cc2Br)cc1 ZINC000409205004 1072901572 /nfs/dbraw/zinc/90/15/72/1072901572.db2.gz FFQPSEGZINBXBP-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409204408 1072905062 /nfs/dbraw/zinc/90/50/62/1072905062.db2.gz GVIUTJOEIBBQLW-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409204205 1072906082 /nfs/dbraw/zinc/90/60/82/1072906082.db2.gz CMWJAYFZQUDFRD-ODCIPOBUSA-N 0 0 735.716 8.259 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409201929 1072916102 /nfs/dbraw/zinc/91/61/02/1072916102.db2.gz RFLPFLYOFWGGBQ-ZVBGSRNCSA-N 0 0 656.820 7.497 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409201303 1072918226 /nfs/dbraw/zinc/91/82/26/1072918226.db2.gz LINAYFQWFULPFQ-ZVHZXABRSA-N 0 0 503.967 6.801 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409199705 1072924884 /nfs/dbraw/zinc/92/48/84/1072924884.db2.gz JFDAQOBCNPONMI-YDZHTSKRSA-N 0 0 584.006 6.058 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409199233 1072925927 /nfs/dbraw/zinc/92/59/27/1072925927.db2.gz AGWLYQWFUSMLAZ-FOKLQQMPSA-N 0 0 589.851 7.229 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409198903 1072927968 /nfs/dbraw/zinc/92/79/68/1072927968.db2.gz GEHVEARAXJEGBF-OEAKJJBVSA-N 0 0 613.446 5.129 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409197734 1072934653 /nfs/dbraw/zinc/93/46/53/1072934653.db2.gz NMRJUPAQJNVRLD-FOKLQQMPSA-N 0 0 632.876 6.273 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214486 1072952694 /nfs/dbraw/zinc/95/26/94/1072952694.db2.gz XTHACSKRISQLED-SRZZPIQSSA-N 0 0 622.824 6.681 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000409213902 1072954131 /nfs/dbraw/zinc/95/41/31/1072954131.db2.gz VPDZVECVFFHINH-MFKUBSTISA-N 0 0 516.962 7.221 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409225113 1072980352 /nfs/dbraw/zinc/98/03/52/1072980352.db2.gz PAIQMXKKRXYUDW-KEBDBYFISA-N 0 0 515.906 5.631 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1Cl ZINC000409224528 1072982748 /nfs/dbraw/zinc/98/27/48/1072982748.db2.gz ICHWSNLAYGINQR-WSDLNYQXSA-N 0 0 649.850 6.107 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409223667 1072986811 /nfs/dbraw/zinc/98/68/11/1072986811.db2.gz HNDWJGXXSUESDU-SSDVNMTOSA-N 0 0 584.360 5.977 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409223320 1072988448 /nfs/dbraw/zinc/98/84/48/1072988448.db2.gz FGJGHDQTNLATFM-WSDLNYQXSA-N 0 0 695.251 5.784 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccc(Br)cc1 ZINC000409222753 1072990847 /nfs/dbraw/zinc/99/08/47/1072990847.db2.gz FCWPODDYPWSFES-JAIQZWGSSA-N 0 0 540.351 5.464 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409222088 1072996068 /nfs/dbraw/zinc/99/60/68/1072996068.db2.gz ATOIYDUFOJBJSY-FOKLQQMPSA-N 0 0 614.386 5.986 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409221608 1072998035 /nfs/dbraw/zinc/99/80/35/1072998035.db2.gz SWXIHQBQHAXOKH-CIAFOILYSA-N 0 0 619.799 5.928 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409221638 1072998658 /nfs/dbraw/zinc/99/86/58/1072998658.db2.gz UCILFEHLHNOHAQ-OEAKJJBVSA-N 0 0 579.407 5.030 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409221293 1072999571 /nfs/dbraw/zinc/99/95/71/1072999571.db2.gz OBXDSUCPRSJIDL-ZVHZXABRSA-N 0 0 579.009 5.320 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409221102 1073001784 /nfs/dbraw/zinc/00/17/84/1073001784.db2.gz KYAGVZGJGBWELL-ZVHZXABRSA-N 0 0 568.007 5.901 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409220521 1073005057 /nfs/dbraw/zinc/00/50/57/1073005057.db2.gz AYWJJEBWQSVQJT-YDZHTSKRSA-N 0 0 613.408 5.578 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409219570 1073007645 /nfs/dbraw/zinc/00/76/45/1073007645.db2.gz OBXWBCCLTLPEDE-ZMOGYAJESA-N 0 0 572.517 6.724 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409217666 1073015444 /nfs/dbraw/zinc/01/54/44/1073015444.db2.gz DZVXYNWRTPZCHI-DJKKODMXSA-N 0 0 536.324 5.976 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409228450 1073027075 /nfs/dbraw/zinc/02/70/75/1073027075.db2.gz YXOZRKKNNLISHF-DHRITJCHSA-N 0 0 642.484 6.019 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409237255 1073033119 /nfs/dbraw/zinc/03/31/19/1073033119.db2.gz JBDHARQWVWAENB-FOKLQQMPSA-N 0 0 589.851 6.835 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409232858 1073058583 /nfs/dbraw/zinc/05/85/83/1073058583.db2.gz BWQHCVXSICWGFZ-FSJBWODESA-N 0 0 677.448 5.991 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409231690 1073064369 /nfs/dbraw/zinc/06/43/69/1073064369.db2.gz FPFVTSSFWUGCJN-UFFVCSGVSA-N 0 0 620.840 6.404 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409231541 1073064596 /nfs/dbraw/zinc/06/45/96/1073064596.db2.gz JSFYRKIFBQVPNL-YDZHTSKRSA-N 0 0 675.457 5.471 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409231436 1073066439 /nfs/dbraw/zinc/06/64/39/1073066439.db2.gz JBQLLKWTNFHKHY-DEDYPNTBSA-N 0 0 506.964 5.299 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230347 1073070258 /nfs/dbraw/zinc/07/02/58/1073070258.db2.gz YKFOOHCBVYWXDR-RGVLZGJSSA-N 0 0 514.321 5.587 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409246168 1073078795 /nfs/dbraw/zinc/07/87/95/1073078795.db2.gz FXPYRLZVQVFNBQ-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409245127 1073085724 /nfs/dbraw/zinc/08/57/24/1073085724.db2.gz NVDPJDVTTLHSKF-SRZZPIQSSA-N 0 0 592.844 6.809 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 ZINC000409244751 1073087718 /nfs/dbraw/zinc/08/77/18/1073087718.db2.gz IFSDPJRBVNHGAY-WYMPLXKRSA-N 0 0 628.457 5.629 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409243446 1073092621 /nfs/dbraw/zinc/09/26/21/1073092621.db2.gz WKYVIRRAFCLWBX-RGVLZGJSSA-N 0 0 518.740 6.231 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409242765 1073095601 /nfs/dbraw/zinc/09/56/01/1073095601.db2.gz YFLLUIBHCFNFSD-CIAFOILYSA-N 0 0 542.773 5.683 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409239540 1073113403 /nfs/dbraw/zinc/11/34/03/1073113403.db2.gz HDDLKIJQBMQXAS-WYMPLXKRSA-N 0 0 646.903 6.663 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409238946 1073116354 /nfs/dbraw/zinc/11/63/54/1073116354.db2.gz XJLFRBCOMCGBTN-XDHOZWIPSA-N 0 0 568.389 5.623 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409238241 1073121312 /nfs/dbraw/zinc/12/13/12/1073121312.db2.gz WKJVBSPKHKYZNM-YDZHTSKRSA-N 0 0 646.903 6.663 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409250981 1073132345 /nfs/dbraw/zinc/13/23/45/1073132345.db2.gz ZFFMLOUXDCLBNK-WSDLNYQXSA-N 0 0 599.381 5.188 40 5 KKBBRN Cc1c(C=O)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409250758 1073132891 /nfs/dbraw/zinc/13/28/91/1073132891.db2.gz MTIKAVUDXUIPML-JJFYIABZSA-N 0 0 587.395 5.656 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409249315 1073142290 /nfs/dbraw/zinc/14/22/90/1073142290.db2.gz KBZVXENMCWNOHU-WSDLNYQXSA-N 0 0 679.876 6.115 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409251944 1073189983 /nfs/dbraw/zinc/18/99/83/1073189983.db2.gz ANORYBUXZJATCL-LSFURLLWSA-N 0 0 670.847 7.805 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1C ZINC000409262939 1073195275 /nfs/dbraw/zinc/19/52/75/1073195275.db2.gz GHJFDKMYSXECDX-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409266337 1073203246 /nfs/dbraw/zinc/20/32/46/1073203246.db2.gz QUTQJQRUZCKDFT-OYKKKHCWSA-N 0 0 659.458 5.852 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409262806 1073220389 /nfs/dbraw/zinc/22/03/89/1073220389.db2.gz HMTYRZABBOWWDR-WYMPLXKRSA-N 0 0 601.559 6.706 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(I)cc1 ZINC000409260955 1073231033 /nfs/dbraw/zinc/23/10/33/1073231033.db2.gz ZAJQTKKXJQMYTO-GRSHGNNSSA-N 0 0 654.236 5.897 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409258381 1073245864 /nfs/dbraw/zinc/24/58/64/1073245864.db2.gz TUOKVCGEYQMAGR-YSURURNPSA-N 0 0 646.903 6.582 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272769 1073253887 /nfs/dbraw/zinc/25/38/87/1073253887.db2.gz HAFINUMNJFBABD-MXAYSNPKSA-N 0 0 515.522 5.656 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409272587 1073254634 /nfs/dbraw/zinc/25/46/34/1073254634.db2.gz NKXABYBKAQOCLA-JMIUGGIZSA-N 0 0 599.768 8.063 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409272582 1073254661 /nfs/dbraw/zinc/25/46/61/1073254661.db2.gz NHOSZFDETPMMRJ-ZMOGYAJESA-N 0 0 549.517 5.010 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1C ZINC000409272629 1073255019 /nfs/dbraw/zinc/25/50/19/1073255019.db2.gz NPXDRECBSBQNBK-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272433 1073255314 /nfs/dbraw/zinc/25/53/14/1073255314.db2.gz GSLVQSBGPDOBIL-JVWAILMASA-N 0 0 524.554 6.246 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271851 1073260415 /nfs/dbraw/zinc/26/04/15/1073260415.db2.gz DDOKZRHCPQTDOB-MXAYSNPKSA-N 0 0 531.977 6.170 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409271905 1073260720 /nfs/dbraw/zinc/26/07/20/1073260720.db2.gz DZCHWHFSRNDHQI-YDZHTSKRSA-N 0 0 583.416 5.864 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1Cl ZINC000409271547 1073262703 /nfs/dbraw/zinc/26/27/03/1073262703.db2.gz JXHCIZJSPXDKPJ-SRZZPIQSSA-N 0 0 543.941 5.200 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000409271356 1073264139 /nfs/dbraw/zinc/26/41/39/1073264139.db2.gz BTNNGUNYXIZVMH-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409271089 1073265530 /nfs/dbraw/zinc/26/55/30/1073265530.db2.gz IXHSCEDQCDSKAV-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409270922 1073266469 /nfs/dbraw/zinc/26/64/69/1073266469.db2.gz RYIGGMWFORXSJZ-CIAFOILYSA-N 0 0 510.959 5.081 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)o1 ZINC000409269755 1073274946 /nfs/dbraw/zinc/27/49/46/1073274946.db2.gz DISNIKPVJYFHTB-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409269574 1073276720 /nfs/dbraw/zinc/27/67/20/1073276720.db2.gz KHMXODGSBKIIEW-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409269061 1073280464 /nfs/dbraw/zinc/28/04/64/1073280464.db2.gz DLQLICSODBKVNO-VULFUBBASA-N 0 0 623.565 7.243 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409268765 1073282074 /nfs/dbraw/zinc/28/20/74/1073282074.db2.gz ABULMYUKPHOEBZ-WSDLNYQXSA-N 0 0 539.953 5.515 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409268828 1073282489 /nfs/dbraw/zinc/28/24/89/1073282489.db2.gz BCHKSFJAIGYUQK-QRVIBDJDSA-N 0 0 673.441 5.492 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409268095 1073286681 /nfs/dbraw/zinc/28/66/81/1073286681.db2.gz ZLOLUPSULOJQQR-LQKURTRISA-N 0 0 647.503 7.407 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409267721 1073287884 /nfs/dbraw/zinc/28/78/84/1073287884.db2.gz OQVNXZNHLYMQII-DHRITJCHSA-N 0 0 615.586 7.096 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cccs1 ZINC000409276263 1073291116 /nfs/dbraw/zinc/29/11/16/1073291116.db2.gz ZQVOOASMQGJCAJ-HMXFMCBNSA-N 0 0 614.749 5.142 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F ZINC000409275975 1073294871 /nfs/dbraw/zinc/29/48/71/1073294871.db2.gz NMANJFGDTHNOOU-FBHDLOMBSA-N 0 0 561.975 6.353 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409275317 1073300543 /nfs/dbraw/zinc/30/05/43/1073300543.db2.gz ZYRJHXGOWGVUNY-WYMPLXKRSA-N 0 0 578.559 5.596 40 5 KKBBRN CC(C)c1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409275139 1073302136 /nfs/dbraw/zinc/30/21/36/1073302136.db2.gz SBUNQKINULSWSZ-CVKSISIWSA-N 0 0 559.600 5.655 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3c(F)cccc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409275043 1073304013 /nfs/dbraw/zinc/30/40/13/1073304013.db2.gz HMMIOJMFMUQOEI-FSJBWODESA-N 0 0 526.929 5.886 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274923 1073304346 /nfs/dbraw/zinc/30/43/46/1073304346.db2.gz GUJJHXWOLWOAMP-JMIUGGIZSA-N 0 0 527.898 6.198 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc21 ZINC000409274932 1073304416 /nfs/dbraw/zinc/30/44/16/1073304416.db2.gz RHULNJQTFVVERJ-QQXSKIMKSA-N 0 0 539.569 6.002 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274857 1073305095 /nfs/dbraw/zinc/30/50/95/1073305095.db2.gz QNFRLFVMVOUPSC-KEBDBYFISA-N 0 0 513.871 5.336 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1cccc2ccccc21 ZINC000409274673 1073308221 /nfs/dbraw/zinc/30/82/21/1073308221.db2.gz FPCGKQYFIKETIM-WGOQTCKBSA-N 0 0 539.569 6.002 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274430 1073309938 /nfs/dbraw/zinc/30/99/38/1073309938.db2.gz WUXVEUVUCSMDSN-PKYOQBLNSA-N 0 0 639.174 5.385 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409274387 1073311216 /nfs/dbraw/zinc/31/12/16/1073311216.db2.gz WOEJEYWMQPKDKY-QFEZKATASA-N 0 0 542.573 5.281 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274057 1073314299 /nfs/dbraw/zinc/31/42/99/1073314299.db2.gz UOCXPTCDEMXKSC-FOKLQQMPSA-N 0 0 569.935 5.877 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274091 1073314625 /nfs/dbraw/zinc/31/46/25/1073314625.db2.gz VFJZYPHHRWJMGH-RAWKODRKSA-N 0 0 628.154 5.672 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273080 1073320777 /nfs/dbraw/zinc/32/07/77/1073320777.db2.gz PNJHIHCKBUNFDQ-PKYOQBLNSA-N 0 0 683.625 5.494 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409272999 1073321078 /nfs/dbraw/zinc/32/10/78/1073321078.db2.gz OYPKOMPFWMGKEM-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409277087 1073323432 /nfs/dbraw/zinc/32/34/32/1073323432.db2.gz YWCCNZSKHVITFF-AUEPDCJTSA-N 0 0 555.515 5.136 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409276354 1073331244 /nfs/dbraw/zinc/33/12/44/1073331244.db2.gz QBVOXDCOIMUXRP-PQRKSKNISA-N 0 0 683.625 5.494 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000409273284 1073334063 /nfs/dbraw/zinc/33/40/63/1073334063.db2.gz JQGPBJAGCALRTC-MFKUBSTISA-N 0 0 518.547 5.492 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006280803 193879797 /nfs/dbraw/zinc/87/97/97/193879797.db2.gz JQPKSGBOOXKWPU-KRWDZBQOSA-N 0 0 553.044 5.877 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000059247858 193893054 /nfs/dbraw/zinc/89/30/54/193893054.db2.gz CZMBYWOIBVUOMW-AHQATDLNSA-N 0 0 577.618 5.104 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000100367812 193904126 /nfs/dbraw/zinc/90/41/26/193904126.db2.gz WVZDNBUHSHVTLD-XQNWCSQWSA-N 0 0 585.707 5.475 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 ZINC000100369055 193905239 /nfs/dbraw/zinc/90/52/39/193905239.db2.gz QUVZOULZVHSLKT-OYKKKHCWSA-N 0 0 566.060 6.021 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222997527 193937880 /nfs/dbraw/zinc/93/78/80/193937880.db2.gz XIKRCLIJICDFGW-XIFFEERXSA-N 0 0 658.777 5.211 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224507479 193952458 /nfs/dbraw/zinc/95/24/58/193952458.db2.gz JLJANIYBUBUOJK-GDLZYMKVSA-N 0 0 691.634 6.280 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)o1 ZINC000225538685 193971665 /nfs/dbraw/zinc/97/16/65/193971665.db2.gz IQAAAJZTOOBRNQ-SVBPBHIXSA-N 0 0 543.605 5.260 40 5 KKBBRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000013540302 517552692 /nfs/dbraw/zinc/55/26/92/517552692.db2.gz LSUXCWJOIAWGOU-FTJOPAKQSA-O 0 0 520.668 5.544 40 5 biogenic,in-vitro KKBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000797502 551543243 /nfs/dbraw/zinc/54/32/43/551543243.db2.gz LOCMTPOAMAPSNS-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000001313731 551639996 /nfs/dbraw/zinc/63/99/96/551639996.db2.gz HKAFWWXDHNSTMU-NXCFDTQHSA-N 0 0 529.936 5.555 40 5 KKBBRN Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)C(=O)[C@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000001436420 551671139 /nfs/dbraw/zinc/67/11/39/551671139.db2.gz UHCKOKANBDNFBJ-MHZLTWQESA-N 0 0 572.445 5.531 40 5 KKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1 ZINC000001637230 551687347 /nfs/dbraw/zinc/68/73/47/551687347.db2.gz DBWVHDCADROUMD-MTJSOVHGSA-N 0 0 520.419 6.484 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N12)c1ccccc1 ZINC000002285032 551806781 /nfs/dbraw/zinc/80/67/81/551806781.db2.gz QHFYVXFTSTVDLU-YULOIDQLSA-N 0 0 549.970 5.674 40 5 KKBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccccc1I ZINC000002741377 552172031 /nfs/dbraw/zinc/17/20/31/552172031.db2.gz UHZHBKNINRAAHG-UHFFFAOYSA-N 0 0 557.373 5.178 40 5 KKBBRN O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000002766439 552183530 /nfs/dbraw/zinc/18/35/30/552183530.db2.gz DSISUIWTIQHQIF-UHFFFAOYSA-N 0 0 506.414 5.713 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000002798963 552193361 /nfs/dbraw/zinc/19/33/61/552193361.db2.gz SEMBBASOCHCLJO-UHFFFAOYSA-N 0 0 552.534 6.692 40 5 KKBBRN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 ZINC000003139601 552294241 /nfs/dbraw/zinc/29/42/41/552294241.db2.gz KZHPCYFKEJPEPJ-UHFFFAOYSA-N 0 0 526.303 5.355 40 5 KKBBRN Cc1cc(Oc2cc(NC(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc(C(C)C)c1 ZINC000003139677 552294527 /nfs/dbraw/zinc/29/45/27/552294527.db2.gz XUOQTFQTLCRDKN-UHFFFAOYSA-N 0 0 582.564 7.256 40 5 KKBBRN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 ZINC000003139673 552294541 /nfs/dbraw/zinc/29/45/41/552294541.db2.gz MFGVJQMLTRZXNZ-UHFFFAOYSA-N 0 0 577.479 5.721 40 5 KKBBRN Cc1nc2ccccc2c2c(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc3n21 ZINC000003305520 552348597 /nfs/dbraw/zinc/34/85/97/552348597.db2.gz XWRQMKXOJQAMHH-UHFFFAOYSA-N 0 0 533.053 6.029 40 5 KKBBRN CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O ZINC000003928304 552422749 /nfs/dbraw/zinc/42/27/49/552422749.db2.gz SCMLRESZJCKCTC-KMYQRJGFSA-N 0 0 615.777 6.161 40 5 in-man KKBBRN Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)cc1 ZINC000004092047 552435876 /nfs/dbraw/zinc/43/58/76/552435876.db2.gz ZATMDQYTMUBAKK-AFUMVMLFSA-N 0 0 526.574 5.733 40 5 KKBBRN N=C1NC(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1 ZINC000004180208 552446627 /nfs/dbraw/zinc/44/66/27/552446627.db2.gz VQZIMJYJQRXBMY-WLRTZDKTSA-N 0 0 567.137 6.070 40 5 KKBBRN CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 ZINC000004292478 552456693 /nfs/dbraw/zinc/45/66/93/552456693.db2.gz LNWMYOXLGWHIRY-UHFFFAOYSA-N 0 0 600.609 5.293 40 5 KKBBRN O=C1/C(=C\c2ccccc2)S[C@@]2(SC(c3cccs3)=NN2c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000004293498 552457260 /nfs/dbraw/zinc/45/72/60/552457260.db2.gz PSPQSKYDILSWKF-WTDOPDLHSA-N 0 0 542.667 7.004 40 5 KKBBRN c1ccc2c(c1)ccc1cc3cc(NCCCCNc4ccc5nc6c(ccc7ccccc76)cc5c4)ccc3nc12 ZINC000004773967 552481474 /nfs/dbraw/zinc/48/14/74/552481474.db2.gz WTFZDIIBNGNKSR-UHFFFAOYSA-N 0 0 542.686 9.700 40 5 KKBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] ZINC000005949424 552516357 /nfs/dbraw/zinc/51/63/57/552516357.db2.gz DECIYDXISPNVGC-UHFFFAOYSA-N 0 0 536.457 5.268 40 5 KKBBRN Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000006245374 552573997 /nfs/dbraw/zinc/57/39/97/552573997.db2.gz MLVIRLATMJBSAI-LJQANCHMSA-N 0 0 502.600 5.524 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006280050 552575916 /nfs/dbraw/zinc/57/59/16/552575916.db2.gz TXJGUBOGSHVMTL-UHFFFAOYSA-N 0 0 504.528 5.098 40 5 KKBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000006280139 552576217 /nfs/dbraw/zinc/57/62/17/552576217.db2.gz AAIZBRBASLNAQX-UHFFFAOYSA-N 0 0 509.975 5.544 40 5 KKBBRN COc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000006289329 552578666 /nfs/dbraw/zinc/57/86/66/552578666.db2.gz AABJPISVZAEYDC-UHFFFAOYSA-N 0 0 575.474 5.326 40 5 KKBBRN Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c12 ZINC000006474238 552592400 /nfs/dbraw/zinc/59/24/00/552592400.db2.gz JTDNESXNNUSUKR-UHFFFAOYSA-N 0 0 510.531 6.102 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000006600331 552602556 /nfs/dbraw/zinc/60/25/56/552602556.db2.gz MGPQHBCPQRRBOM-CYBMUJFWSA-N 0 0 502.618 5.253 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000006600333 552602595 /nfs/dbraw/zinc/60/25/95/552602595.db2.gz MGPQHBCPQRRBOM-ZDUSSCGKSA-N 0 0 502.618 5.253 40 5 KKBBRN COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007060412 552982864 /nfs/dbraw/zinc/98/28/64/552982864.db2.gz VYNWWPUMHYGQDS-UHFFFAOYSA-N 0 0 510.959 5.632 40 5 KKBBRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000008792266 553147713 /nfs/dbraw/zinc/14/77/13/553147713.db2.gz DRHTVPKCCGBYFX-KRWDZBQOSA-N 0 0 505.530 5.175 40 5 biogenic KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ccccc3o2)c1O ZINC000008835165 553161407 /nfs/dbraw/zinc/16/14/07/553161407.db2.gz MSAJRGMJKIQHEP-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008835299 553161822 /nfs/dbraw/zinc/16/18/22/553161822.db2.gz GILYBHPHWZMYHW-UHFFFAOYSA-N 0 0 515.595 5.198 40 5 KKBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000008835663 553162657 /nfs/dbraw/zinc/16/26/57/553162657.db2.gz MZUUPEVMVWNHJX-UHFFFAOYSA-N 0 0 500.536 5.163 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008895152 553178083 /nfs/dbraw/zinc/17/80/83/553178083.db2.gz GFOJZUZHIGCCRG-HWKANZROSA-N 0 0 510.786 6.650 40 5 KKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc21 ZINC000010010621 553325652 /nfs/dbraw/zinc/32/56/52/553325652.db2.gz ZDVZTUMJUODWTO-VQHVLOKHSA-N 0 0 500.330 5.888 40 5 KKBBRN O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000013304048 553458106 /nfs/dbraw/zinc/45/81/06/553458106.db2.gz BYNGFEAQWOAKGI-CQSZACIVSA-N 0 0 512.202 5.157 40 5 KKBBRN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c32)C1 ZINC000013510233 553467287 /nfs/dbraw/zinc/46/72/87/553467287.db2.gz NYIFWBLVNODBTA-HXUWFJFHSA-N 0 0 535.714 6.640 40 5 KKBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014274354 553507271 /nfs/dbraw/zinc/50/72/71/553507271.db2.gz DQCXARLGLSOUSV-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2c(Br)cccc12 ZINC000014275246 553508147 /nfs/dbraw/zinc/50/81/47/553508147.db2.gz PDHMTMYVQNQYGT-UHFFFAOYSA-N 0 0 509.179 5.400 40 5 KKBBRN Cc1c(Cl)cccc1NC(=O)c1c(OCC(F)(F)F)cc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000015024597 553527074 /nfs/dbraw/zinc/52/70/74/553527074.db2.gz VBXDBXWPKOXYDF-UHFFFAOYSA-N 0 0 510.921 7.042 40 5 KKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000016285045 553558825 /nfs/dbraw/zinc/55/88/25/553558825.db2.gz IKKKOLLAWBYKCH-UHFFFAOYSA-N 0 0 508.397 7.017 40 5 KKBBRN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384654 553561908 /nfs/dbraw/zinc/56/19/08/553561908.db2.gz FDAALXVPBRSFOC-UHFFFAOYSA-N 0 0 514.287 6.143 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000016611109 553569531 /nfs/dbraw/zinc/56/95/31/553569531.db2.gz MWMIAUOOJBAPOJ-INIZCTEOSA-N 0 0 518.595 6.442 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000016611055 553569535 /nfs/dbraw/zinc/56/95/35/553569535.db2.gz QFZBVUXYYXJFST-AWEZNQCLSA-N 0 0 508.987 6.697 40 5 KKBBRN CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@@H]2CCCC[C@H]12 ZINC000016682575 553572538 /nfs/dbraw/zinc/57/25/38/553572538.db2.gz YXEFIVSGCPRGED-FXAWDEMLSA-N 0 0 502.976 5.851 40 5 KKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016692005 553573587 /nfs/dbraw/zinc/57/35/87/553573587.db2.gz ZXESLMFEYBTQEJ-UHFFFAOYSA-N 0 0 506.540 5.327 40 5 KKBBRN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc2ccccc2c1Cl ZINC000016768140 553581266 /nfs/dbraw/zinc/58/12/66/553581266.db2.gz GVGSPIAHJQKLMO-UHFFFAOYSA-N 0 0 505.879 5.393 40 5 KKBBRN CCOc1c(/C=C/c2cc(/C=C\c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC ZINC000016926342 553583911 /nfs/dbraw/zinc/58/39/11/553583911.db2.gz DPZMSMVRPKNORN-VCFJNTAESA-N 0 0 520.538 6.658 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000019855892 553625132 /nfs/dbraw/zinc/62/51/32/553625132.db2.gz NKXLFWRQKUQGEA-UHFFFAOYSA-N 0 0 519.604 5.580 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000019856598 553627770 /nfs/dbraw/zinc/62/77/70/553627770.db2.gz TWRZYAGFGSNSFB-UHFFFAOYSA-N 0 0 515.591 5.859 40 5 KKBBRN COc1ccc2c3nccc4c5cc(OCC(=O)N[C@@H](C)CCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000070707976 553631777 /nfs/dbraw/zinc/63/17/77/553631777.db2.gz UAVGWEMDCFTCHO-IBGZPJMESA-N 0 0 535.600 5.125 40 5 biogenic KKBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6nc7ccccc7s6)ccc5n(c43)c(=O)c2c1OC ZINC000070708142 553632329 /nfs/dbraw/zinc/63/23/29/553632329.db2.gz FSYIUGQIGHRUGD-OAHLLOKOSA-N 0 0 550.596 5.625 40 5 biogenic KKBBRN O=C(Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl ZINC000082190854 553675865 /nfs/dbraw/zinc/67/58/65/553675865.db2.gz LZHJHVHRKPULIY-UHFFFAOYSA-N 0 0 628.208 5.617 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C)C[C@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000095101041 553700150 /nfs/dbraw/zinc/70/01/50/553700150.db2.gz AZSNWJZCHJVPIN-LQFQNGICSA-N 0 0 704.700 5.882 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021124389 553707512 /nfs/dbraw/zinc/70/75/12/553707512.db2.gz LXJRTKRWXNRWTK-XBXARRHUSA-N 0 0 505.402 5.248 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000021596026 553715165 /nfs/dbraw/zinc/71/51/65/553715165.db2.gz FMRHHUVWTUWCTR-SDNWHVSQSA-N 0 0 501.951 7.437 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022822439 553751676 /nfs/dbraw/zinc/75/16/76/553751676.db2.gz GCVMUPQAXVQQRV-GOSISDBHSA-N 0 0 500.555 6.005 40 5 KKBBRN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000022822458 553751695 /nfs/dbraw/zinc/75/16/95/553751695.db2.gz MWTRQXCJFWZZEG-UHFFFAOYSA-N 0 0 500.555 5.789 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 ZINC000022832410 553755711 /nfs/dbraw/zinc/75/57/11/553755711.db2.gz VJVQCQZJCIZCEU-UHFFFAOYSA-N 0 0 508.376 5.995 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000022834582 553756528 /nfs/dbraw/zinc/75/65/28/553756528.db2.gz DLRNLWNLTBGOAE-UHFFFAOYSA-N 0 0 510.550 5.378 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000022843270 553759561 /nfs/dbraw/zinc/75/95/61/553759561.db2.gz QNNZZULQWJGUFI-INIZCTEOSA-N 0 0 518.595 6.442 40 5 KKBBRN CC(C)c1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 ZINC000022845459 553760070 /nfs/dbraw/zinc/76/00/70/553760070.db2.gz VYALDLFDXUYTKM-UHFFFAOYSA-N 0 0 520.973 6.269 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@H](c5ccc(F)cc5)N6)nc34)c21 ZINC000097948483 553794088 /nfs/dbraw/zinc/79/40/88/553794088.db2.gz MGPLOAYWOIKPSY-CJNGLKHVSA-N 0 0 574.514 6.796 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@@H](c5ccc(F)cc5)N6)nc34)c21 ZINC000097948485 553794120 /nfs/dbraw/zinc/79/41/20/553794120.db2.gz MGPLOAYWOIKPSY-BBRMVZONSA-N 0 0 574.514 6.796 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000097949236 553800453 /nfs/dbraw/zinc/80/04/53/553800453.db2.gz AWTOWUGNJIDAFZ-JTHBVZDNSA-N 0 0 681.263 8.021 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000097949237 553800543 /nfs/dbraw/zinc/80/05/43/553800543.db2.gz AWTOWUGNJIDAFZ-FYYLOGMGSA-N 0 0 681.263 8.021 40 5 KKBBRN CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000026441871 553818615 /nfs/dbraw/zinc/81/86/15/553818615.db2.gz QNUTUJVHBGOYKS-UHFFFAOYSA-N 0 0 502.596 6.027 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000097954384 553822865 /nfs/dbraw/zinc/82/28/65/553822865.db2.gz HKAFWWXDHNSTMU-GSDHBNRESA-N 0 0 529.936 5.555 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000097954698 553824908 /nfs/dbraw/zinc/82/49/08/553824908.db2.gz WHORAWYKUZATPJ-IARZGTGTSA-N 0 0 549.539 5.174 40 5 KKBBRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 ZINC000027515742 553826599 /nfs/dbraw/zinc/82/65/99/553826599.db2.gz FCCQDUPYGSKQQB-SANMLTNESA-N 0 0 512.497 5.928 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] ZINC000032114484 553863727 /nfs/dbraw/zinc/86/37/27/553863727.db2.gz NYVMPAWFSITIIK-UHFFFAOYSA-N 0 0 516.966 6.645 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000032111986 553863779 /nfs/dbraw/zinc/86/37/79/553863779.db2.gz GGWLMDDOHWZUIM-UHFFFAOYSA-N 0 0 516.966 6.645 40 5 KKBBRN Cc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)ccc1[N+](=O)[O-] ZINC000032114951 553864326 /nfs/dbraw/zinc/86/43/26/553864326.db2.gz KEPIHSSQKSMKMH-UHFFFAOYSA-N 0 0 502.886 5.770 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000032124689 553865623 /nfs/dbraw/zinc/86/56/23/553865623.db2.gz NEVFXZSLSVHBDY-UCQKPKSFSA-N 0 0 519.604 6.038 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000033646377 553965809 /nfs/dbraw/zinc/96/58/09/553965809.db2.gz YSENSHJCQDXMGQ-SSVHHLKVSA-N 0 0 510.502 5.056 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097983547 554009983 /nfs/dbraw/zinc/00/99/83/554009983.db2.gz DMGUHELCQUBQIA-VOUPQCIBSA-N 0 0 551.643 7.229 40 5 KKBBRN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000034827939 554011898 /nfs/dbraw/zinc/01/18/98/554011898.db2.gz FBRCFDAYXVPRNL-UHFFFAOYSA-N 0 0 512.551 5.332 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097983818 554011904 /nfs/dbraw/zinc/01/19/04/554011904.db2.gz CSEVLRDDKRAYBV-ZHPYGUFWSA-N 0 0 612.599 5.685 40 5 KKBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000097986505 554024677 /nfs/dbraw/zinc/02/46/77/554024677.db2.gz GAKOOUXIFVPRHC-SDHOMARFSA-N 0 0 561.616 5.071 40 5 KKBBRN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000098043128 554124912 /nfs/dbraw/zinc/12/49/12/554124912.db2.gz PENRABPSNXHHCN-UHFFFAOYSA-N 0 0 580.997 7.589 40 5 KKBBRN Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100239245 554260045 /nfs/dbraw/zinc/26/00/45/554260045.db2.gz AVGYFSCQMANWHE-JGLCYXNFSA-N 0 0 543.620 5.146 40 5 KKBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)nc2c1 ZINC000038173535 554273958 /nfs/dbraw/zinc/27/39/58/554273958.db2.gz NQBNPXWGVUTSDV-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)nc2c1 ZINC000038178000 554274015 /nfs/dbraw/zinc/27/40/15/554274015.db2.gz VWVJECCJDQFFFF-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100298873 554289680 /nfs/dbraw/zinc/28/96/80/554289680.db2.gz VEBBOBIITJLYQV-UHFFFAOYSA-N 0 0 532.965 6.102 40 5 KKBBRN Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100299198 554289905 /nfs/dbraw/zinc/28/99/05/554289905.db2.gz LKFQKUJTACWYOW-UHFFFAOYSA-N 0 0 524.327 5.682 40 5 KKBBRN O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100299468 554289993 /nfs/dbraw/zinc/28/99/93/554289993.db2.gz GOTCYONHJJYINO-UHFFFAOYSA-N 0 0 532.965 6.102 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Br ZINC000100301263 554291341 /nfs/dbraw/zinc/29/13/41/554291341.db2.gz CNXWEHFTPYAPBE-UHFFFAOYSA-N 0 0 567.755 6.224 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000100302088 554291634 /nfs/dbraw/zinc/29/16/34/554291634.db2.gz YKIPXVHGPGCIEB-RQZCQDPDSA-N 0 0 555.790 5.189 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100305765 554293911 /nfs/dbraw/zinc/29/39/11/554293911.db2.gz QVBOVMXZQUIBPV-QARYAGPDSA-N 0 0 622.497 5.462 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000100317574 554303327 /nfs/dbraw/zinc/30/33/27/554303327.db2.gz LPQFIQLSMOGDID-QGZVFWFLSA-N 0 0 540.601 7.303 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1Br ZINC000100318529 554303846 /nfs/dbraw/zinc/30/38/46/554303846.db2.gz BLNFXHSCYWORIP-UHFFFAOYSA-N 0 0 559.423 5.876 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br ZINC000100319460 554304198 /nfs/dbraw/zinc/30/41/98/554304198.db2.gz FWABYHWITKVKCY-XVNBXDOJSA-N 0 0 553.847 5.669 40 5 KKBBRN O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000100331856 554314020 /nfs/dbraw/zinc/31/40/20/554314020.db2.gz QQJLFJABKRWBBQ-XKZIYDEJSA-N 0 0 523.954 5.502 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000048016028 554321413 /nfs/dbraw/zinc/32/14/13/554321413.db2.gz OENHQHLEOONYIE-LZMNTPPDSA-N 0 0 536.888 12.606 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000100338719 554323043 /nfs/dbraw/zinc/32/30/43/554323043.db2.gz LCDJUWRKELLZBQ-XYGWBWBKSA-N 0 0 611.101 5.911 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000049766927 554325662 /nfs/dbraw/zinc/32/56/62/554325662.db2.gz BIIYWHLOULXKJD-OHKLAEMPSA-N 0 0 662.698 6.801 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1Cl ZINC000100353022 554331462 /nfs/dbraw/zinc/33/14/62/554331462.db2.gz NSPLDQUNGJNKGU-BRJLIKDPSA-N 0 0 561.019 6.235 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 ZINC000100363678 554348293 /nfs/dbraw/zinc/34/82/93/554348293.db2.gz WYUAKJXNEBEULI-RUDMXATFSA-N 0 0 590.171 6.422 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368250 554354472 /nfs/dbraw/zinc/35/44/72/554354472.db2.gz KBKPRWXYIBUENW-UUYOSTAYSA-N 0 0 531.442 7.598 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000057316019 554354847 /nfs/dbraw/zinc/35/48/47/554354847.db2.gz UESSXZRPVWZIHS-XYOKQWHBSA-N 0 0 503.873 7.107 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000100368778 554354899 /nfs/dbraw/zinc/35/48/99/554354899.db2.gz DGBCNHJNBWOOLM-MYYYXRDXSA-N 0 0 576.055 7.228 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000057316140 554354908 /nfs/dbraw/zinc/35/49/08/554354908.db2.gz ZEUDTKBVJDIKEL-UHFFFAOYSA-N 0 0 507.015 7.014 40 5 KKBBRN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390709 554366553 /nfs/dbraw/zinc/36/65/53/554366553.db2.gz LFIIYFNPEOPSCZ-VXKWHMMOSA-N 0 0 534.952 6.077 40 5 KKBBRN CC(C)(C)[C@H]1CCc2c(sc3nc(COc4ccccc4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 ZINC000100407226 554374073 /nfs/dbraw/zinc/37/40/73/554374073.db2.gz QJOAPJQOYCXEIZ-FQEVSTJZSA-N 0 0 559.692 6.171 40 5 KKBBRN O=c1c2ccc3c(=O)n(-c4ccc(Cl)c(Cl)c4)c(=O)c4ccc(c(=O)n1-c1ccc(Cl)c(Cl)c1)c2c34 ZINC000059313597 554388022 /nfs/dbraw/zinc/38/80/22/554388022.db2.gz GUTFCERSZOMUKS-UHFFFAOYSA-N 0 0 556.188 5.658 40 5 KKBBRN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000059331432 554388565 /nfs/dbraw/zinc/38/85/65/554388565.db2.gz DKQBSFVODNYBMP-UHFFFAOYSA-N 0 0 517.611 5.273 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331567 554389406 /nfs/dbraw/zinc/38/94/06/554389406.db2.gz LXEULMBRAXVWFG-UHFFFAOYSA-N 0 0 521.002 5.519 40 5 KKBBRN CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000059331823 554391621 /nfs/dbraw/zinc/39/16/21/554391621.db2.gz RNVCZALSTKFLTP-UHFFFAOYSA-N 0 0 520.973 6.269 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059331940 554392295 /nfs/dbraw/zinc/39/22/95/554392295.db2.gz RSVRRSZJCNYIBI-UHFFFAOYSA-N 0 0 520.929 5.316 40 5 KKBBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)C1 ZINC000059490039 554398772 /nfs/dbraw/zinc/39/87/72/554398772.db2.gz YSNWTCJFVGOANO-KDYSTLNUSA-N 0 0 515.054 5.254 40 5 KKBBRN CC(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059513078 554400575 /nfs/dbraw/zinc/40/05/75/554400575.db2.gz MNSDZKBYZBXCLI-UQDCTOEPSA-N 0 0 507.615 5.350 40 5 KKBBRN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100528124 554410472 /nfs/dbraw/zinc/41/04/72/554410472.db2.gz NGFXMSZHOSKWAT-UHFFFAOYSA-N 0 0 551.342 6.981 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059646798 554417452 /nfs/dbraw/zinc/41/74/52/554417452.db2.gz UJGTXZQGAFJNAK-UHFFFAOYSA-N 0 0 558.827 5.706 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000059651958 554419282 /nfs/dbraw/zinc/41/92/82/554419282.db2.gz JJKPRRUEKLTZNY-DHUJRADRSA-N 0 0 616.649 7.113 40 5 KKBBRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059881463 554456841 /nfs/dbraw/zinc/45/68/41/554456841.db2.gz JEHZLXZWLQWMER-UHFFFAOYSA-N 0 0 598.530 5.464 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000059885919 554465659 /nfs/dbraw/zinc/46/56/59/554465659.db2.gz HCTVBQGAMBQORT-UHFFFAOYSA-N 0 0 536.429 5.030 40 5 KKBBRN CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000064219757 554510870 /nfs/dbraw/zinc/51/08/70/554510870.db2.gz QQVHIIKQSAHFLH-VWLOTQADSA-N 0 0 506.555 5.392 40 5 KKBBRN COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 ZINC000100912653 554518351 /nfs/dbraw/zinc/51/83/51/554518351.db2.gz SRBGMCBGEUXJBO-AKFKNWHVSA-N 0 0 610.069 5.381 40 5 KKBBRN Cc1cc(I)ccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(I)cc2C)n1 ZINC000100927680 554524918 /nfs/dbraw/zinc/52/49/18/554524918.db2.gz QNSGNTROLBNJDG-UHFFFAOYSA-N 0 0 601.186 6.006 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100957607 554540400 /nfs/dbraw/zinc/54/04/00/554540400.db2.gz VSLNEDZKGVVOMM-UHFFFAOYSA-N 0 0 542.327 5.201 40 5 KKBBRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000101216223 554682831 /nfs/dbraw/zinc/68/28/31/554682831.db2.gz DIFAQKKJIQJCAN-BUHFOSPRSA-N 0 0 544.615 5.666 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000101216356 554683360 /nfs/dbraw/zinc/68/33/60/554683360.db2.gz LOSYNZAGLHWNQJ-OUKQBFOZSA-N 0 0 565.033 6.011 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c1)C2=O ZINC000101441618 554773352 /nfs/dbraw/zinc/77/33/52/554773352.db2.gz ZLBZBDLBTANSSJ-SSEXGKCCSA-N 0 0 571.545 6.033 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 ZINC000101520035 554794030 /nfs/dbraw/zinc/79/40/30/554794030.db2.gz GYTHIZXLTMAAIX-UHFFFAOYSA-N 0 0 569.590 6.446 40 5 KKBBRN Clc1ccc(-c2cc(-c3ccccc3)nc3ccc4c(ccc5nc(-c6ccccc6)cc(-c6ccc(Cl)cc6)c54)c32)cc1 ZINC000101674931 554828034 /nfs/dbraw/zinc/82/80/34/554828034.db2.gz 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ZINC000102628664 554988472 /nfs/dbraw/zinc/98/84/72/554988472.db2.gz WGUAQIPDAHVOQV-UHFFFAOYSA-N 0 0 598.633 6.837 40 5 KKBBRN C[C@H]1[C@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@@]12CC[C@@H](C)CO2 ZINC000102812779 555075526 /nfs/dbraw/zinc/07/55/26/555075526.db2.gz ULNDHEVVJSRKCY-IHQMGBMBSA-N 0 0 509.643 6.317 40 5 KKBBRN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000102869536 555099191 /nfs/dbraw/zinc/09/91/91/555099191.db2.gz KNSZFXQHZICIMJ-PRFMUHPXSA-N 0 0 589.670 5.645 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102890793 555126156 /nfs/dbraw/zinc/12/61/56/555126156.db2.gz BVDAAQKWCKLXRL-PKTNWEFCSA-N 0 0 583.528 5.013 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102894977 555133500 /nfs/dbraw/zinc/13/35/00/555133500.db2.gz 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/nfs/dbraw/zinc/36/85/44/571368544.db2.gz ZEPAOCIBIHVXDO-UHFFFAOYSA-N 0 0 537.648 6.113 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]23)C1O ZINC000103973896 571370574 /nfs/dbraw/zinc/37/05/74/571370574.db2.gz DENCGNQTUBKZOH-CGBRIMPHSA-N 0 0 592.833 5.592 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@H]23)C1O ZINC000103988276 571370863 /nfs/dbraw/zinc/37/08/63/571370863.db2.gz LZDUQVIBVQDPDJ-MNVNNWCQSA-N 0 0 608.832 5.292 40 5 KKBBRN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000104054144 571371932 /nfs/dbraw/zinc/37/19/32/571371932.db2.gz KSFYBRZTBGDRCL-NBJHOTSESA-N 0 0 575.646 6.211 40 5 KKBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000104059195 571372097 /nfs/dbraw/zinc/37/20/97/571372097.db2.gz BSYIHBQFXRTASG-AWCRTANDSA-N 0 0 579.565 5.182 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000104083941 571372490 /nfs/dbraw/zinc/37/24/90/571372490.db2.gz FRDINEHXLNDHTJ-UHFFFAOYSA-N 0 0 561.019 6.424 40 5 KKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000104120841 571374292 /nfs/dbraw/zinc/37/42/92/571374292.db2.gz PKKPLMZAKHMKLU-UHFFFAOYSA-N 0 0 515.172 6.051 40 5 KKBBRN Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000104086047 571373215 /nfs/dbraw/zinc/37/32/15/571373215.db2.gz WAMCXYPRSMMSRN-XYOKQWHBSA-N 0 0 575.474 5.373 40 5 KKBBRN CC(C)(C)c1cc(/C=C/c2cc(/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000104108729 571374051 /nfs/dbraw/zinc/37/40/51/571374051.db2.gz XATKKLKCHOLDIJ-WXUKJITCSA-N 0 0 628.810 10.445 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222591672 571374391 /nfs/dbraw/zinc/37/43/91/571374391.db2.gz 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CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222638762 571378880 /nfs/dbraw/zinc/37/88/80/571378880.db2.gz IHUOMEPHXUBSGY-YTTGMZPUSA-N 0 0 663.196 5.856 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222638922 571378962 /nfs/dbraw/zinc/37/89/62/571378962.db2.gz FFKBDFWKPHFMIQ-YTTGMZPUSA-N 0 0 663.196 5.856 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1Cl ZINC000104329362 571379147 /nfs/dbraw/zinc/37/91/47/571379147.db2.gz YOJYDJLQJRWDEC-UHFFFAOYSA-N 0 0 514.350 6.111 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)cc(Cl)c3OC)o2)c([N+](=O)[O-])c1 ZINC000104330300 571379227 /nfs/dbraw/zinc/37/92/27/571379227.db2.gz JSZXRMBZDABUEK-UHFFFAOYSA-N 0 0 520.885 5.981 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000104382427 571379876 /nfs/dbraw/zinc/37/98/76/571379876.db2.gz 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/nfs/dbraw/zinc/38/50/82/571385082.db2.gz ZSMKUPFMKCWGKT-PKYOQBLNSA-N 0 0 620.127 6.524 40 5 KKBBRN COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000104708797 571385664 /nfs/dbraw/zinc/38/56/64/571385664.db2.gz WHHSXVSGMKVBBZ-UHFFFAOYSA-N 0 0 554.408 5.061 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222706146 571386958 /nfs/dbraw/zinc/38/69/58/571386958.db2.gz RJNGHAFFTNQBKZ-SANMLTNESA-N 0 0 554.043 5.048 40 5 KKBBRN Cc1c(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000104911560 571387351 /nfs/dbraw/zinc/38/73/51/571387351.db2.gz NOQZITXLHIONNL-UHFFFAOYSA-N 0 0 540.876 5.831 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105135701 571391793 /nfs/dbraw/zinc/39/17/93/571391793.db2.gz ACTPTKGANFSQKI-DEDYPNTBSA-N 0 0 537.322 5.320 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105222291 571392171 /nfs/dbraw/zinc/39/21/71/571392171.db2.gz UAXFXCCCLOEGFP-UHFFFAOYSA-N 0 0 518.765 7.830 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105302518 571392672 /nfs/dbraw/zinc/39/26/72/571392672.db2.gz UUKCTIOJXNUDPR-UHFFFAOYSA-N 0 0 528.771 7.286 40 5 KKBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c(C)c1 ZINC000105305808 571393762 /nfs/dbraw/zinc/39/37/62/571393762.db2.gz KYMLJFZYPGFQLV-UHFFFAOYSA-N 0 0 564.067 6.790 40 5 KKBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306206 571393966 /nfs/dbraw/zinc/39/39/66/571393966.db2.gz RRHSNTRHKRMHBZ-UHFFFAOYSA-N 0 0 542.617 5.794 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306160 571393990 /nfs/dbraw/zinc/39/39/90/571393990.db2.gz CPYCHDCXSNKIKJ-UHFFFAOYSA-N 0 0 570.458 6.827 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306105 571394026 /nfs/dbraw/zinc/39/40/26/571394026.db2.gz KGBDAEPFEQCHOH-UHFFFAOYSA-N 0 0 580.464 6.283 40 5 KKBBRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)oc2cc1C ZINC000105306378 571394083 /nfs/dbraw/zinc/39/40/83/571394083.db2.gz YXJQHWYPMXCIBT-UHFFFAOYSA-N 0 0 545.621 5.292 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306641 571394181 /nfs/dbraw/zinc/39/41/81/571394181.db2.gz QPUSMXOVZSTMJU-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306608 571394228 /nfs/dbraw/zinc/39/42/28/571394228.db2.gz WIPVLDFJLVZAFC-UHFFFAOYSA-N 0 0 582.436 5.129 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222762030 571394295 /nfs/dbraw/zinc/39/42/95/571394295.db2.gz IZFWMPNCBNXXKP-SANMLTNESA-N 0 0 621.543 5.429 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222761893 571394360 /nfs/dbraw/zinc/39/43/60/571394360.db2.gz YPANFUODNWBFFX-SANMLTNESA-N 0 0 621.543 5.429 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000105307858 571394809 /nfs/dbraw/zinc/39/48/09/571394809.db2.gz IRAPKOXVJKXECB-UHFFFAOYSA-N 0 0 570.458 6.745 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000105307880 571394827 /nfs/dbraw/zinc/39/48/27/571394827.db2.gz MPSGWBFGFPJINT-UHFFFAOYSA-N 0 0 550.040 6.346 40 5 KKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105307985 571394925 /nfs/dbraw/zinc/39/49/25/571394925.db2.gz YWRTZFAYYHHQCV-UHFFFAOYSA-N 0 0 558.447 5.881 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000105311056 571396516 /nfs/dbraw/zinc/39/65/16/571396516.db2.gz ZHGZIISXFURAQH-UHFFFAOYSA-N 0 0 545.621 5.788 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000105311828 571396955 /nfs/dbraw/zinc/39/69/55/571396955.db2.gz DCFJYLUQROUTPH-UHFFFAOYSA-N 0 0 606.321 6.832 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105312855 571397444 /nfs/dbraw/zinc/39/74/44/571397444.db2.gz ADWKHRZQVQGNMK-UHFFFAOYSA-N 0 0 559.648 6.262 40 5 KKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105313607 571397992 /nfs/dbraw/zinc/39/79/92/571397992.db2.gz LIGLLKDGKDXWFH-UHFFFAOYSA-N 0 0 543.653 5.317 40 5 KKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105314350 571398435 /nfs/dbraw/zinc/39/84/35/571398435.db2.gz RWEOULVUOCDVSZ-UHFFFAOYSA-N 0 0 551.632 5.517 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1[N+](=O)[O-] ZINC000105314971 571398775 /nfs/dbraw/zinc/39/87/75/571398775.db2.gz CIOPPNZFCHXRPP-UHFFFAOYSA-N 0 0 528.974 5.035 40 5 KKBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000105315416 571399006 /nfs/dbraw/zinc/39/90/06/571399006.db2.gz TXAMAGYYMBNIGO-UHFFFAOYSA-N 0 0 558.616 5.494 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105316293 571399579 /nfs/dbraw/zinc/39/95/79/571399579.db2.gz RDFDHCLSVATWSJ-UHFFFAOYSA-N 0 0 590.061 5.597 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000105316795 571399809 /nfs/dbraw/zinc/39/98/09/571399809.db2.gz JJKKLXGGBVAPCA-UHFFFAOYSA-N 0 0 556.044 5.084 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105317608 571400356 /nfs/dbraw/zinc/40/03/56/571400356.db2.gz XZKWMNWCJBMNDZ-UHFFFAOYSA-N 0 0 613.165 5.389 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105318231 571400714 /nfs/dbraw/zinc/40/07/14/571400714.db2.gz MINCBDIIPXVKMV-UHFFFAOYSA-N 0 0 576.078 5.957 40 5 KKBBRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000105319223 571401413 /nfs/dbraw/zinc/40/14/13/571401413.db2.gz INMONUPTEAJJDZ-UHFFFAOYSA-N 0 0 567.646 7.302 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222815455 571401476 /nfs/dbraw/zinc/40/14/76/571401476.db2.gz FHWBBWQQJIEQAC-PMERELPUSA-N 0 0 734.058 6.453 40 5 KKBBRN Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000105319495 571401515 /nfs/dbraw/zinc/40/15/15/571401515.db2.gz MTSVZNWDZVMNLF-UHFFFAOYSA-N 0 0 547.228 6.957 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105321872 571402779 /nfs/dbraw/zinc/40/27/79/571402779.db2.gz KJKMRTOVZWTLBJ-UHFFFAOYSA-N 0 0 530.968 5.723 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105322519 571403116 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CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 ZINC000105513457 571407056 /nfs/dbraw/zinc/40/70/56/571407056.db2.gz SQGFWLDELGHQIA-SMSORMJASA-N 0 0 624.162 9.243 40 5 KKBBRN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105576412 571407672 /nfs/dbraw/zinc/40/76/72/571407672.db2.gz OSRWWPQVRQHDFA-UHFFFAOYSA-N 0 0 521.467 5.463 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222878491 571408975 /nfs/dbraw/zinc/40/89/75/571408975.db2.gz RNFULGBJBBJQPT-JGCGQSQUSA-N 0 0 697.641 6.509 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222888815 571409979 /nfs/dbraw/zinc/40/99/79/571409979.db2.gz PEDWJMJYCZVUTJ-MHZLTWQESA-N 0 0 635.570 5.080 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000106210381 571411663 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ZINC000123229431 571448191 /nfs/dbraw/zinc/44/81/91/571448191.db2.gz IEVVBUBYACFXQB-GJQQSYTOSA-N 0 0 510.159 7.656 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223262311 571452217 /nfs/dbraw/zinc/45/22/17/571452217.db2.gz WIASPXCCUCCSSL-AJTFRIOCSA-N 0 0 519.667 5.383 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223269266 571452847 /nfs/dbraw/zinc/45/28/47/571452847.db2.gz KMWWUWWBCLASPR-HVIPQOSHSA-N 0 0 628.751 5.345 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223269400 571452878 /nfs/dbraw/zinc/45/28/78/571452878.db2.gz XNJMBJQLMWTBLH-HVIPQOSHSA-N 0 0 628.751 5.345 40 5 KKBBRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000139305705 571453055 /nfs/dbraw/zinc/45/30/55/571453055.db2.gz MYYCJJWNRGEPOV-UHFFFAOYSA-N 0 0 545.046 5.601 40 5 KKBBRN 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/nfs/dbraw/zinc/45/90/00/571459000.db2.gz DCWVYNINOMSNGW-JLNIMSJUSA-N 0 0 681.542 7.546 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223319628 571459965 /nfs/dbraw/zinc/45/99/65/571459965.db2.gz BXBRPKCSODVSJL-RUZDIDTESA-N 0 0 526.058 5.258 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223323042 571460408 /nfs/dbraw/zinc/46/04/08/571460408.db2.gz DLZDQVWKZAYJGI-SANMLTNESA-N 0 0 601.125 5.166 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223325876 571460831 /nfs/dbraw/zinc/46/08/31/571460831.db2.gz OXLFLTJQWBPIHS-PMERELPUSA-N 0 0 635.142 5.220 40 5 KKBBRN O=c1c2ccccc2c(=O)c2c3[nH]c4c(ccc5c(=O)c6c7[nH]c8c(ccc9c(=O)c%10ccccc%10c(=O)c89)c7ccc6c(=O)c45)c3ccc12 ZINC000150350078 571461749 /nfs/dbraw/zinc/46/17/49/571461749.db2.gz CVWSULASWLZVCH-UHFFFAOYSA-N 0 0 646.614 6.349 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccc(Oc3ccc(-c4nc(-c5ccc(Br)cc5)[nH]c4-c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000150351393 571462276 /nfs/dbraw/zinc/46/22/76/571462276.db2.gz ORPYJYZJJLHLSK-UHFFFAOYSA-N 0 0 854.515 12.269 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223339061 571462647 /nfs/dbraw/zinc/46/26/47/571462647.db2.gz VBLDSIPJPBDCSF-RUZDIDTESA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223342212 571463154 /nfs/dbraw/zinc/46/31/54/571463154.db2.gz NFGFCAJHTXUBNH-NDOVKIIASA-N 0 0 721.276 6.624 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000150362852 571464082 /nfs/dbraw/zinc/46/40/82/571464082.db2.gz VMAQFJFSBJWACY-IPAKXIGBSA-N 0 0 735.479 7.392 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150368783 571465502 /nfs/dbraw/zinc/46/55/02/571465502.db2.gz KTUZRTVMOQIDCS-YIECNSLDSA-N 0 0 630.078 5.782 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223368251 571466494 /nfs/dbraw/zinc/46/64/94/571466494.db2.gz AWNQUNRZVMAAGG-AREMUKBSSA-N 0 0 601.125 5.166 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223379046 571468158 /nfs/dbraw/zinc/46/81/58/571468158.db2.gz VXTLHZSZPMBNNC-MRXNPFEDSA-N 0 0 512.459 5.468 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150385998 571469181 /nfs/dbraw/zinc/46/91/81/571469181.db2.gz JGJINNUUOVZJFC-WSDLNYQXSA-N 0 0 636.851 6.677 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223394423 571470758 /nfs/dbraw/zinc/47/07/58/571470758.db2.gz APXMWRPEKZANLC-JADSYQMUSA-N 0 0 686.831 5.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000150389521 571471874 /nfs/dbraw/zinc/47/18/74/571471874.db2.gz AYFUOHOFTNJEDT-KCQXITDRSA-N 0 0 668.522 5.055 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223432001 571475601 /nfs/dbraw/zinc/47/56/01/571475601.db2.gz WHJBRILSKCHHKU-LXFBAYGMSA-N 0 0 533.694 5.691 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150394815 571475644 /nfs/dbraw/zinc/47/56/44/571475644.db2.gz KSZQVHUBCANYDV-FQWZWQHVSA-N 0 0 630.053 5.896 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223432395 571475697 /nfs/dbraw/zinc/47/56/97/571475697.db2.gz BISPNZVHQGFHKM-WJOKGBTCSA-N 0 0 697.185 5.676 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150395237 571475799 /nfs/dbraw/zinc/47/57/99/571475799.db2.gz MHXKHPQSHYWRGT-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150395265 571475967 /nfs/dbraw/zinc/47/59/67/571475967.db2.gz XALUKAMYPHGNLA-POKSHJSXSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150395392 571475969 /nfs/dbraw/zinc/47/59/69/571475969.db2.gz WDAVDZSCFUPELN-QAYABBAVSA-N 0 0 676.534 6.419 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395626 571476031 /nfs/dbraw/zinc/47/60/31/571476031.db2.gz LPDPZDJRWMOVFX-WGJPBTIMSA-N 0 0 651.697 5.429 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150395645 571476089 /nfs/dbraw/zinc/47/60/89/571476089.db2.gz DIGHEOFVVWMKMO-KMCFWPMWSA-N 0 0 667.696 5.130 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395724 571476118 /nfs/dbraw/zinc/47/61/18/571476118.db2.gz OZSHRFLDBOOXNK-CTHKJOMYSA-N 0 0 716.566 5.884 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150396654 571476614 /nfs/dbraw/zinc/47/66/14/571476614.db2.gz LKCWYMLGKPOBIR-POKSHJSXSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150396754 571476654 /nfs/dbraw/zinc/47/66/54/571476654.db2.gz WVLPIJZOJONSMV-KUSDHMTMSA-N 0 0 637.670 5.121 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223439001 571476733 /nfs/dbraw/zinc/47/67/33/571476733.db2.gz MVAAUTYWSRRLLU-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 ZINC000150396954 571476756 /nfs/dbraw/zinc/47/67/56/571476756.db2.gz UTZHGTSNHGVOPT-PKYOQBLNSA-N 0 0 627.078 5.704 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000150397197 571476770 /nfs/dbraw/zinc/47/67/70/571476770.db2.gz QLUOCLROGNQLNP-ISZRBDKASA-N 0 0 634.714 6.174 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 ZINC000150397195 571476789 /nfs/dbraw/zinc/47/67/89/571476789.db2.gz IGJCPYTUZRIHIE-HZHHUVPKSA-N 0 0 634.714 6.174 40 5 KKBBRN O=C1c2ccc(OCCCCOc3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000150397568 571476940 /nfs/dbraw/zinc/47/69/40/571476940.db2.gz ACDYFUOOBZMOAS-UHFFFAOYSA-N 0 0 622.546 5.342 40 5 KKBBRN O=C(Nc1ccc(OCCCCOc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150397505 571476953 /nfs/dbraw/zinc/47/69/53/571476953.db2.gz ARIBPDJZLQJBHG-UHFFFAOYSA-N 0 0 660.552 6.062 40 5 KKBBRN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000150397417 571476955 /nfs/dbraw/zinc/47/69/55/571476955.db2.gz IDMZNZQCQSAUNV-UHFFFAOYSA-N 0 0 698.556 5.543 40 5 KKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223442186 571477236 /nfs/dbraw/zinc/47/72/36/571477236.db2.gz VXFJWXLRQHCUBC-CLJLJLNGSA-N 0 0 516.579 5.440 40 5 KKBBRN O=C(Nc1ccc2c(c1)OCCOCCOc1cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc1OCCOCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000150401714 571478373 /nfs/dbraw/zinc/47/83/73/571478373.db2.gz GDYBADBWLWWMEU-UHFFFAOYSA-N 0 0 688.646 5.270 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223457569 571479458 /nfs/dbraw/zinc/47/94/58/571479458.db2.gz QMULVACHXRARNS-SANMLTNESA-N 0 0 635.570 5.819 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1 ZINC000150413031 571484488 /nfs/dbraw/zinc/48/44/88/571484488.db2.gz QTHVZLIFIGJCNJ-UHFFFAOYSA-N 0 0 740.553 7.019 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223489900 571485878 /nfs/dbraw/zinc/48/58/78/571485878.db2.gz CTYBCVXPLUEHNF-FQRUVTKNSA-N 0 0 508.018 5.346 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223495818 571486885 /nfs/dbraw/zinc/48/68/85/571486885.db2.gz NOYSKQKFBGBICQ-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN O=C(Nc1nc2ccc(S(=O)(=O)c3ccc4nc(NC(=O)c5ccc([N+](=O)[O-])cc5)sc4c3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000150419754 571487065 /nfs/dbraw/zinc/48/70/65/571487065.db2.gz MAMKALUVWGUUEY-UHFFFAOYSA-N 0 0 660.671 6.060 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224157208 571487810 /nfs/dbraw/zinc/48/78/10/571487810.db2.gz ADRUCLGZSBDDHS-AREMUKBSSA-N 0 0 540.085 5.648 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224162986 571488706 /nfs/dbraw/zinc/48/87/06/571488706.db2.gz HNFLJEIYSMELNM-WJOKGBTCSA-N 0 0 649.169 5.610 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223510962 571490191 /nfs/dbraw/zinc/49/01/91/571490191.db2.gz IFAJFIGFOVYSSZ-INJOXJOKSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223516155 571491666 /nfs/dbraw/zinc/49/16/66/571491666.db2.gz RBVXHSVPLUOLGQ-HHHXNRCGSA-N 0 0 679.623 6.136 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224200258 571495067 /nfs/dbraw/zinc/49/50/67/571495067.db2.gz ZKPYPSZTKZMGGT-YTTGMZPUSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223530781 571495501 /nfs/dbraw/zinc/49/55/01/571495501.db2.gz RHVFECYNXRQJDH-FQRUVTKNSA-N 0 0 554.043 5.190 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150436880 571496448 /nfs/dbraw/zinc/49/64/48/571496448.db2.gz AZARJFNQYOMLRF-PKTNWEFCSA-N 0 0 644.434 5.636 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223534340 571496555 /nfs/dbraw/zinc/49/65/55/571496555.db2.gz YMALEXHMFSLGBB-IBGZPJMESA-N 0 0 526.417 5.011 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224219143 571499616 /nfs/dbraw/zinc/49/96/16/571499616.db2.gz JNXPYZPRVNAUIT-XIFFEERXSA-N 0 0 693.222 5.927 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224223133 571500567 /nfs/dbraw/zinc/50/05/67/571500567.db2.gz BGPCVFGQWVRBQM-YTTGMZPUSA-N 0 0 727.667 6.580 40 5 KKBBRN O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000150446951 571501137 /nfs/dbraw/zinc/50/11/37/571501137.db2.gz MOOJPNRGKHQMOC-UHFFFAOYSA-N 0 0 677.003 6.473 40 5 KKBBRN CC(C)(C)c1cc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4c(=O)c3c2)cc(C(C)(C)C)c1 ZINC000150452833 571503397 /nfs/dbraw/zinc/50/33/97/571503397.db2.gz NDMVUQZEKUFNSY-UHFFFAOYSA-N 0 0 658.883 10.641 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2cc(S(=O)(=O)c3ccc(Cl)c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)ccc2Cl)c([N+](=O)[O-])c1 ZINC000150453413 571503558 /nfs/dbraw/zinc/50/35/58/571503558.db2.gz SMDDKTUCQLNNLZ-UHFFFAOYSA-N 0 0 683.485 7.761 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000150454867 571504097 /nfs/dbraw/zinc/50/40/97/571504097.db2.gz KDHBVFJYPDGNMV-NHDPSOOVSA-N 0 0 683.172 7.698 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000150454883 571504100 /nfs/dbraw/zinc/50/41/00/571504100.db2.gz KCQXYCBKGSSDBT-DTXPUJKBSA-N 0 0 629.647 5.202 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150454748 571504131 /nfs/dbraw/zinc/50/41/31/571504131.db2.gz SFFGALBEOUKZCX-QRVIBDJDSA-N 0 0 648.329 7.334 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000150454644 571504134 /nfs/dbraw/zinc/50/41/34/571504134.db2.gz UZSZDOPTLKOFEW-KSEXSDGBSA-N 0 0 634.302 6.944 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000150454889 571504137 /nfs/dbraw/zinc/50/41/37/571504137.db2.gz KCQXYCBKGSSDBT-JBOQNHBVSA-N 0 0 629.647 5.202 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000150454881 571504219 /nfs/dbraw/zinc/50/42/19/571504219.db2.gz KCQXYCBKGSSDBT-NGDRWEMDSA-N 0 0 629.647 5.202 40 5 KKBBRN O=C(Nc1ccccc1)C(Cn1c2ccc([N+](=O)[O-])cc2nc1SC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000150461537 571506378 /nfs/dbraw/zinc/50/63/78/571506378.db2.gz LAQMZANOYOKDNX-UHFFFAOYSA-N 0 0 713.776 6.576 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150463860 571507519 /nfs/dbraw/zinc/50/75/19/571507519.db2.gz JZMPIGBREFIMOY-NHDPSOOVSA-N 0 0 622.266 7.074 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223587916 571508519 /nfs/dbraw/zinc/50/85/19/571508519.db2.gz UZEVVNSKPRJPED-RXFWQSSRSA-N 0 0 554.043 5.190 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224264175 571509536 /nfs/dbraw/zinc/50/95/36/571509536.db2.gz GUKLVAVXEJYHHK-YTTGMZPUSA-N 0 0 642.778 5.653 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000150472412 571509899 /nfs/dbraw/zinc/50/98/99/571509899.db2.gz NZFWINXEEICSKK-RGFRMHDHSA-N 0 0 636.151 5.910 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000150473102 571510063 /nfs/dbraw/zinc/51/00/63/571510063.db2.gz MQIOIVLVBRQDCM-KMBIYUNPSA-N 0 0 626.543 6.165 40 5 KKBBRN O=C(Oc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br)c1ccc(Cl)cc1 ZINC000150475258 571510712 /nfs/dbraw/zinc/51/07/12/571510712.db2.gz CGXHEOJAZDUBRP-UHFFFAOYSA-N 0 0 650.290 6.919 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223601333 571511231 /nfs/dbraw/zinc/51/12/31/571511231.db2.gz TUYAMMRDHWIPMD-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223609142 571513058 /nfs/dbraw/zinc/51/30/58/571513058.db2.gz JDZHFVHOCBKRQK-ZOYWYXQUSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223608860 571513079 /nfs/dbraw/zinc/51/30/79/571513079.db2.gz JUZRAMXYFNSNMU-AREMUKBSSA-N 0 0 675.204 5.491 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224290771 571514615 /nfs/dbraw/zinc/51/46/15/571514615.db2.gz OVQXHMOEJWUJPM-DEOSSOPVSA-N 0 0 651.569 5.357 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223623840 571515976 /nfs/dbraw/zinc/51/59/76/571515976.db2.gz UFZVKGGUJJZBCZ-INJOXJOKSA-N 0 0 741.694 6.969 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223631654 571517123 /nfs/dbraw/zinc/51/71/23/571517123.db2.gz SSPQVKACSVQSBD-XMMPIXPASA-N 0 0 560.434 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150492538 571517237 /nfs/dbraw/zinc/51/72/37/571517237.db2.gz JKDUVCMZFAACKV-NAIWQIQESA-N 0 0 630.078 5.782 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000150492691 571517404 /nfs/dbraw/zinc/51/74/04/571517404.db2.gz PDDQINPLBQOQMW-LCQSEVKBSA-N 0 0 659.493 5.944 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223642416 571519135 /nfs/dbraw/zinc/51/91/35/571519135.db2.gz DVZCMILBCXBLQJ-FQRUVTKNSA-N 0 0 554.043 5.190 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224322452 571521693 /nfs/dbraw/zinc/52/16/93/571521693.db2.gz ZCWORRYNTOVTEK-FQEVSTJZSA-N 0 0 621.543 5.286 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224333125 571523860 /nfs/dbraw/zinc/52/38/60/571523860.db2.gz HHZQFCFGRVPWQL-NDEPHWFRSA-N 0 0 613.136 5.310 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000150629719 571524045 /nfs/dbraw/zinc/52/40/45/571524045.db2.gz FMHMOJJTGSOJRZ-UHFFFAOYSA-N 0 0 629.557 8.947 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150640419 571524601 /nfs/dbraw/zinc/52/46/01/571524601.db2.gz GZVATDIWKDMFSO-OINPTKSXSA-N 0 0 626.090 6.066 40 5 KKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000224351394 571528250 /nfs/dbraw/zinc/52/82/50/571528250.db2.gz AWHLQNRDGNORLO-UIOOFZCWSA-N 0 0 500.580 5.998 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223693629 571528353 /nfs/dbraw/zinc/52/83/53/571528353.db2.gz JPYQKZRIDRVQCY-PMERELPUSA-N 0 0 669.587 5.873 40 5 KKBBRN O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000161944523 571531734 /nfs/dbraw/zinc/53/17/34/571531734.db2.gz PEFDLEDBXOVHRS-UHFFFAOYSA-N 0 0 677.400 6.360 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161987047 571531979 /nfs/dbraw/zinc/53/19/79/571531979.db2.gz SAJGSUGYNSJJTM-UHFFFAOYSA-N 0 0 652.001 6.657 40 5 KKBBRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000161991055 571532106 /nfs/dbraw/zinc/53/21/06/571532106.db2.gz APGAXOHEGOJTSF-UHFFFAOYSA-N 0 0 618.307 6.485 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224373027 571532572 /nfs/dbraw/zinc/53/25/72/571532572.db2.gz XWONPXOELFWDQN-YTTGMZPUSA-N 0 0 741.694 6.969 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n31)c1ccccc1CC2 ZINC000163200979 571532905 /nfs/dbraw/zinc/53/29/05/571532905.db2.gz ZOJYUJBFCGXDRJ-PSANAXBTSA-N 0 0 712.831 8.360 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163219571 571533329 /nfs/dbraw/zinc/53/33/29/571533329.db2.gz QKYNQOUUDLLUIS-JAYSWQADSA-N 0 0 638.496 5.046 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223726357 571533558 /nfs/dbraw/zinc/53/35/58/571533558.db2.gz BCEBGWNSNMNXHE-HHHXNRCGSA-N 0 0 659.205 5.793 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000163228392 571533635 /nfs/dbraw/zinc/53/36/35/571533635.db2.gz YBAUQKNOFFVEHG-UHSYMONFSA-N 0 0 680.580 6.577 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 ZINC000224383700 571535019 /nfs/dbraw/zinc/53/50/19/571535019.db2.gz BXIUFTSRRYPRBH-SXOMAYOGSA-N 0 0 514.607 6.559 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000163453916 571535535 /nfs/dbraw/zinc/53/55/35/571535535.db2.gz RZSZITODUJXZSK-IMUCPKNRSA-N 0 0 656.717 6.311 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000163468869 571536016 /nfs/dbraw/zinc/53/60/16/571536016.db2.gz YZXFJEAETYREDI-HRDPZVOISA-N 0 0 689.790 6.983 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163564661 571536641 /nfs/dbraw/zinc/53/66/41/571536641.db2.gz MRBDPGYQYSPPJB-NFYDWNOTSA-N 0 0 731.394 5.950 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224396961 571537322 /nfs/dbraw/zinc/53/73/22/571537322.db2.gz VEZRBMXGOCIELL-HKBQPEDESA-N 0 0 646.741 5.484 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163615056 571537949 /nfs/dbraw/zinc/53/79/49/571537949.db2.gz JAJBCUVPVAZMDS-DKOMQPSQSA-N 0 0 804.368 6.739 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163657454 571539486 /nfs/dbraw/zinc/53/94/86/571539486.db2.gz HQABVWFMCAXUNP-VVNKCDPRSA-N 0 0 752.949 6.252 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000163751087 571542694 /nfs/dbraw/zinc/54/26/94/571542694.db2.gz HFGGCGSMJACMEX-ZSJKCPIUSA-N 0 0 695.504 5.178 40 5 KKBBRN O=c1/c(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163770405 571543163 /nfs/dbraw/zinc/54/31/63/571543163.db2.gz LTYJFFLJOAFIGK-XDYZZPCYSA-N 0 0 684.999 7.222 40 5 KKBBRN C[C@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000163941394 571543589 /nfs/dbraw/zinc/54/35/89/571543589.db2.gz JYVXLXLGVVOETR-WTYVLRPYSA-N 0 0 665.127 7.272 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5Cl)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000163948338 571543600 /nfs/dbraw/zinc/54/36/00/571543600.db2.gz JHFQYTYYXSNFEK-UHFFFAOYSA-N 0 0 718.242 7.576 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccc(C)c(C)c4)n3-c3ccccc3)cc2s1 ZINC000164035854 571544022 /nfs/dbraw/zinc/54/40/22/571544022.db2.gz NKKOWRCKTGQVRS-UHFFFAOYSA-N 0 0 698.852 8.013 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164099288 571544270 /nfs/dbraw/zinc/54/42/70/571544270.db2.gz GEUYSUWZTQTQCV-HWMKKPCCSA-N 0 0 618.473 6.933 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224431026 571544323 /nfs/dbraw/zinc/54/43/23/571544323.db2.gz GYKHIJBNAAGUGF-WJOKGBTCSA-N 0 0 646.741 5.484 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2=N1 ZINC000164187058 571544563 /nfs/dbraw/zinc/54/45/63/571544563.db2.gz YFFONFZIEFBMNJ-KAEGSSFASA-N 0 0 674.688 5.204 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224441122 571546603 /nfs/dbraw/zinc/54/66/03/571546603.db2.gz KZAPNNHQAJWXRQ-YTTGMZPUSA-N 0 0 725.239 6.454 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164513909 571549022 /nfs/dbraw/zinc/54/90/22/571549022.db2.gz SPWZSIHBJJIKAP-DAIZXWHWSA-N 0 0 647.709 5.431 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223805508 571549032 /nfs/dbraw/zinc/54/90/32/571549032.db2.gz SYIWZCJJLGMLMO-AREMUKBSSA-N 0 0 679.623 6.138 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223805467 571549034 /nfs/dbraw/zinc/54/90/34/571549034.db2.gz SNCOCXHJHQJOEK-FNZWTVRRSA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000164513034 571549057 /nfs/dbraw/zinc/54/90/57/571549057.db2.gz NFRFNYPPJNTGOQ-URFJJRPFSA-N 0 0 648.653 5.544 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223805442 571549077 /nfs/dbraw/zinc/54/90/77/571549077.db2.gz SNCOCXHJHQJOEK-FQRUVTKNSA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164516144 571549110 /nfs/dbraw/zinc/54/91/10/571549110.db2.gz FSMRFNJOIABXCU-WGJPBTIMSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000164514659 571549126 /nfs/dbraw/zinc/54/91/26/571549126.db2.gz FEOQBBXRPNYAGZ-QZVQSRICSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164534393 571549491 /nfs/dbraw/zinc/54/94/91/571549491.db2.gz NLDQYMSXPQRGMN-JOHYPREOSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164540357 571549564 /nfs/dbraw/zinc/54/95/64/571549564.db2.gz LTODSCGRYKWPBL-SWBDNCPRSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164539187 571549572 /nfs/dbraw/zinc/54/95/72/571549572.db2.gz HPFKXNQVQGFTMU-DFXMODJXSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164539323 571549615 /nfs/dbraw/zinc/54/96/15/571549615.db2.gz WOVXVCMADOWPHH-DTDQMKFYSA-N 0 0 678.679 5.553 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223806448 571549690 /nfs/dbraw/zinc/54/96/90/571549690.db2.gz ASCIPKBRDNSZCJ-ZOYWYXQUSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164537478 571549698 /nfs/dbraw/zinc/54/96/98/571549698.db2.gz IOIASHHUIIKEMU-DAIZXWHWSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164552419 571549850 /nfs/dbraw/zinc/54/98/50/571549850.db2.gz HJKLFTRYQNDIII-KMCFWPMWSA-N 0 0 805.501 6.956 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224461028 571551152 /nfs/dbraw/zinc/55/11/52/571551152.db2.gz NYZKMTHACWYHSI-VWLOTQADSA-N 0 0 552.469 5.455 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224464674 571552013 /nfs/dbraw/zinc/55/20/13/571552013.db2.gz WNFBJNCVKNPDJD-HKBQPEDESA-N 0 0 707.647 6.107 40 5 KKBBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 ZINC000167231396 571552818 /nfs/dbraw/zinc/55/28/18/571552818.db2.gz MGRXYAWZHPPKMD-JOCHJYFZSA-N 0 0 565.681 5.013 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224472386 571553948 /nfs/dbraw/zinc/55/39/48/571553948.db2.gz BTZIVXUVJYRPTB-HHHXNRCGSA-N 0 0 726.079 6.934 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224479690 571555827 /nfs/dbraw/zinc/55/58/27/571555827.db2.gz MTBKYQPAMXOMIB-RPWUZVMVSA-N 0 0 506.971 6.089 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223820299 571555846 /nfs/dbraw/zinc/55/58/46/571555846.db2.gz RUPZCTQPHKSMHN-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223823612 571556690 /nfs/dbraw/zinc/55/66/90/571556690.db2.gz MGYVPRWQVNFDRX-NFQMXDRXSA-N 0 0 665.596 5.231 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223829967 571557811 /nfs/dbraw/zinc/55/78/11/571557811.db2.gz IXGAIIZKQBWRJA-NDEPHWFRSA-N 0 0 679.623 6.138 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223848688 571561246 /nfs/dbraw/zinc/56/12/46/571561246.db2.gz KYQHKYJWLFOYJO-HXUWFJFHSA-N 0 0 526.417 5.013 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223857089 571562700 /nfs/dbraw/zinc/56/27/00/571562700.db2.gz GYSZYGSCGBXMPJ-NIYFSFCBSA-N 0 0 542.463 5.999 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224507315 571562819 /nfs/dbraw/zinc/56/28/19/571562819.db2.gz UKZNWKTWYMUZCW-PKTZIBPZSA-N 0 0 520.412 5.720 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223863422 571563895 /nfs/dbraw/zinc/56/38/95/571563895.db2.gz YXKOFFPRTMZTEZ-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197695987 571564364 /nfs/dbraw/zinc/56/43/64/571564364.db2.gz ZBZFCFNGHXFVBX-CRCYZHLCSA-N 0 0 588.483 5.388 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197764410 571564550 /nfs/dbraw/zinc/56/45/50/571564550.db2.gz QIVACMBTMSYRCJ-QFIPXVFZSA-N 0 0 600.126 5.841 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224521000 571565484 /nfs/dbraw/zinc/56/54/84/571565484.db2.gz ICNJELBKGFXSFK-MHZLTWQESA-N 0 0 635.570 5.142 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000198316831 571567634 /nfs/dbraw/zinc/56/76/34/571567634.db2.gz MTKCXVHMWSGJKA-UHFFFAOYSA-N 0 0 635.507 5.536 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224537117 571569259 /nfs/dbraw/zinc/56/92/59/571569259.db2.gz XGARJWGFNRZSIH-SANMLTNESA-N 0 0 645.178 5.340 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205652771 571569538 /nfs/dbraw/zinc/56/95/38/571569538.db2.gz PMBIWHALVLSIAA-KTZMUZOWSA-N 0 0 599.961 6.313 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205687787 571570076 /nfs/dbraw/zinc/57/00/76/571570076.db2.gz JRQCIDBSRAAWGT-YDZHTSKRSA-N 0 0 661.430 6.322 40 5 KKBBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000205700036 571570275 /nfs/dbraw/zinc/57/02/75/571570275.db2.gz KWMYNVHNDHWFGW-CIAFOILYSA-N 0 0 512.927 5.921 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205701858 571570244 /nfs/dbraw/zinc/57/02/44/571570244.db2.gz IOPMVUMTBNELDJ-CVKSISIWSA-N 0 0 530.989 7.217 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000205700216 571570264 /nfs/dbraw/zinc/57/02/64/571570264.db2.gz SMXNXTKRHVKLMA-WSDLNYQXSA-N 0 0 636.851 6.677 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000205702993 571570280 /nfs/dbraw/zinc/57/02/80/571570280.db2.gz TXLVIJQSCVJKFI-JVWAILMASA-N 0 0 666.493 7.567 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205757590 571570625 /nfs/dbraw/zinc/57/06/25/571570625.db2.gz RJYMBEFQSYZXNA-GIJQJNRQSA-N 0 0 510.446 5.394 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCCCC1 ZINC000205798760 571571293 /nfs/dbraw/zinc/57/12/93/571571293.db2.gz JFHANFBDASEUGT-UDWIEESQSA-N 0 0 535.500 5.455 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224552208 571572828 /nfs/dbraw/zinc/57/28/28/571572828.db2.gz FDIMRONPBYJRCW-XIFFEERXSA-N 0 0 727.667 6.580 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224554787 571573313 /nfs/dbraw/zinc/57/33/13/571573313.db2.gz AGDVMWODSYSXTA-SANMLTNESA-N 0 0 588.557 6.690 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223911780 571573531 /nfs/dbraw/zinc/57/35/31/571573531.db2.gz JCNAUVRAIRIUMN-FQEVSTJZSA-N 0 0 696.020 5.467 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223912859 571573958 /nfs/dbraw/zinc/57/39/58/571573958.db2.gz PFUKQJBHZUIHAV-BCHFMIIMSA-N 0 0 542.463 5.999 40 5 KKBBRN O=C(Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 ZINC000210091688 571575459 /nfs/dbraw/zinc/57/54/59/571575459.db2.gz QWGIYXBLCMVMOG-AGAROLQYSA-N 0 0 694.769 8.737 40 5 KKBBRN O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000211440165 571576306 /nfs/dbraw/zinc/57/63/06/571576306.db2.gz RMXJTTOOCIOAGD-SVSZWNMCSA-N 0 0 719.175 7.874 40 5 KKBBRN Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)o1 ZINC000211436187 571576399 /nfs/dbraw/zinc/57/63/99/571576399.db2.gz UOYUVAYFFRAZPI-IEMMCJMXSA-N 0 0 596.621 5.330 40 5 KKBBRN O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=Cc1cccc(F)c1)NC(=O)c1ccccc1 ZINC000211444458 571576512 /nfs/dbraw/zinc/57/65/12/571576512.db2.gz OBIVSTWMSFMDMW-GSJFZTJBSA-N 0 0 610.623 5.568 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(NC(=O)/C(=C\c2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc1 ZINC000211528498 571576775 /nfs/dbraw/zinc/57/67/75/571576775.db2.gz JMSARYDUTLXPLF-OCSSWDANSA-N 0 0 605.676 6.525 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214086156 571577332 /nfs/dbraw/zinc/57/73/32/571577332.db2.gz ZOSHDVBNQKEPNR-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214086474 571577362 /nfs/dbraw/zinc/57/73/62/571577362.db2.gz WHFIAIQEZYYGCQ-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214081222 571577434 /nfs/dbraw/zinc/57/74/34/571577434.db2.gz XLMFTWHGCAJWJB-FSJBWODESA-N 0 0 578.952 7.695 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214093603 571577597 /nfs/dbraw/zinc/57/75/97/571577597.db2.gz GVDITRGHHHSTFJ-FSJBWODESA-N 0 0 510.955 6.072 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214130140 571577758 /nfs/dbraw/zinc/57/77/58/571577758.db2.gz TUDOZMCCKNFBDH-SRZZPIQSSA-N 0 0 534.899 7.296 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224576039 571578405 /nfs/dbraw/zinc/57/84/05/571578405.db2.gz TZCLTNLZIMYOJL-HHHXNRCGSA-N 0 0 535.666 5.003 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214370846 571578775 /nfs/dbraw/zinc/57/87/75/571578775.db2.gz MRMVJJHTLSYTRF-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214382288 571578784 /nfs/dbraw/zinc/57/87/84/571578784.db2.gz RGRSOLPJHLOWBK-SRZZPIQSSA-N 0 0 525.470 5.680 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214399701 571578933 /nfs/dbraw/zinc/57/89/33/571578933.db2.gz INPAWQKDMKVURT-AUEPDCJTSA-N 0 0 613.397 8.348 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214419639 571579104 /nfs/dbraw/zinc/57/91/04/571579104.db2.gz QMQMUVLGOZSXIK-FOKLQQMPSA-N 0 0 638.323 7.878 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214627036 571579904 /nfs/dbraw/zinc/57/99/04/571579904.db2.gz WGQZACAWEDHLLZ-ZMOGYAJESA-N 0 0 535.534 6.239 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214769421 571580725 /nfs/dbraw/zinc/58/07/25/571580725.db2.gz UEZVSFXBLUDYQL-UFFVCSGVSA-N 0 0 576.370 6.847 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214770850 571580817 /nfs/dbraw/zinc/58/08/17/571580817.db2.gz XRFHRWZYJDZVGI-ZVBGSRNCSA-N 0 0 648.240 8.712 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214813637 571581310 /nfs/dbraw/zinc/58/13/10/571581310.db2.gz AMPXOGAGUFEMFI-FSJBWODESA-N 0 0 685.323 7.720 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214847375 571581462 /nfs/dbraw/zinc/58/14/62/571581462.db2.gz RMDYNEOEHDNVCD-DJKKODMXSA-N 0 0 554.205 7.161 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214890096 571581775 /nfs/dbraw/zinc/58/17/75/571581775.db2.gz WXQUBVBVDHMWIE-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214980846 571582155 /nfs/dbraw/zinc/58/21/55/571582155.db2.gz OQSLADJYNBXMRO-LZYBPNLTSA-N 0 0 636.205 5.439 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214997998 571582309 /nfs/dbraw/zinc/58/23/09/571582309.db2.gz SOJPHOCOAMIGOG-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000214983491 571582323 /nfs/dbraw/zinc/58/23/23/571582323.db2.gz YNNOKBIHALGEEG-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214988853 571582435 /nfs/dbraw/zinc/58/24/35/571582435.db2.gz FYOBHMDSXYNGFV-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1Cl ZINC000215004984 571582467 /nfs/dbraw/zinc/58/24/67/571582467.db2.gz LXJQVZGSJFQXNA-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215019662 571582500 /nfs/dbraw/zinc/58/25/00/571582500.db2.gz JHJNJYWEZNFQQE-ZVBGSRNCSA-N 0 0 673.166 8.242 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215013353 571582535 /nfs/dbraw/zinc/58/25/35/571582535.db2.gz RJGHOZJXYGSWLT-SRZZPIQSSA-N 0 0 552.477 5.449 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215024048 571582575 /nfs/dbraw/zinc/58/25/75/571582575.db2.gz WLRODZWVIHFREO-YDZHTSKRSA-N 0 0 521.507 5.327 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc2ccccc21 ZINC000215025263 571582580 /nfs/dbraw/zinc/58/25/80/571582580.db2.gz WQXPJLGRZXZHEL-OGLMXYFKSA-N 0 0 540.597 6.962 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000215005185 571582591 /nfs/dbraw/zinc/58/25/91/571582591.db2.gz BZFIWBNJIYHDNV-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br ZINC000215091492 571582932 /nfs/dbraw/zinc/58/29/32/571582932.db2.gz PVOUVQNMLMLIHG-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br ZINC000215085157 571582941 /nfs/dbraw/zinc/58/29/41/571582941.db2.gz LYCFJKLXAQELAU-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Br ZINC000215086431 571582950 /nfs/dbraw/zinc/58/29/50/571582950.db2.gz PRCXPPBPNOOWQJ-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000215103694 571583084 /nfs/dbraw/zinc/58/30/84/571583084.db2.gz LMZSGPCGNJEHOW-SRZZPIQSSA-N 0 0 513.369 6.471 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223956605 571583314 /nfs/dbraw/zinc/58/33/14/571583314.db2.gz UAMYXHINBIMESS-HXUWFJFHSA-N 0 0 696.020 5.467 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000223957534 571583678 /nfs/dbraw/zinc/58/36/78/571583678.db2.gz BJCRYRFEURAFMC-RRPNLBNLSA-N 0 0 527.606 5.264 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(I)cc1 ZINC000215232470 571584089 /nfs/dbraw/zinc/58/40/89/571584089.db2.gz MVGVWUGKUNUSRW-YBFXNURJSA-N 0 0 532.315 5.696 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000215250217 571584200 /nfs/dbraw/zinc/58/42/00/571584200.db2.gz YBOZJNYWWWDAIW-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)cc1Cl ZINC000215873296 571586554 /nfs/dbraw/zinc/58/65/54/571586554.db2.gz ORIOYFYKOQHQOQ-UHFFFAOYSA-N 0 0 531.999 5.549 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223974545 571586937 /nfs/dbraw/zinc/58/69/37/571586937.db2.gz VECAAXYMFHXMLG-OOOSNSGVSA-N 0 0 658.777 5.354 40 5 KKBBRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000215936159 571588664 /nfs/dbraw/zinc/58/86/64/571588664.db2.gz ZREGVEANDOPLBZ-QFIPXVFZSA-N 0 0 546.045 5.336 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223988806 571589981 /nfs/dbraw/zinc/58/99/81/571589981.db2.gz XJULNXOEOXEZHM-UVMFRMCBSA-N 0 0 737.275 6.324 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215980308 571590517 /nfs/dbraw/zinc/59/05/17/571590517.db2.gz QKNKSIYEOPIERB-UHFFFAOYSA-N 0 0 552.436 5.073 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 ZINC000223994000 571591260 /nfs/dbraw/zinc/59/12/60/571591260.db2.gz WODVRCSOQNNLPJ-CLJLJLNGSA-N 0 0 529.578 5.394 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000216037157 571592219 /nfs/dbraw/zinc/59/22/19/571592219.db2.gz RLVFKCAGXPTMKA-UHFFFAOYSA-N 0 0 516.794 5.573 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 ZINC000224647699 571594349 /nfs/dbraw/zinc/59/43/49/571594349.db2.gz PRPJKKLHSRCPSE-VMPREFPWSA-N 0 0 533.613 6.750 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000224656726 571596920 /nfs/dbraw/zinc/59/69/20/571596920.db2.gz CLCXURXJMHDUGY-VMPREFPWSA-N 0 0 534.597 7.219 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000216520371 571597294 /nfs/dbraw/zinc/59/72/94/571597294.db2.gz QVLRDSQLNBYVGI-UHFFFAOYSA-N 0 0 545.617 5.625 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000216520233 571597309 /nfs/dbraw/zinc/59/73/09/571597309.db2.gz DZNULMSVXFPCEM-UHFFFAOYSA-N 0 0 545.617 5.625 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224661550 571597889 /nfs/dbraw/zinc/59/78/89/571597889.db2.gz MIDAOZKIFSNYAH-QHCPKHFHSA-N 0 0 657.189 5.627 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224042326 571600719 /nfs/dbraw/zinc/60/07/19/571600719.db2.gz NVNWGFZPGOKQKS-UMSFTDKQSA-N 0 0 672.804 5.582 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224682760 571602887 /nfs/dbraw/zinc/60/28/87/571602887.db2.gz LVEDLIVPTBATBR-MUUNZHRXSA-N 0 0 645.178 5.340 40 5 KKBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000222050789 571604629 /nfs/dbraw/zinc/60/46/29/571604629.db2.gz GRJFAINEHRGPED-VLYKXWEESA-N 0 0 514.619 5.023 40 5 KKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000222311493 571605045 /nfs/dbraw/zinc/60/50/45/571605045.db2.gz ALEUGCUNZUDMMI-SSVHHLKVSA-N 0 0 527.374 5.781 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224691172 571605204 /nfs/dbraw/zinc/60/52/04/571605204.db2.gz CUVCIYSROWAZRZ-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224074359 571606684 /nfs/dbraw/zinc/60/66/84/571606684.db2.gz BNDXPCFWMBUOJB-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224076442 571606900 /nfs/dbraw/zinc/60/69/00/571606900.db2.gz DGRLAAZLXIJZAG-UIOOFZCWSA-N 0 0 551.024 6.106 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224076590 571606912 /nfs/dbraw/zinc/60/69/12/571606912.db2.gz DGRLAAZLXIJZAG-CLJLJLNGSA-N 0 0 551.024 6.106 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224089998 571608442 /nfs/dbraw/zinc/60/84/42/571608442.db2.gz MJQGQMPLGAQQDR-XIFFEERXSA-N 0 0 707.249 6.235 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224715584 571609187 /nfs/dbraw/zinc/60/91/87/571609187.db2.gz VGRSYZFRJSLROX-LOYHVIPDSA-N 0 0 547.640 7.058 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 ZINC000224721770 571610460 /nfs/dbraw/zinc/61/04/60/571610460.db2.gz OBMMEXLQXAYJPH-FIRIVFDPSA-N 0 0 578.650 7.536 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 ZINC000224721815 571610477 /nfs/dbraw/zinc/61/04/77/571610477.db2.gz OBMMEXLQXAYJPH-JSOSNVBQSA-N 0 0 578.650 7.536 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224722479 571610579 /nfs/dbraw/zinc/61/05/79/571610579.db2.gz VWLQMOVLEGKVPK-AREMUKBSSA-N 0 0 679.623 5.994 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224724157 571610905 /nfs/dbraw/zinc/61/09/05/571610905.db2.gz YINYARZDEPKVHW-JOCHJYFZSA-N 0 0 631.151 5.012 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224724989 571611116 /nfs/dbraw/zinc/61/11/16/571611116.db2.gz CEABISQTGQRVFY-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224112843 571611328 /nfs/dbraw/zinc/61/13/28/571611328.db2.gz SYYCIBXLDGADOL-HHHXNRCGSA-N 0 0 519.667 5.303 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224745421 571613197 /nfs/dbraw/zinc/61/31/97/571613197.db2.gz ORVNDANHCJLTHS-DEOSSOPVSA-N 0 0 671.216 5.935 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccnc3)cc2)cc1 ZINC000224762198 571614772 /nfs/dbraw/zinc/61/47/72/571614772.db2.gz SJPGECIBOJDVIU-IZLXSDGUSA-N 0 0 550.669 6.504 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccccn3)cc2)cc1 ZINC000224762086 571614781 /nfs/dbraw/zinc/61/47/81/571614781.db2.gz DUNPMUXHQHLDCS-VSGBNLITSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 ZINC000224762852 571614851 /nfs/dbraw/zinc/61/48/51/571614851.db2.gz BEGNHHVQWSSHRS-LOSJGSFVSA-N 0 0 501.637 6.263 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 ZINC000224765528 571615106 /nfs/dbraw/zinc/61/51/06/571615106.db2.gz DBTUWUGTCXQBGM-LOYHVIPDSA-N 0 0 578.723 7.121 40 5 KKBBRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224766479 571615159 /nfs/dbraw/zinc/61/51/59/571615159.db2.gz ZFKAXKTZIKPUMH-LOYHVIPDSA-N 0 0 579.707 7.117 40 5 KKBBRN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224768159 571615280 /nfs/dbraw/zinc/61/52/80/571615280.db2.gz RFZXKDDAYCXKIX-IZZNHLLZSA-N 0 0 531.663 5.766 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccco3)cc2)cc1 ZINC000224768523 571615315 /nfs/dbraw/zinc/61/53/15/571615315.db2.gz BCGLYOXTEJIAFQ-IZLXSDGUSA-N 0 0 553.669 6.761 40 5 KKBBRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224768959 571615368 /nfs/dbraw/zinc/61/53/68/571615368.db2.gz SPLJXYOTBKJVDT-IZZNHLLZSA-N 0 0 529.691 6.875 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C ZINC000224769551 571615398 /nfs/dbraw/zinc/61/53/98/571615398.db2.gz RHDOUGZMIMVBPG-IZZNHLLZSA-N 0 0 515.664 6.273 40 5 KKBBRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781034 571616466 /nfs/dbraw/zinc/61/64/66/571616466.db2.gz ANWQGRCRGSZTRO-IHLOFXLRSA-N 0 0 563.708 7.417 40 5 KKBBRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781189 571616472 /nfs/dbraw/zinc/61/64/72/571616472.db2.gz XVESCZRPHVNMAD-FIRIVFDPSA-N 0 0 592.750 7.175 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000224781485 571616501 /nfs/dbraw/zinc/61/65/01/571616501.db2.gz VDIMWWNZWHYOPU-URLMMPGGSA-N 0 0 617.678 8.128 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 ZINC000224782446 571616618 /nfs/dbraw/zinc/61/66/18/571616618.db2.gz WDCQPMFUABJSFB-WDYNHAJCSA-N 0 0 628.577 7.871 40 5 KKBBRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224782605 571616622 /nfs/dbraw/zinc/61/66/22/571616622.db2.gz FVAJKRQXIZNLAA-LOYHVIPDSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 ZINC000224782404 571616630 /nfs/dbraw/zinc/61/66/30/571616630.db2.gz WDCQPMFUABJSFB-VMPREFPWSA-N 0 0 628.577 7.871 40 5 KKBBRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224783264 571616644 /nfs/dbraw/zinc/61/66/44/571616644.db2.gz WPWCFXKSKJSNSR-JSOSNVBQSA-N 0 0 593.734 7.508 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224783865 571616716 /nfs/dbraw/zinc/61/67/16/571616716.db2.gz GJOILVNRCHFORT-WDYNHAJCSA-N 0 0 594.678 7.017 40 5 KKBBRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl ZINC000224784558 571616824 /nfs/dbraw/zinc/61/68/24/571616824.db2.gz ZUIXCTFSAJYGLS-KYJUHHDHSA-N 0 0 598.153 8.071 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 ZINC000224785330 571616928 /nfs/dbraw/zinc/61/69/28/571616928.db2.gz NMGFUSBQBVLBKN-URLMMPGGSA-N 0 0 582.732 8.062 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 ZINC000224786330 571617020 /nfs/dbraw/zinc/61/70/20/571617020.db2.gz LIKVSGQYZSJTGA-URLMMPGGSA-N 0 0 629.561 8.341 40 5 KKBBRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224786744 571617050 /nfs/dbraw/zinc/61/70/50/571617050.db2.gz NMQDWUMLNXEQOK-IOWSJCHKSA-N 0 0 594.718 7.977 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 ZINC000224787897 571617181 /nfs/dbraw/zinc/61/71/81/571617181.db2.gz KQJVKRRBSKDQGQ-URLMMPGGSA-N 0 0 619.555 8.885 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 ZINC000224788783 571617231 /nfs/dbraw/zinc/61/72/31/571617231.db2.gz CCUFLJUZAFXSKW-VMPREFPWSA-N 0 0 647.551 8.480 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 ZINC000224790721 571617432 /nfs/dbraw/zinc/61/74/32/571617432.db2.gz ZNZICFDJQCKYJJ-FQLXRVMXSA-N 0 0 555.729 7.625 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 ZINC000224790681 571617441 /nfs/dbraw/zinc/61/74/41/571617441.db2.gz ZNZICFDJQCKYJJ-URLMMPGGSA-N 0 0 555.729 7.625 40 5 KKBBRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224792350 571617559 /nfs/dbraw/zinc/61/75/59/571617559.db2.gz JOWKYAVLOOVXFN-LOYHVIPDSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224792493 571617566 /nfs/dbraw/zinc/61/75/66/571617566.db2.gz JOWKYAVLOOVXFN-KYJUHHDHSA-N 0 0 607.717 6.895 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224792935 571617612 /nfs/dbraw/zinc/61/76/12/571617612.db2.gz OLVZJVQJYOBEEB-VMPREFPWSA-N 0 0 595.662 7.486 40 5 KKBBRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224793291 571617675 /nfs/dbraw/zinc/61/76/75/571617675.db2.gz WSVZFUFJKTVENX-LOYHVIPDSA-N 0 0 608.701 7.365 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224804011 571618635 /nfs/dbraw/zinc/61/86/35/571618635.db2.gz ZSKXCGSPINHGOJ-QFIPXVFZSA-N 0 0 691.634 6.280 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224818843 571620081 /nfs/dbraw/zinc/62/00/81/571620081.db2.gz QSAZCEABOXSWBN-GDLZYMKVSA-N 0 0 545.705 5.835 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224822260 571620386 /nfs/dbraw/zinc/62/03/86/571620386.db2.gz MSZVHEBHLBVZGK-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 ZINC000224822648 571620425 /nfs/dbraw/zinc/62/04/25/571620425.db2.gz WDWBUQZCCRUXSN-FTJBHMTQSA-N 0 0 532.578 5.453 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224825680 571620747 /nfs/dbraw/zinc/62/07/47/571620747.db2.gz MVFCBJQRTVRDOG-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224828605 571621087 /nfs/dbraw/zinc/62/10/87/571621087.db2.gz BNOLICXAMBFNRT-SANMLTNESA-N 0 0 714.068 6.647 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224848381 571622855 /nfs/dbraw/zinc/62/28/55/571622855.db2.gz ROTFTENDAVWMOA-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224848892 571622908 /nfs/dbraw/zinc/62/29/08/571622908.db2.gz HOSHIWPMGVXCRJ-AREMUKBSSA-N 0 0 540.085 5.646 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224850098 571623016 /nfs/dbraw/zinc/62/30/16/571623016.db2.gz IPRIOVIZCRYRCP-QGZVFWFLSA-N 0 0 538.497 6.001 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224851540 571623138 /nfs/dbraw/zinc/62/31/38/571623138.db2.gz PHZPSZHSQJQVAZ-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224852494 571623269 /nfs/dbraw/zinc/62/32/69/571623269.db2.gz MPCRYJOHPJWETG-WJOKGBTCSA-N 0 0 649.169 5.608 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224854757 571623537 /nfs/dbraw/zinc/62/35/37/571623537.db2.gz SPFGFJDOHXCSCL-CLJLJLNGSA-N 0 0 532.578 5.453 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(C)(=O)=O ZINC000224856687 571623734 /nfs/dbraw/zinc/62/37/34/571623734.db2.gz PKJVTWVGYUZIHO-UHFFFAOYSA-N 0 0 530.606 5.108 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224863042 571624372 /nfs/dbraw/zinc/62/43/72/571624372.db2.gz MTBXCOHIVPOGPN-SANMLTNESA-N 0 0 714.068 6.647 40 5 KKBBRN Cc1c(N(Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224863794 571624464 /nfs/dbraw/zinc/62/44/64/571624464.db2.gz OGUROIUMVVEHGS-UHFFFAOYSA-N 0 0 530.606 5.108 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224876274 571625805 /nfs/dbraw/zinc/62/58/05/571625805.db2.gz ODRQXYIQNJXUTR-AREMUKBSSA-N 0 0 540.085 5.646 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224879879 571626046 /nfs/dbraw/zinc/62/60/46/571626046.db2.gz PTJPPGSCXHFTML-WJOKGBTCSA-N 0 0 649.169 5.608 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224886075 571626719 /nfs/dbraw/zinc/62/67/19/571626719.db2.gz CQEMMOVWHIKNME-IBGZPJMESA-N 0 0 607.516 5.040 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224895414 571627706 /nfs/dbraw/zinc/62/77/06/571627706.db2.gz ATRRZFDVOSNNEE-HHHXNRCGSA-N 0 0 520.029 5.490 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224897817 571627915 /nfs/dbraw/zinc/62/79/15/571627915.db2.gz GIPYRNGLCOFKJB-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224907524 571628804 /nfs/dbraw/zinc/62/88/04/571628804.db2.gz XTDYYWNVMQUCPC-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224909333 571628926 /nfs/dbraw/zinc/62/89/26/571628926.db2.gz DQDAULTVARLFQH-NRFANRHFSA-N 0 0 647.581 5.963 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224909222 571628968 /nfs/dbraw/zinc/62/89/68/571628968.db2.gz DEVBGOJJWJCSJO-NRFANRHFSA-N 0 0 647.581 5.963 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224935860 571631688 /nfs/dbraw/zinc/63/16/88/571631688.db2.gz WMEDAWFMZDKDIG-HKBQPEDESA-N 0 0 632.714 5.094 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000224938231 571631919 /nfs/dbraw/zinc/63/19/19/571631919.db2.gz LXKYYJIHZYNOOK-BJKOFHAPSA-N 0 0 534.439 6.029 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000224940669 571632194 /nfs/dbraw/zinc/63/21/94/571632194.db2.gz GXMVBUMRFXOGSZ-DNQXCXABSA-N 0 0 535.423 6.498 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224944034 571632455 /nfs/dbraw/zinc/63/24/55/571632455.db2.gz YZZAGJYFSLILPH-YTTGMZPUSA-N 0 0 711.212 6.064 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br ZINC000224946719 571632727 /nfs/dbraw/zinc/63/27/27/571632727.db2.gz LZDZFPGZPIRBQN-DNQXCXABSA-N 0 0 535.423 6.498 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224969997 571635009 /nfs/dbraw/zinc/63/50/09/571635009.db2.gz UELUOHAOCFMGFM-DNQXCXABSA-N 0 0 506.971 6.089 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224989223 571636784 /nfs/dbraw/zinc/63/67/84/571636784.db2.gz WQUZKPLFBYOLKG-MUUNZHRXSA-N 0 0 610.574 6.289 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224997546 571637705 /nfs/dbraw/zinc/63/77/05/571637705.db2.gz HMQWQTFAFGVCHV-DHUJRADRSA-N 0 0 763.711 6.569 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000225003818 571638265 /nfs/dbraw/zinc/63/82/65/571638265.db2.gz XWYFPOLMFUGRAQ-VMPREFPWSA-N 0 0 574.106 7.317 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000225003852 571638269 /nfs/dbraw/zinc/63/82/69/571638269.db2.gz XWYFPOLMFUGRAQ-WDYNHAJCSA-N 0 0 574.106 7.317 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225040683 571641299 /nfs/dbraw/zinc/64/12/99/571641299.db2.gz KDZURHGGDLPWAU-WJOKGBTCSA-N 0 0 683.614 6.262 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225043216 571641460 /nfs/dbraw/zinc/64/14/60/571641460.db2.gz WJXLGCQDGGPSBW-DHUJRADRSA-N 0 0 753.705 7.113 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225047368 571641911 /nfs/dbraw/zinc/64/19/11/571641911.db2.gz JBXWDFZEELKVKP-LJAQVGFWSA-N 0 0 661.608 5.675 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225058022 571642840 /nfs/dbraw/zinc/64/28/40/571642840.db2.gz VGWUZXCJIZTZRO-RUZDIDTESA-N 0 0 574.461 5.454 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225071449 571644105 /nfs/dbraw/zinc/64/41/05/571644105.db2.gz CPSDWGRWBRZYAM-DHIUTWEWSA-N 0 0 645.178 5.401 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225071487 571644130 /nfs/dbraw/zinc/64/41/30/571644130.db2.gz CPSDWGRWBRZYAM-XZOQPEGZSA-N 0 0 645.178 5.401 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225082391 571645534 /nfs/dbraw/zinc/64/55/34/571645534.db2.gz GDDBAMKNTJZRLR-IOWSJCHKSA-N 0 0 590.665 5.975 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225084499 571645717 /nfs/dbraw/zinc/64/57/17/571645717.db2.gz NRAVZGVOACBCHM-JSOSNVBQSA-N 0 0 591.649 6.444 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225088142 571646122 /nfs/dbraw/zinc/64/61/22/571646122.db2.gz RWUMLRQJFVFAOY-RUZDIDTESA-N 0 0 631.151 5.094 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225089815 571646270 /nfs/dbraw/zinc/64/62/70/571646270.db2.gz BJCJMFOULZWJTH-SANMLTNESA-N 0 0 574.530 6.300 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225110159 571648331 /nfs/dbraw/zinc/64/83/31/571648331.db2.gz BZFVCYLQIZMCRV-RUZDIDTESA-N 0 0 574.461 5.454 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C ZINC000225113334 571648657 /nfs/dbraw/zinc/64/86/57/571648657.db2.gz XSIZIDYDNVCYID-RRPNLBNLSA-N 0 0 571.659 6.420 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C ZINC000225116122 571648958 /nfs/dbraw/zinc/64/89/58/571648958.db2.gz QQBIQWIUZRASLU-NSOVKSMOSA-N 0 0 601.685 6.429 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000225147122 571652107 /nfs/dbraw/zinc/65/21/07/571652107.db2.gz HKXQEHJCXGXGRZ-CLJLJLNGSA-N 0 0 562.051 6.675 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225148658 571652282 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ZINC000260920839 571856048 /nfs/dbraw/zinc/85/60/48/571856048.db2.gz HTNJGCDXAGSWME-MGBGTMOVSA-N 0 0 786.145 6.935 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260922243 571859169 /nfs/dbraw/zinc/85/91/69/571859169.db2.gz MZPBYBVMHDVLAY-PGUFJCEWSA-N 0 0 751.277 6.989 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225496985 571866201 /nfs/dbraw/zinc/86/62/01/571866201.db2.gz UUENDQGITZJEDJ-MUUNZHRXSA-N 0 0 614.526 6.378 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225501463 571871523 /nfs/dbraw/zinc/87/15/23/571871523.db2.gz IJXBEUVYNPLUHC-LJAQVGFWSA-N 0 0 614.595 7.224 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225501499 571871546 /nfs/dbraw/zinc/87/15/46/571871546.db2.gz IJXBEUVYNPLUHC-GDLZYMKVSA-N 0 0 614.595 7.224 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225516966 571886682 /nfs/dbraw/zinc/88/66/82/571886682.db2.gz XFJQZBNZAULIKX-HHHXNRCGSA-N 0 0 598.563 6.147 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260938857 571892093 /nfs/dbraw/zinc/89/20/93/571892093.db2.gz RFFVBCDGAWKPBD-PGUFJCEWSA-N 0 0 767.732 7.503 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260939541 571894531 /nfs/dbraw/zinc/89/45/31/571894531.db2.gz OEOGWJLDEMFIRD-MGBGTMOVSA-N 0 0 725.239 6.312 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260942343 571898927 /nfs/dbraw/zinc/89/89/27/571898927.db2.gz IUWOBWLUDPSBJH-IBVKSMDESA-N 0 0 714.068 6.789 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225536130 571901879 /nfs/dbraw/zinc/90/18/79/571901879.db2.gz BJFXLDACZSVUFZ-CLJLJLNGSA-N 0 0 513.579 5.251 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260948295 571908874 /nfs/dbraw/zinc/90/88/74/571908874.db2.gz UQUHVCLKYIHMPN-UUWRZZSWSA-N 0 0 723.679 7.186 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225545149 571909538 /nfs/dbraw/zinc/90/95/38/571909538.db2.gz FNVMEDRTUDFUFH-JGCGQSQUSA-N 0 0 707.647 6.109 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225562445 571924472 /nfs/dbraw/zinc/92/44/72/571924472.db2.gz POSZAIZRDACMRC-VSGBNLITSA-N 0 0 541.633 5.814 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225562387 571924476 /nfs/dbraw/zinc/92/44/76/571924476.db2.gz POSZAIZRDACMRC-IZLXSDGUSA-N 0 0 541.633 5.814 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225570140 571931980 /nfs/dbraw/zinc/93/19/80/571931980.db2.gz IRLNLKHKBLCCHI-YTTGMZPUSA-N 0 0 697.641 6.653 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225583032 571942063 /nfs/dbraw/zinc/94/20/63/571942063.db2.gz NTYKSRJVWGXQLG-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260984007 571958809 /nfs/dbraw/zinc/95/88/09/571958809.db2.gz OQQGOLKCZUUZPS-GOTSBHOMSA-N 0 0 645.178 5.401 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000260988858 571966657 /nfs/dbraw/zinc/96/66/57/571966657.db2.gz CHIOVEUWMAFJQI-JGCGQSQUSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260992512 571972829 /nfs/dbraw/zinc/97/28/29/571972829.db2.gz QGPOTRAOJVFNDM-PMACEKPBSA-N 0 0 621.543 5.429 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F ZINC000225622857 571973599 /nfs/dbraw/zinc/97/35/99/571973599.db2.gz OVYLFPUNTJMJQH-UIOOFZCWSA-N 0 0 531.569 5.390 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225631154 571983344 /nfs/dbraw/zinc/98/33/44/571983344.db2.gz RKHFWTUSIGMOOW-SSEXGKCCSA-N 0 0 699.613 5.800 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225635703 571987294 /nfs/dbraw/zinc/98/72/94/571987294.db2.gz LSIMOHOOXFTBDB-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225635643 571987476 /nfs/dbraw/zinc/98/74/76/571987476.db2.gz PISARYVYZUXWTO-NSOVKSMOSA-N 0 0 540.649 5.399 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261007733 571999323 /nfs/dbraw/zinc/99/93/23/571999323.db2.gz GHAJETBHFRWTCH-UXCMTWRGSA-N 0 0 702.830 5.671 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225654737 572001886 /nfs/dbraw/zinc/00/18/86/572001886.db2.gz UKCVRSQBUDPSBQ-SXOMAYOGSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225692723 572026881 /nfs/dbraw/zinc/02/68/81/572026881.db2.gz FCHRRTDLRMNHOI-SXOMAYOGSA-N 0 0 526.622 5.090 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 ZINC000225695583 572028465 /nfs/dbraw/zinc/02/84/65/572028465.db2.gz LHGAYLZBDNTWFV-IZLXSDGUSA-N 0 0 557.632 5.568 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225697360 572029624 /nfs/dbraw/zinc/02/96/24/572029624.db2.gz OFIPRYANABOZNA-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261031593 572033611 /nfs/dbraw/zinc/03/36/11/572033611.db2.gz XJJBTPFEJLOATK-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261041437 572045147 /nfs/dbraw/zinc/04/51/47/572045147.db2.gz KMWWUWWBCLASPR-DICHSLLOSA-N 0 0 628.751 5.345 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225729011 572050634 /nfs/dbraw/zinc/05/06/34/572050634.db2.gz JCQHXOSQJYJDTB-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225732108 572052599 /nfs/dbraw/zinc/05/25/99/572052599.db2.gz RCLAXGGVBCSJND-JGCGQSQUSA-N 0 0 628.751 5.202 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261048412 572052827 /nfs/dbraw/zinc/05/28/27/572052827.db2.gz ZPVXMZOPBFDZQM-IBVKSMDESA-N 0 0 714.068 6.789 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225749220 572060493 /nfs/dbraw/zinc/06/04/93/572060493.db2.gz BPFFGAHQQJQNPP-XIFFEERXSA-N 0 0 642.778 5.511 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225752629 572061638 /nfs/dbraw/zinc/06/16/38/572061638.db2.gz HRASRIGOMVGZQS-DHUJRADRSA-N 0 0 686.831 5.828 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261060386 572062507 /nfs/dbraw/zinc/06/25/07/572062507.db2.gz NRPWQTKGVXHFAT-CVYDZTKKSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261070242 572069145 /nfs/dbraw/zinc/06/91/45/572069145.db2.gz PMXCUUBWRMPDJC-JKFCTSDTSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261083335 572076429 /nfs/dbraw/zinc/07/64/29/572076429.db2.gz RQFLGQRSUAHFRP-DCFHFQCYSA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261092362 572082161 /nfs/dbraw/zinc/08/21/61/572082161.db2.gz UFZVKGGUJJZBCZ-JQJBXXCASA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261113338 572095973 /nfs/dbraw/zinc/09/59/73/572095973.db2.gz YCGYYNIHBFQFTB-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261366138 572109200 /nfs/dbraw/zinc/10/92/00/572109200.db2.gz XOLVJXSWSMPLLN-MUUNZHRXSA-O 0 0 560.656 6.199 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]21 ZINC000226411574 572137799 /nfs/dbraw/zinc/13/77/99/572137799.db2.gz ZRHIGDZIDKQKSO-YQMHAVPBSA-N 0 0 524.529 5.446 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 ZINC000408529699 572169420 /nfs/dbraw/zinc/16/94/20/572169420.db2.gz NWJXKRHYULDHAE-DHUJRADRSA-N 0 0 648.741 7.469 40 5 KKBBRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000229934693 572171190 /nfs/dbraw/zinc/17/11/90/572171190.db2.gz WHEJTLXYTPCBRZ-PNZZQSNHSA-N 0 0 554.861 8.238 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000408530967 572173824 /nfs/dbraw/zinc/17/38/24/572173824.db2.gz SYPFZGJMNQOQET-UUWRZZSWSA-N 0 0 634.714 7.078 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408532234 572179052 /nfs/dbraw/zinc/17/90/52/572179052.db2.gz NOAQAPSQAAIXAU-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000408533546 572183617 /nfs/dbraw/zinc/18/36/17/572183617.db2.gz KAMCPJOXTZMZDA-LCAICKDSSA-N 0 0 512.110 5.376 40 5 KKBBRN COc1cc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)ccc1-n1nc(C)c(Br)c1C ZINC000408536367 572191144 /nfs/dbraw/zinc/19/11/44/572191144.db2.gz WHOHYWVPXAWUQR-UHFFFAOYSA-N 0 0 590.434 5.722 40 5 KKBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408541805 572209282 /nfs/dbraw/zinc/20/92/82/572209282.db2.gz FWZPWRBOXFMJPI-UHFFFAOYSA-N 0 0 548.839 6.457 40 5 KKBBRN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000245242056 572216639 /nfs/dbraw/zinc/21/66/39/572216639.db2.gz YDFNPRCPBPZTAW-BYXVQRNISA-N 0 0 573.574 5.041 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408556882 572244331 /nfs/dbraw/zinc/24/43/31/572244331.db2.gz KNRUZJWOCPGUPF-UHFFFAOYSA-N 0 0 526.214 7.254 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557005 572244521 /nfs/dbraw/zinc/24/45/21/572244521.db2.gz MLBAOBGHKSECHV-QHCPKHFHSA-N 0 0 505.379 6.268 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557162 572244691 /nfs/dbraw/zinc/24/46/91/572244691.db2.gz NHAAWGNTBIYQBX-HSZRJFAPSA-N 0 0 549.830 6.377 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408557428 572244866 /nfs/dbraw/zinc/24/48/66/572244866.db2.gz NINPTQMHEKUASO-QFIPXVFZSA-N 0 0 627.800 6.341 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408559274 572246463 /nfs/dbraw/zinc/24/64/63/572246463.db2.gz UUQXKFBBUHFCAI-UHFFFAOYSA-N 0 0 566.157 8.096 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559396 572246683 /nfs/dbraw/zinc/24/66/83/572246683.db2.gz ZRKOBUIBGKVDTN-HSZRJFAPSA-N 0 0 596.830 6.219 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563197 572249058 /nfs/dbraw/zinc/24/90/58/572249058.db2.gz AAUKIXHAHKGDMC-DNKZPPIMSA-N 0 0 542.419 5.493 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564417 572250453 /nfs/dbraw/zinc/25/04/53/572250453.db2.gz CTDOVUNHQADOIB-BQGAEBSMSA-N 0 0 633.326 6.398 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564752 572250845 /nfs/dbraw/zinc/25/08/45/572250845.db2.gz FTOJUAKUKNNPND-BBFXTFFKSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 ZINC000408564763 572250849 /nfs/dbraw/zinc/25/08/49/572250849.db2.gz AAMBTIXGPIBHNV-QHCPKHFHSA-N 0 0 589.899 6.689 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564759 572250887 /nfs/dbraw/zinc/25/08/87/572250887.db2.gz FTZSNZBQWLIBQL-ZNCVFPSASA-N 0 0 512.393 5.403 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564831 572251023 /nfs/dbraw/zinc/25/10/23/572251023.db2.gz AMIDJPBFXMFFRW-XMMPIXPASA-N 0 0 638.371 7.733 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564789 572251050 /nfs/dbraw/zinc/25/10/50/572251050.db2.gz AGTKFJJXYMCTPD-FQEVSTJZSA-N 0 0 564.263 7.624 40 5 KKBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408564803 572251092 /nfs/dbraw/zinc/25/10/92/572251092.db2.gz AIITZSGIMQIHQF-LJQANCHMSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408564908 572251189 /nfs/dbraw/zinc/25/11/89/572251189.db2.gz ASIMTMRPWBKAQV-FQEVSTJZSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564930 572251323 /nfs/dbraw/zinc/25/13/23/572251323.db2.gz GMCTUMQBNQZORO-YJIIWGRFSA-N 0 0 542.419 5.493 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564957 572251426 /nfs/dbraw/zinc/25/14/26/572251426.db2.gz GUOFDSZWBGIMJQ-LAMXGVLKSA-N 0 0 516.356 5.233 40 5 KKBBRN Cc1ccc(COc2ccc([C@H]3C([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565006 572251503 /nfs/dbraw/zinc/25/15/03/572251503.db2.gz HCAQSLFQIVOPEH-DTOIDXSMSA-N 0 0 548.437 5.391 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408565035 572251552 /nfs/dbraw/zinc/25/15/52/572251552.db2.gz BAYYVWQCNGJFRJ-DEOSSOPVSA-N 0 0 654.370 7.351 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408565084 572251790 /nfs/dbraw/zinc/25/17/90/572251790.db2.gz BDJYXDDGRHDGDB-AREMUKBSSA-N 0 0 520.611 5.590 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408565129 572251866 /nfs/dbraw/zinc/25/18/66/572251866.db2.gz BHBORXRBDPUIMP-HHHXNRCGSA-N 0 0 623.504 7.328 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408565348 572252475 /nfs/dbraw/zinc/25/24/75/572252475.db2.gz BTRWXWISZUGNNE-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565475 572252677 /nfs/dbraw/zinc/25/26/77/572252677.db2.gz KZDXQLBCJWKYMY-FODJJAHYSA-N 0 0 528.392 5.103 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000408565541 572252750 /nfs/dbraw/zinc/25/27/50/572252750.db2.gz CGHFVJZESFSPDD-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565483 572252798 /nfs/dbraw/zinc/25/27/98/572252798.db2.gz KZDXQLBCJWKYMY-ZNCVFPSASA-N 0 0 528.392 5.103 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565710 572253030 /nfs/dbraw/zinc/25/30/30/572253030.db2.gz CWBXVXCUPILQRK-LJQANCHMSA-N 0 0 564.263 7.624 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408565726 572253040 /nfs/dbraw/zinc/25/30/40/572253040.db2.gz CXHWSYAJAVVYKL-XMMPIXPASA-N 0 0 555.454 6.036 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565669 572253041 /nfs/dbraw/zinc/25/30/41/572253041.db2.gz CSEVJFAIMQPPLT-DEOSSOPVSA-N 0 0 540.001 6.135 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408565930 572253180 /nfs/dbraw/zinc/25/31/80/572253180.db2.gz DHKJGGFDXJJEFN-GDLZYMKVSA-N 0 0 540.645 6.735 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408566007 572253322 /nfs/dbraw/zinc/25/33/22/572253322.db2.gz DNPWXDOJETUZOR-VWLOTQADSA-N 0 0 601.498 6.874 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408566070 572253497 /nfs/dbraw/zinc/25/34/97/572253497.db2.gz DTGOJAOURKRFSN-HSZRJFAPSA-N 0 0 612.308 7.473 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566310 572253604 /nfs/dbraw/zinc/25/36/04/572253604.db2.gz NLKAPGKJLVSADI-OCAOGGMISA-N 0 0 647.353 6.788 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566437 572253672 /nfs/dbraw/zinc/25/36/72/572253672.db2.gz NYNLGKOHGTUJJM-PWBHZWRTSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566458 572253716 /nfs/dbraw/zinc/25/37/16/572253716.db2.gz OHLYPPZXWRYHCY-XABOBXATSA-N 0 0 582.426 5.230 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408566362 572253800 /nfs/dbraw/zinc/25/38/00/572253800.db2.gz FLDJHORPVAPRTG-PMERELPUSA-N 0 0 570.671 6.825 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566729 572253837 /nfs/dbraw/zinc/25/38/37/572253837.db2.gz GADSRSSVZJQJSP-GDLZYMKVSA-N 0 0 633.568 7.806 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408566662 572253882 /nfs/dbraw/zinc/25/38/82/572253882.db2.gz FYEYALBDUAABQL-RUZDIDTESA-N 0 0 543.476 7.188 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408566805 572254042 /nfs/dbraw/zinc/25/40/42/572254042.db2.gz GEUSDOZVONJXJS-JOCHJYFZSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567083 572254175 /nfs/dbraw/zinc/25/41/75/572254175.db2.gz GITJYLZDQJIJPK-DEOSSOPVSA-N 0 0 656.361 7.872 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408567074 572254187 /nfs/dbraw/zinc/25/41/87/572254187.db2.gz GHQSJTJPDLNNNS-VWLOTQADSA-N 0 0 617.953 7.306 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408567086 572254208 /nfs/dbraw/zinc/25/42/08/572254208.db2.gz GIYPZQNOUJQGGL-QFIPXVFZSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408567549 572254267 /nfs/dbraw/zinc/25/42/67/572254267.db2.gz GVJYUMKSGOPUSK-NDEPHWFRSA-N 0 0 532.666 6.589 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408567554 572254288 /nfs/dbraw/zinc/25/42/88/572254288.db2.gz GVLCAIJIOPDSDK-LJQANCHMSA-N 0 0 527.828 5.509 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc2ccccc21 ZINC000408567187 572254346 /nfs/dbraw/zinc/25/43/46/572254346.db2.gz GRGJWSWYVRXQKD-SSEXGKCCSA-N 0 0 570.671 6.825 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408567594 572254479 /nfs/dbraw/zinc/25/44/79/572254479.db2.gz GXCSGCRTBJEEAR-HSZRJFAPSA-N 0 0 556.000 5.835 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567754 572254517 /nfs/dbraw/zinc/25/45/17/572254517.db2.gz REOKDBYHPCJROB-SJZLBXHKSA-N 0 0 607.288 5.865 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567819 572254521 /nfs/dbraw/zinc/25/45/21/572254521.db2.gz RMOPCJFNFZEDKC-MFTACUCHSA-N 0 0 621.315 6.256 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408567808 572254557 /nfs/dbraw/zinc/25/45/57/572254557.db2.gz HLQNLGOKJFJAAG-DEOSSOPVSA-N 0 0 593.920 7.624 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408568086 572254655 /nfs/dbraw/zinc/25/46/55/572254655.db2.gz HPJQKHAMEKDREA-SANMLTNESA-N 0 0 666.425 8.350 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000408568216 572254802 /nfs/dbraw/zinc/25/48/02/572254802.db2.gz HXSKMVAWHBPVIT-DEOSSOPVSA-N 0 0 603.926 7.079 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 ZINC000408568210 572254807 /nfs/dbraw/zinc/25/48/07/572254807.db2.gz HXDVLTWNFSVGHY-DEOSSOPVSA-N 0 0 603.926 7.079 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408568221 572254813 /nfs/dbraw/zinc/25/48/13/572254813.db2.gz HYIQUIKQZVCJBD-RUZDIDTESA-N 0 0 587.927 7.298 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408568350 572254853 /nfs/dbraw/zinc/25/48/53/572254853.db2.gz TYULBJYLDBUPFK-AWTIUKJOSA-N 0 0 524.404 5.627 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568173 572254887 /nfs/dbraw/zinc/25/48/87/572254887.db2.gz SGRMJSHLZLWWEK-DPQOWFAMSA-N 0 0 542.817 5.203 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000408568618 572254998 /nfs/dbraw/zinc/25/49/98/572254998.db2.gz ICQZMIKCGPLGIB-HSZRJFAPSA-N 0 0 561.408 6.306 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@@H]1CCCN12 ZINC000408568774 572255164 /nfs/dbraw/zinc/25/51/64/572255164.db2.gz ULMQALLGCCRQCF-RJPUKIMISA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408568742 572255209 /nfs/dbraw/zinc/25/52/09/572255209.db2.gz INGPGVCGJHXIPE-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568957 572255347 /nfs/dbraw/zinc/25/53/47/572255347.db2.gz VKMXIAPQIYKJEE-BBFXTFFKSA-N 0 0 643.332 5.854 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408569066 572255510 /nfs/dbraw/zinc/25/55/10/572255510.db2.gz IOKBGIKRZNHVNU-QHCPKHFHSA-N 0 0 590.445 6.488 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408569403 572255577 /nfs/dbraw/zinc/25/55/77/572255577.db2.gz WOXJJSKQUSKMCC-RIOMWJCISA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408569514 572255692 /nfs/dbraw/zinc/25/56/92/572255692.db2.gz JJTQAHAAOYCPPD-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569498 572255777 /nfs/dbraw/zinc/25/57/77/572255777.db2.gz JIARTHJNOGSDTF-SANMLTNESA-N 0 0 567.509 6.953 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 ZINC000408569644 572255826 /nfs/dbraw/zinc/25/58/26/572255826.db2.gz WUSXEOSFZLJTND-UQBYDPJISA-N 0 0 603.300 6.389 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569661 572255879 /nfs/dbraw/zinc/25/58/79/572255879.db2.gz WVKBYHNPKMGJDP-KITIHOALSA-N 0 0 532.811 5.748 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570059 572256234 /nfs/dbraw/zinc/25/62/34/572256234.db2.gz YHFWUZYGTHIHNX-KLPDMWAPSA-N 0 0 657.359 6.244 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408570646 572256542 /nfs/dbraw/zinc/25/65/42/572256542.db2.gz LSIHVNNDVGEYAM-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408570598 572256481 /nfs/dbraw/zinc/25/64/81/572256481.db2.gz LMXKPQSDFVONAU-RUZDIDTESA-N 0 0 599.507 6.353 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408570711 572256485 /nfs/dbraw/zinc/25/64/85/572256485.db2.gz LYSYMONXPVMZCI-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccccc1 ZINC000408570644 572256494 /nfs/dbraw/zinc/25/64/94/572256494.db2.gz LSFNGWDCQNGVTQ-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408570635 572256499 /nfs/dbraw/zinc/25/64/99/572256499.db2.gz LQPQVGBATGHDJX-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408570580 572256527 /nfs/dbraw/zinc/25/65/27/572256527.db2.gz LLJZVYOKJYHNJQ-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1 ZINC000408570873 572256618 /nfs/dbraw/zinc/25/66/18/572256618.db2.gz MDQGRFVTAMULHW-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000408570930 572256701 /nfs/dbraw/zinc/25/67/01/572256701.db2.gz MJSXPNOCXXOKPP-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571091 572256812 /nfs/dbraw/zinc/25/68/12/572256812.db2.gz NLJBWNXBFCBXAN-RUZDIDTESA-N 0 0 519.583 5.790 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000408571139 572256820 /nfs/dbraw/zinc/25/68/20/572256820.db2.gz NTBOBHJLOBSHPF-SANMLTNESA-N 0 0 520.611 5.672 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571078 572256828 /nfs/dbraw/zinc/25/68/28/572256828.db2.gz NHRRHOMNCYPVQD-RUZDIDTESA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408571159 572256848 /nfs/dbraw/zinc/25/68/48/572256848.db2.gz NXRWRGUNMFGJAK-RUZDIDTESA-N 0 0 652.398 8.041 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408571389 572257036 /nfs/dbraw/zinc/25/70/36/572257036.db2.gz OPEOQHZESPBAMK-HSZRJFAPSA-N 0 0 594.318 7.334 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(C)cc1 ZINC000408571396 572257039 /nfs/dbraw/zinc/25/70/39/572257039.db2.gz OPRWHARYHRVJTA-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408571402 572257048 /nfs/dbraw/zinc/25/70/48/572257048.db2.gz OQBZVUWAFZOWHR-VWLOTQADSA-N 0 0 569.481 6.426 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408571365 572257054 /nfs/dbraw/zinc/25/70/54/572257054.db2.gz ONAWAVRFYWYRLD-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(C)cc1 ZINC000408571397 572257073 /nfs/dbraw/zinc/25/70/73/572257073.db2.gz OPRWHARYHRVJTA-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571532 572257164 /nfs/dbraw/zinc/25/71/64/572257164.db2.gz OVLNSSAQIOJXHJ-XMMPIXPASA-N 0 0 624.344 7.343 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408571539 572257201 /nfs/dbraw/zinc/25/72/01/572257201.db2.gz OWJWHWJDWGSCEL-VWLOTQADSA-N 0 0 598.479 6.552 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571564 572257211 /nfs/dbraw/zinc/25/72/11/572257211.db2.gz OZSHZJQAUJZBQZ-RUZDIDTESA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(F)cc1 ZINC000408571880 572257386 /nfs/dbraw/zinc/25/73/86/572257386.db2.gz PTMAUCGAZPBJSG-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408571891 572257419 /nfs/dbraw/zinc/25/74/19/572257419.db2.gz PUNWBWKUUSEYSJ-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571938 572257474 /nfs/dbraw/zinc/25/74/74/572257474.db2.gz QANFGDHTDWKEQJ-HSZRJFAPSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc2ccccc2c1 ZINC000408572078 572257581 /nfs/dbraw/zinc/25/75/81/572257581.db2.gz QOJHPIGYXDGAML-SSEXGKCCSA-N 0 0 554.672 7.125 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408572189 572257672 /nfs/dbraw/zinc/25/76/72/572257672.db2.gz QTEHEDVPHWPSBX-JOCHJYFZSA-N 0 0 567.857 7.364 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408572449 572257795 /nfs/dbraw/zinc/25/77/95/572257795.db2.gz RFFNBOKXUKMZFH-GDLZYMKVSA-N 0 0 540.645 6.735 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408572597 572257896 /nfs/dbraw/zinc/25/78/96/572257896.db2.gz RJPPTWGXUWHDAC-HSZRJFAPSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408572601 572257952 /nfs/dbraw/zinc/25/79/52/572257952.db2.gz RKXOVVLKHMQZFH-DEOSSOPVSA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408572606 572257954 /nfs/dbraw/zinc/25/79/54/572257954.db2.gz RLTJKKUDQMDHCV-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OCC)cc2Br)cc1 ZINC000408572686 572258030 /nfs/dbraw/zinc/25/80/30/572258030.db2.gz RTGNEPXDNZLMAI-NRFANRHFSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 ZINC000408572978 572258494 /nfs/dbraw/zinc/25/84/94/572258494.db2.gz RZYDXZPWKZCNRJ-RUZDIDTESA-N 0 0 644.504 6.343 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408573011 572258502 /nfs/dbraw/zinc/25/85/02/572258502.db2.gz SDSANKNDQGDHAO-VWLOTQADSA-N 0 0 527.021 6.674 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408573414 572258728 /nfs/dbraw/zinc/25/87/28/572258728.db2.gz SSAYHDKNDKMWDW-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408573452 572258865 /nfs/dbraw/zinc/25/88/65/572258865.db2.gz SXKMPOSVAWOAPX-DEOSSOPVSA-N 0 0 638.371 7.651 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408573592 572258985 /nfs/dbraw/zinc/25/89/85/572258985.db2.gz TXIGWPVKBKGDEE-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-] ZINC000408573965 572259182 /nfs/dbraw/zinc/25/91/82/572259182.db2.gz GFUCYYKTDFXHSJ-UHFFFAOYSA-N 0 0 513.881 5.629 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408573637 572259052 /nfs/dbraw/zinc/25/90/52/572259052.db2.gz TZIVKSXSXBJBCO-RUZDIDTESA-N 0 0 525.030 6.235 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408573652 572259104 /nfs/dbraw/zinc/25/91/04/572259104.db2.gz UACDBHXZQDKCTC-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000408573952 572259146 /nfs/dbraw/zinc/25/91/46/572259146.db2.gz UGAQWIXKQSWKEV-DEOSSOPVSA-N 0 0 556.000 5.835 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408574043 572259248 /nfs/dbraw/zinc/25/92/48/572259248.db2.gz ULTGNGULWSBABD-MHZLTWQESA-N 0 0 553.084 6.934 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408573993 572259290 /nfs/dbraw/zinc/25/92/90/572259290.db2.gz UIXIMMNVTBIVNX-AREMUKBSSA-N 0 0 597.535 7.043 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408574425 572259606 /nfs/dbraw/zinc/25/96/06/572259606.db2.gz UTUOXGCGUFYSPY-QHCPKHFHSA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(Cl)cc1 ZINC000408574471 572259610 /nfs/dbraw/zinc/25/96/10/572259610.db2.gz UWIDGCFTVCRPIQ-HHHXNRCGSA-N 0 0 531.037 7.071 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408574554 572259692 /nfs/dbraw/zinc/25/96/92/572259692.db2.gz VELJTECDXCCEFQ-SANMLTNESA-N 0 0 587.529 7.587 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574545 572259723 /nfs/dbraw/zinc/25/97/23/572259723.db2.gz VDSAROKIWVSTTD-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408574558 572259725 /nfs/dbraw/zinc/25/97/25/572259725.db2.gz VFAFFIZQXSZRLI-HHHXNRCGSA-N 0 0 639.959 7.843 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408574501 572259765 /nfs/dbraw/zinc/25/97/65/572259765.db2.gz UZFKWTZJPODBLU-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408574561 572259775 /nfs/dbraw/zinc/25/97/75/572259775.db2.gz VFAFFIZQXSZRLI-MHZLTWQESA-N 0 0 639.959 7.843 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408575027 572260053 /nfs/dbraw/zinc/26/00/53/572260053.db2.gz VNWQZCRNTINLAP-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408575499 572260459 /nfs/dbraw/zinc/26/04/59/572260459.db2.gz WJTVLEURANGTPD-VWLOTQADSA-N 0 0 652.398 8.041 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408575461 572260468 /nfs/dbraw/zinc/26/04/68/572260468.db2.gz WIHKYPCGFRBQFW-RUZDIDTESA-N 0 0 573.502 7.279 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408575407 572260516 /nfs/dbraw/zinc/26/05/16/572260516.db2.gz WDLRFIKFAQDQMS-HSZRJFAPSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408575884 572260840 /nfs/dbraw/zinc/26/08/40/572260840.db2.gz WZEZKJLSYCCXMH-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 ZINC000408575887 572260866 /nfs/dbraw/zinc/26/08/66/572260866.db2.gz WZOBRPHMAIUBOA-DEOSSOPVSA-N 0 0 630.477 5.953 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408575939 572260879 /nfs/dbraw/zinc/26/08/79/572260879.db2.gz XBLIVILTPLAYHQ-VWLOTQADSA-N 0 0 571.472 6.783 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408575927 572260894 /nfs/dbraw/zinc/26/08/94/572260894.db2.gz XBAMQUJNHNRWTG-MUUNZHRXSA-N 0 0 589.515 7.489 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc(F)c1 ZINC000408575992 572260947 /nfs/dbraw/zinc/26/09/47/572260947.db2.gz XDEPZIAXLPNOGH-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408576120 572261066 /nfs/dbraw/zinc/26/10/66/572261066.db2.gz XIECFRDFGNFNCR-RUZDIDTESA-N 0 0 571.472 6.783 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408576514 572261305 /nfs/dbraw/zinc/26/13/05/572261305.db2.gz XNXRGJGDURFGLC-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408576876 572261604 /nfs/dbraw/zinc/26/16/04/572261604.db2.gz YGMNLVSZATZSHJ-UHFFFAOYSA-N 0 0 577.446 5.175 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(C)c1 ZINC000408577037 572261700 /nfs/dbraw/zinc/26/17/00/572261700.db2.gz YLARDXXLUXFNBX-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408577167 572261777 /nfs/dbraw/zinc/26/17/77/572261777.db2.gz YQEULBMDVXBRQD-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577264 572261853 /nfs/dbraw/zinc/26/18/53/572261853.db2.gz YWSLOSOKAVGLJG-QHCPKHFHSA-N 0 0 624.344 7.343 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408577250 572261859 /nfs/dbraw/zinc/26/18/59/572261859.db2.gz YWGNVYSQWAAVSU-SANMLTNESA-N 0 0 573.502 7.197 40 5 KKBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000408577347 572261904 /nfs/dbraw/zinc/26/19/04/572261904.db2.gz ZPCAFRYLDBSSDF-NHFJDJAPSA-N 0 0 551.599 5.764 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408577444 572261962 /nfs/dbraw/zinc/26/19/62/572261962.db2.gz ZNLOPTAHVOMOQF-AREMUKBSSA-N 0 0 539.057 6.625 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408577431 572262006 /nfs/dbraw/zinc/26/20/06/572262006.db2.gz ZLVQVJSBGGXDPS-XMMPIXPASA-N 0 0 563.894 7.533 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408577505 572262039 /nfs/dbraw/zinc/26/20/39/572262039.db2.gz ZRISJSJXWXEPEL-HSZRJFAPSA-N 0 0 573.444 6.175 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577539 572262183 /nfs/dbraw/zinc/26/21/83/572262183.db2.gz ZRZRJWVIHQGGBA-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577809 572262443 /nfs/dbraw/zinc/26/24/43/572262443.db2.gz ZZJMISLAGVTWCC-RUZDIDTESA-N 0 0 628.505 6.561 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccccc1 ZINC000408577808 572262448 /nfs/dbraw/zinc/26/24/48/572262448.db2.gz ZZGDNVMULDWZKP-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000408596667 572271063 /nfs/dbraw/zinc/27/10/63/572271063.db2.gz XKLXLPSJFICHJP-UHFFFAOYSA-N 0 0 543.907 5.394 40 5 KKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604050 572273853 /nfs/dbraw/zinc/27/38/53/572273853.db2.gz CYFXSXHGPJXQHY-UHFFFAOYSA-N 0 0 509.759 6.740 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408603981 572273870 /nfs/dbraw/zinc/27/38/70/572273870.db2.gz CLWKMHUSDVOISV-UHFFFAOYSA-N 0 0 514.376 5.694 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(I)cc1 ZINC000408604394 572273984 /nfs/dbraw/zinc/27/39/84/572273984.db2.gz IMUYKLQJPOTONJ-RMKNXTFCSA-N 0 0 632.192 6.249 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408608002 572275286 /nfs/dbraw/zinc/27/52/86/572275286.db2.gz LMWFERZFAQKHLE-UHFFFAOYSA-N 0 0 534.794 5.957 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408608035 572275415 /nfs/dbraw/zinc/27/54/15/572275415.db2.gz MDCJXOFHKOFNFD-UHFFFAOYSA-N 0 0 533.291 5.977 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408610581 572276223 /nfs/dbraw/zinc/27/62/23/572276223.db2.gz QHYZVUYOQMRTMD-UHFFFAOYSA-N 0 0 595.821 6.190 40 5 KKBBRN Cc1ccc(COc2c(Br)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000408610718 572276331 /nfs/dbraw/zinc/27/63/31/572276331.db2.gz RUSVTINXWAIFDD-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl ZINC000408611485 572276551 /nfs/dbraw/zinc/27/65/51/572276551.db2.gz SJUHXBMHPDSCGZ-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408613047 572277179 /nfs/dbraw/zinc/27/71/79/572277179.db2.gz WUHUUJWUSNCLKH-UHFFFAOYSA-N 0 0 536.220 6.710 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408613613 572277338 /nfs/dbraw/zinc/27/73/38/572277338.db2.gz YTVVYSODYTWBAX-UHFFFAOYSA-N 0 0 542.227 7.464 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408615147 572278097 /nfs/dbraw/zinc/27/80/97/572278097.db2.gz MOELYWXLSCFPPC-UHFFFAOYSA-N 0 0 582.034 6.192 40 5 KKBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 ZINC000408621613 572281670 /nfs/dbraw/zinc/28/16/70/572281670.db2.gz OVEFZKNGZGLMLN-UHFFFAOYSA-N 0 0 518.307 5.348 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408623796 572282903 /nfs/dbraw/zinc/28/29/03/572282903.db2.gz ZHKFYINEENOKCC-UHFFFAOYSA-N 0 0 594.045 5.630 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408637761 572294582 /nfs/dbraw/zinc/29/45/82/572294582.db2.gz BBQDRFOCXFZEQS-UKILVPOCSA-N 0 0 608.434 6.275 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408637814 572294617 /nfs/dbraw/zinc/29/46/17/572294617.db2.gz BEOCMHJYVOBDPP-UHFFFAOYSA-N 0 0 756.165 8.271 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408637760 572294622 /nfs/dbraw/zinc/29/46/22/572294622.db2.gz BBQDRFOCXFZEQS-NOZRDPDXSA-N 0 0 608.434 6.275 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408638019 572294805 /nfs/dbraw/zinc/29/48/05/572294805.db2.gz BLHLDQPVOMKQQS-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 ZINC000408639163 572295616 /nfs/dbraw/zinc/29/56/16/572295616.db2.gz VRNDNDCZANQANO-HXUWFJFHSA-N 0 0 516.550 5.464 40 5 KKBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408639584 572295964 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/nfs/dbraw/zinc/88/26/50/1069882650.db2.gz KVZDWAQDQGSXQG-XDYZZPCYSA-N 0 0 715.025 7.230 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408773744 1069888099 /nfs/dbraw/zinc/88/80/99/1069888099.db2.gz TURGEQVZDXUZDY-MXLMUYMQSA-N 0 0 775.565 6.455 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408775396 1069892697 /nfs/dbraw/zinc/89/26/97/1069892697.db2.gz GLIUJOHVPKVEBO-IQPMGOHCSA-N 0 0 686.815 6.569 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)S2)cc1 ZINC000408783013 1069908523 /nfs/dbraw/zinc/90/85/23/1069908523.db2.gz JFOJJMMBFGBFAW-MFUBYVTQSA-N 0 0 515.513 6.568 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408804320 1069949903 /nfs/dbraw/zinc/94/99/03/1069949903.db2.gz XNOPJLUPJNMROM-KMCFWPMWSA-N 0 0 670.118 6.215 40 5 KKBBRN COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408805246 1069952425 /nfs/dbraw/zinc/95/24/25/1069952425.db2.gz FIJGDTGAIHFSPP-UHFFFAOYSA-N 0 0 510.979 5.907 40 5 KKBBRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408805292 1069953482 /nfs/dbraw/zinc/95/34/82/1069953482.db2.gz FWXLTPORPKFOJK-KIAYDSLMSA-N 0 0 558.680 7.236 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)o1 ZINC000408813705 1069979232 /nfs/dbraw/zinc/97/92/32/1069979232.db2.gz OSOFHIMYGUOCPM-XZIWIXAXSA-N 0 0 502.616 7.217 40 5 KKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1Br ZINC000408820933 1069995197 /nfs/dbraw/zinc/99/51/97/1069995197.db2.gz APTWUSUCDCMQLO-UHFFFAOYSA-N 0 0 524.396 6.717 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408832315 1070023160 /nfs/dbraw/zinc/02/31/60/1070023160.db2.gz XXFNQDOASZXYFC-XSZPGNIMSA-N 0 0 644.027 5.481 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408833142 1070023282 /nfs/dbraw/zinc/02/32/82/1070023282.db2.gz VUFPWABCJXJMFV-UQDCTOEPSA-N 0 0 551.649 5.857 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408837550 1070030204 /nfs/dbraw/zinc/03/02/04/1070030204.db2.gz IMYRGRYFFQFRQQ-IZBTWGKQSA-N 0 0 801.819 7.006 40 5 KKBBRN O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408839598 1070041640 /nfs/dbraw/zinc/04/16/40/1070041640.db2.gz UPKLOXMPXNYNNV-LRUGRNCASA-N 0 0 598.105 6.625 40 5 KKBBRN O=c1/c(=C\c2c3ccccc3cc3ccccc32)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408840429 1070042816 /nfs/dbraw/zinc/04/28/16/1070042816.db2.gz GEYRUCDHEGUCDP-XNMXCUJWSA-N 0 0 555.102 7.279 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408841243 1070044578 /nfs/dbraw/zinc/04/45/78/1070044578.db2.gz DSWIORVMTXAUGO-WOJGMQOQSA-N 0 0 549.904 5.935 40 5 KKBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1C ZINC000408842981 1070048076 /nfs/dbraw/zinc/04/80/76/1070048076.db2.gz KYXBTRJPRFCOFU-UHFFFAOYSA-N 0 0 519.966 5.980 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408873132 1070098645 /nfs/dbraw/zinc/09/86/45/1070098645.db2.gz NLXLZENQQNQKTI-GRSHGNNSSA-N 0 0 551.886 6.202 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917513 1070208678 /nfs/dbraw/zinc/20/86/78/1070208678.db2.gz VZRFJHRHSGJYRR-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917473 1070208145 /nfs/dbraw/zinc/20/81/45/1070208145.db2.gz VDPPLOODOTUZEA-WSDLNYQXSA-N 0 0 570.377 6.081 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408920563 1070226654 /nfs/dbraw/zinc/22/66/54/1070226654.db2.gz KCCTWYYHEVJBRK-NULZLWRNSA-N 0 0 615.733 5.396 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408918797 1070233604 /nfs/dbraw/zinc/23/36/04/1070233604.db2.gz PEEWLCDVGBLVBG-YQORSWRPSA-N 0 0 554.194 5.261 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408919050 1070234100 /nfs/dbraw/zinc/23/41/00/1070234100.db2.gz RZHOOIAWQDACDC-HZHHUVPKSA-N 0 0 728.621 6.600 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408927242 1070245860 /nfs/dbraw/zinc/24/58/60/1070245860.db2.gz VRGSKDBKGGOKKC-VFAWPYSXSA-N 0 0 644.558 6.384 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408927658 1070247648 /nfs/dbraw/zinc/24/76/48/1070247648.db2.gz RFEFTMHGNOJKAG-DGBHDHARSA-N 0 0 684.774 6.164 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1C ZINC000408928941 1070253677 /nfs/dbraw/zinc/25/36/77/1070253677.db2.gz MCKWVWOGAXMRMC-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408934654 1070270210 /nfs/dbraw/zinc/27/02/10/1070270210.db2.gz MCIXGDPNOYOFOY-MGQZUQOPSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408936172 1070275689 /nfs/dbraw/zinc/27/56/89/1070275689.db2.gz OOOYCAWLIYGWMM-FVMAXLJRSA-N 0 0 820.456 5.670 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408932686 1070280533 /nfs/dbraw/zinc/28/05/33/1070280533.db2.gz DNSKGXVGAGKRFS-MKTOWPBFSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408940034 1070284862 /nfs/dbraw/zinc/28/48/62/1070284862.db2.gz JCMBOZVGNMCLCG-ILLSWNIOSA-N 0 0 712.550 5.204 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408937904 1070293320 /nfs/dbraw/zinc/29/33/20/1070293320.db2.gz RCMJPPUPCBPSJB-MXAYSNPKSA-N 0 0 626.485 6.318 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408938155 1070294501 /nfs/dbraw/zinc/29/45/01/1070294501.db2.gz HGAOSYDDINILEU-UONGPDOGSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408938718 1070295526 /nfs/dbraw/zinc/29/55/26/1070295526.db2.gz SARYBDAOGJVYPH-MKTOWPBFSA-N 0 0 773.456 5.828 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408945049 1070298910 /nfs/dbraw/zinc/29/89/10/1070298910.db2.gz WMGRMUIKAXUVFE-VPHSIRQSSA-N 0 0 601.681 5.371 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408984919 1070344927 /nfs/dbraw/zinc/34/49/27/1070344927.db2.gz NINSMTKUWFXOOA-KMCFWPMWSA-N 0 0 686.573 6.730 40 5 KKBBRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)ccc1C ZINC000408986710 1070349076 /nfs/dbraw/zinc/34/90/76/1070349076.db2.gz DBKTWOCZXGIOEI-SANMLTNESA-N 0 0 512.591 6.283 40 5 KKBBRN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408989855 1070354431 /nfs/dbraw/zinc/35/44/31/1070354431.db2.gz JCJPPLYPJNOJHL-UHFFFAOYSA-N 0 0 651.751 7.803 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408990840 1070357279 /nfs/dbraw/zinc/35/72/79/1070357279.db2.gz WTXOCBSZFNWANJ-UHFFFAOYSA-N 0 0 538.994 5.698 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)o1 ZINC000408992169 1070359822 /nfs/dbraw/zinc/35/98/22/1070359822.db2.gz ZVVQAJIFGIQYII-WNBZBHRJSA-N 0 0 632.876 5.284 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408993719 1070369399 /nfs/dbraw/zinc/36/93/99/1070369399.db2.gz FEPMARUJEPXLAH-JOHYPREOSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999569 1070374647 /nfs/dbraw/zinc/37/46/47/1070374647.db2.gz LSGZSKYPJIGRRO-JBVGNYNVSA-N 0 0 817.556 8.071 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408997692 1070372108 /nfs/dbraw/zinc/37/21/08/1070372108.db2.gz SKMMPMNNGBKNGZ-JBVGNYNVSA-N 0 0 690.734 6.668 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999894 1070375100 /nfs/dbraw/zinc/37/51/00/1070375100.db2.gz SRIGEOSZYGWIFM-IQPMGOHCSA-N 0 0 738.660 7.309 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409024791 1070408212 /nfs/dbraw/zinc/40/82/12/1070408212.db2.gz WSQNLAMAHJJQAK-VCHYOVAHSA-N 0 0 554.362 5.232 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031259 1070415963 /nfs/dbraw/zinc/41/59/63/1070415963.db2.gz ACGVMEIVRWZNBP-DJTCXORXSA-N 0 0 674.570 5.052 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000409037052 1070439064 /nfs/dbraw/zinc/43/90/64/1070439064.db2.gz MTLVNBAZFQIAQI-ITNPZBTBSA-N 0 0 692.588 5.837 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036862 1070438466 /nfs/dbraw/zinc/43/84/66/1070438466.db2.gz WMXWMYXFUUGPOC-IVRZUQNJSA-N 0 0 784.613 5.138 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042837 1070448067 /nfs/dbraw/zinc/44/80/67/1070448067.db2.gz XXPGUTWZODJCRC-IVRZUQNJSA-N 0 0 845.519 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042978 1070448103 /nfs/dbraw/zinc/44/81/03/1070448103.db2.gz MBUAWBWWLBNWRL-ACNFRRSXSA-N 0 0 816.683 6.152 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409046382 1070455343 /nfs/dbraw/zinc/45/53/43/1070455343.db2.gz KIBSNKHIDJYYHD-UAMLYEQYSA-N 0 0 763.464 6.964 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080770 1070502988 /nfs/dbraw/zinc/50/29/88/1070502988.db2.gz ODHLMSVBMURVMK-FUFNRSNVSA-N 0 0 680.602 5.937 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409086130 1070506704 /nfs/dbraw/zinc/50/67/04/1070506704.db2.gz YPKVJXSICIXYPH-ZBXXMNEPSA-N 0 0 582.059 5.104 40 5 KKBBRN O=C1C(=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)NC(=S)N1C1CCCCC1 ZINC000409079526 1070515649 /nfs/dbraw/zinc/51/56/49/1070515649.db2.gz GKGHRSRCUAWZNZ-NDENLUEZSA-N 0 0 689.313 5.773 40 5 KKBBRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409101106 1070533792 /nfs/dbraw/zinc/53/37/92/1070533792.db2.gz VHAKCTDZCPZRQB-UHFFFAOYSA-N 0 0 500.502 6.335 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101075 1070533900 /nfs/dbraw/zinc/53/39/00/1070533900.db2.gz PJHXRFCGNKDQFY-KMBIYUNPSA-N 0 0 611.507 5.579 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c3ccccc3cc3ccccc32)N1Cc1ccccc1 ZINC000409113516 1070539308 /nfs/dbraw/zinc/53/93/08/1070539308.db2.gz BKPFVACFSWKAGZ-PGUFJCEWSA-N 0 0 549.630 8.263 40 5 KKBBRN C[C@@H](NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409122526 1070547550 /nfs/dbraw/zinc/54/75/50/1070547550.db2.gz ZESUXNVSSHIRTC-AYAMJOBCSA-N 0 0 626.713 7.212 40 5 KKBBRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115030 1070549838 /nfs/dbraw/zinc/54/98/38/1070549838.db2.gz GOUZGURYPNDZGP-UHFFFAOYSA-N 0 0 552.796 6.751 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148111 1070566677 /nfs/dbraw/zinc/56/66/77/1070566677.db2.gz XHGULFIKUKAGOZ-HXUWFJFHSA-N 0 0 585.008 5.736 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409153718 1070578345 /nfs/dbraw/zinc/57/83/45/1070578345.db2.gz MHPAFAVEINPZNP-AUEPDCJTSA-N 0 0 642.986 5.419 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409165678 1070583668 /nfs/dbraw/zinc/58/36/68/1070583668.db2.gz AWINKOHBFGSELG-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409166431 1070584178 /nfs/dbraw/zinc/58/41/78/1070584178.db2.gz DIOLQJFVXMDURG-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409166405 1070584386 /nfs/dbraw/zinc/58/43/86/1070584386.db2.gz DGOACAKPCIYSLP-RGVLZGJSSA-N 0 0 529.983 5.905 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409168082 1070586315 /nfs/dbraw/zinc/58/63/15/1070586315.db2.gz KBNILIAEFDCRGQ-FSJBWODESA-N 0 0 666.428 7.242 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409168223 1070586417 /nfs/dbraw/zinc/58/64/17/1070586417.db2.gz LOYXIRQPTGODPU-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181105 1070598439 /nfs/dbraw/zinc/59/84/39/1070598439.db2.gz WNVYPMGRBSTIRL-UHFFFAOYSA-N 0 0 666.382 6.451 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409183489 1070602445 /nfs/dbraw/zinc/60/24/45/1070602445.db2.gz TYSWRCZZSQAZPU-AREMUKBSSA-N 0 0 575.360 6.483 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OCC)c3)C(=O)O2)cc1OCC ZINC000409191178 1070608401 /nfs/dbraw/zinc/60/84/01/1070608401.db2.gz UJDLYMXBLZPQMG-JCMHNJIXSA-N 0 0 546.532 5.355 40 5 KKBBRN Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000409194520 1070613469 /nfs/dbraw/zinc/61/34/69/1070613469.db2.gz OOMRKILEFVDMBT-JAIQZWGSSA-N 0 0 586.192 5.992 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409196790 1070617242 /nfs/dbraw/zinc/61/72/42/1070617242.db2.gz XVSMQWRVTGCMFW-OCKHKDLRSA-N 0 0 589.811 5.873 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl ZINC000409198164 1070619372 /nfs/dbraw/zinc/61/93/72/1070619372.db2.gz YUCNGTVNBAMFCK-QRVIBDJDSA-N 0 0 611.032 6.067 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201738 1070627356 /nfs/dbraw/zinc/62/73/56/1070627356.db2.gz XMZCPSXIFAYXPW-ZVHZXABRSA-N 0 0 569.433 6.224 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205712 1070631779 /nfs/dbraw/zinc/63/17/79/1070631779.db2.gz FGBXBQHUWGOUAV-NHDPSOOVSA-N 0 0 554.968 5.509 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409217721 1070640191 /nfs/dbraw/zinc/64/01/91/1070640191.db2.gz ANYVCJNUJATMNK-ZVBGSRNCSA-N 0 0 572.914 5.763 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409247709 1070664295 /nfs/dbraw/zinc/66/42/95/1070664295.db2.gz AUESLIQDOKFPTL-BRJLIKDPSA-N 0 0 626.485 6.237 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409264611 1070687638 /nfs/dbraw/zinc/68/76/38/1070687638.db2.gz LJRDFCCMQLRYLI-AFUMVMLFSA-N 0 0 600.565 6.132 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409260326 1070695519 /nfs/dbraw/zinc/69/55/19/1070695519.db2.gz OQOXJKAVZHMROV-JVWAILMASA-N 0 0 709.518 7.005 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409270584 1070706375 /nfs/dbraw/zinc/70/63/75/1070706375.db2.gz HLFFLMWMZFFCHU-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409271151 1070707261 /nfs/dbraw/zinc/70/72/61/1070707261.db2.gz JMAIACVVQJOOTN-UUYOSTAYSA-N 0 0 564.925 7.699 40 5 KKBBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409271180 1070707757 /nfs/dbraw/zinc/70/77/57/1070707757.db2.gz JSIDSIVKWRDXFT-RPPGKUMJSA-N 0 0 532.618 5.990 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409271588 1070708389 /nfs/dbraw/zinc/70/83/89/1070708389.db2.gz KJRRYDQBBLSBER-XKZIYDEJSA-N 0 0 530.480 7.046 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409271664 1070708853 /nfs/dbraw/zinc/70/88/53/1070708853.db2.gz KYSPYWQXWMRPIS-MTJSOVHGSA-N 0 0 525.926 5.363 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000409276418 1070721426 /nfs/dbraw/zinc/72/14/26/1070721426.db2.gz QVQBBYCSQMWCSC-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408879579 1070794165 /nfs/dbraw/zinc/79/41/65/1070794165.db2.gz BWBTXYUXMMLKLM-NHDPSOOVSA-N 0 0 777.172 7.382 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409328588 1070829807 /nfs/dbraw/zinc/82/98/07/1070829807.db2.gz YBVKSSDOKXMPEH-RGVLZGJSSA-N 0 0 542.367 5.601 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1Br ZINC000409332993 1070837479 /nfs/dbraw/zinc/83/74/79/1070837479.db2.gz UFKAZPSQWZITRW-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409340826 1070847157 /nfs/dbraw/zinc/84/71/57/1070847157.db2.gz AZNQHYPOHNZPRS-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409347110 1070863724 /nfs/dbraw/zinc/86/37/24/1070863724.db2.gz MCAALULNMCCWQS-KEPJHFNWSA-N 0 0 739.588 5.597 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355397 1070875166 /nfs/dbraw/zinc/87/51/66/1070875166.db2.gz CFKGYZCOECAPLU-VNOBABJFSA-N 0 0 742.648 6.908 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409355698 1070875908 /nfs/dbraw/zinc/87/59/08/1070875908.db2.gz DLQPCUBONSWXEV-NSHDSACASA-N 0 0 557.847 5.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353371 1070872508 /nfs/dbraw/zinc/87/25/08/1070872508.db2.gz JUGMTWUOSSYANB-IPAKXIGBSA-N 0 0 774.033 6.251 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409374494 1070897399 /nfs/dbraw/zinc/89/73/99/1070897399.db2.gz RDWOIYGTEJHTLL-CVKSISIWSA-N 0 0 575.643 6.173 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409380887 1070906340 /nfs/dbraw/zinc/90/63/40/1070906340.db2.gz PTBNPIVQVCKXON-OAQYLSRUSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409412092 1070922085 /nfs/dbraw/zinc/92/20/85/1070922085.db2.gz RAHRRFQBROILEH-UHFFFAOYSA-N 0 0 560.817 5.695 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408910005 1070971602 /nfs/dbraw/zinc/97/16/02/1070971602.db2.gz VPXSGLIKPIEFHK-ASUJOLEISA-N 0 0 673.744 5.092 40 5 KKBBRN O=c1oc(=O)c2cc(Cl)c3c4c(Cl)cc5c(=O)oc(=O)c6c(Cl)cc(c7c(Cl)cc1c2c73)c4c56 ZINC000584578353 1070978390 /nfs/dbraw/zinc/97/83/90/1070978390.db2.gz IFQQYABVVINQPY-UHFFFAOYSA-N 0 0 530.102 6.160 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408916796 1070998034 /nfs/dbraw/zinc/99/80/34/1070998034.db2.gz ZDOBTIJWCVSQAI-SFKHYTNKSA-N 0 0 828.504 6.851 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC(C)C ZINC000408917056 1070994269 /nfs/dbraw/zinc/99/42/69/1070994269.db2.gz LPKGUOHKUJDLDK-VCHYOVAHSA-N 0 0 554.362 5.232 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916971 1070996619 /nfs/dbraw/zinc/99/66/19/1070996619.db2.gz JUCWRFLLHWDIFG-SRZZPIQSSA-N 0 0 716.266 6.759 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408915958 1071005666 /nfs/dbraw/zinc/00/56/66/1071005666.db2.gz SKBUVWUFFPFRPT-OINPTKSXSA-N 0 0 688.183 6.146 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408910529 1071068717 /nfs/dbraw/zinc/06/87/17/1071068717.db2.gz INZTZZHJZWOEPL-HNVAQCFTSA-N 0 0 913.528 7.031 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408920170 1071109679 /nfs/dbraw/zinc/10/96/79/1071109679.db2.gz HYEUAGHVFIYBOH-MFCBUNOESA-N 0 0 589.695 5.385 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408919680 1071115621 /nfs/dbraw/zinc/11/56/21/1071115621.db2.gz BIPOFBKRXGCHRL-MFCBUNOESA-N 0 0 589.695 5.385 40 5 KKBBRN Cc1cccc(COc2c(Br)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 ZINC000408919665 1071114709 /nfs/dbraw/zinc/11/47/09/1071114709.db2.gz ZXVYCEPKFZZDAS-WSDLNYQXSA-N 0 0 618.303 7.244 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408918916 1071125543 /nfs/dbraw/zinc/12/55/43/1071125543.db2.gz QOZQHDVPWLDUTA-SRZZPIQSSA-N 0 0 730.172 7.540 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408918786 1071128061 /nfs/dbraw/zinc/12/80/61/1071128061.db2.gz PBLVIDWHDNCWPU-WSDLNYQXSA-N 0 0 545.400 6.726 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000408918721 1071131325 /nfs/dbraw/zinc/13/13/25/1071131325.db2.gz OESPQBOCVBWWBE-FGEXJBCWSA-N 0 0 503.352 5.115 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408918482 1071132140 /nfs/dbraw/zinc/13/21/40/1071132140.db2.gz LBIFFEAPVBYFOL-OEAKJJBVSA-N 0 0 568.007 5.901 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408917590 1071144522 /nfs/dbraw/zinc/14/45/22/1071144522.db2.gz XYUBMICWLHKRSH-WYMPLXKRSA-N 0 0 614.430 6.480 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408917659 1071145247 /nfs/dbraw/zinc/14/52/47/1071145247.db2.gz ZLALMBXVNOHKAC-WYMPLXKRSA-N 0 0 587.423 6.711 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000408929189 1071174437 /nfs/dbraw/zinc/17/44/37/1071174437.db2.gz IEAQCXZVAQVNAP-ZMOGYAJESA-N 0 0 596.459 6.228 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408929330 1071172200 /nfs/dbraw/zinc/17/22/00/1071172200.db2.gz IUSSDOIZFSKMDZ-SRZZPIQSSA-N 0 0 664.250 5.642 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408928149 1071187205 /nfs/dbraw/zinc/18/72/05/1071187205.db2.gz ZYZAAHXZHUHBBS-TZUCAZQYSA-N 0 0 645.759 5.405 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000408927987 1071188816 /nfs/dbraw/zinc/18/88/16/1071188816.db2.gz ZFPVTXGUONZJFH-MFCBUNOESA-N 0 0 589.695 5.385 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408927514 1071195137 /nfs/dbraw/zinc/19/51/37/1071195137.db2.gz PTZNJPUCOYHRMR-CUJVHFRDSA-N 0 0 684.730 5.576 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933487 1071240021 /nfs/dbraw/zinc/24/00/21/1071240021.db2.gz BAEDQPJDOLPEBZ-ILLSWNIOSA-N 0 0 867.456 5.512 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])c(Cl)cc5Cl)o4)c(=O)n32)cc1OCC ZINC000408933010 1071246803 /nfs/dbraw/zinc/24/68/03/1071246803.db2.gz GOXDHWGHWHYQSC-RHQUGFSWSA-N 0 0 644.489 5.291 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408931808 1071257259 /nfs/dbraw/zinc/25/72/59/1071257259.db2.gz QNZNHTCGJNKUBO-JJFYIABZSA-N 0 0 586.826 6.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408945640 1071275438 /nfs/dbraw/zinc/27/54/38/1071275438.db2.gz XFHVAVXBEXTLMV-KEPJHFNWSA-N 0 0 644.662 5.194 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n21 ZINC000408943709 1071289553 /nfs/dbraw/zinc/28/95/53/1071289553.db2.gz LVVOCIPMEDJDCS-ORVZPOCUSA-N 0 0 668.522 5.135 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3OC(C)C)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000408942786 1071297937 /nfs/dbraw/zinc/29/79/37/1071297937.db2.gz RNNXEIKZZLKAKP-DDIUQFJASA-N 0 0 764.651 6.012 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941940 1071305306 /nfs/dbraw/zinc/30/53/06/1071305306.db2.gz KTXVLYIWLBJXSN-CBDLDADJSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939099 1071326100 /nfs/dbraw/zinc/32/61/00/1071326100.db2.gz MVBNXLAOJNWQRB-SZYVSPPHSA-N 0 0 818.484 6.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938887 1071328192 /nfs/dbraw/zinc/32/81/92/1071328192.db2.gz MBDIBYFDQGCSPN-MFCBUNOESA-N 0 0 652.523 5.516 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408937543 1071340397 /nfs/dbraw/zinc/34/03/97/1071340397.db2.gz GUBNGDBMIUXBTM-ORVZPOCUSA-N 0 0 652.523 5.435 40 5 KKBBRN O=C(COC(=O)CCCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408686063 1071352404 /nfs/dbraw/zinc/35/24/04/1071352404.db2.gz RWCQAGCKTQMEBT-UHFFFAOYSA-N 0 0 577.204 5.547 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683356 1071366829 /nfs/dbraw/zinc/36/68/29/1071366829.db2.gz LHHKGLXTHLOZOX-UHFFFAOYSA-N 0 0 618.600 6.624 40 5 KKBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408691265 1071399199 /nfs/dbraw/zinc/39/91/99/1071399199.db2.gz ZCQSYTXYBNSVTB-ZDUSSCGKSA-N 0 0 607.230 5.554 40 5 KKBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408688907 1071417727 /nfs/dbraw/zinc/41/77/27/1071417727.db2.gz XEJMDECOQBYWRH-UHFFFAOYSA-N 0 0 597.194 5.753 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688328 1071423522 /nfs/dbraw/zinc/42/35/22/1071423522.db2.gz VZTSWAUWUJBEAB-FZDFQQAASA-N 0 0 608.994 5.606 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408688326 1071423526 /nfs/dbraw/zinc/42/35/26/1071423526.db2.gz VZDVUQZXSJVDLI-UHFFFAOYSA-N 0 0 716.962 6.498 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408687769 1071425956 /nfs/dbraw/zinc/42/59/56/1071425956.db2.gz VAWXCDLAWLQAMU-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c(OC)c1 ZINC000408976541 1071471840 /nfs/dbraw/zinc/47/18/40/1071471840.db2.gz FZHUQODGOXXRIR-IMUCPKNRSA-N 0 0 636.686 5.368 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975423 1071476105 /nfs/dbraw/zinc/47/61/05/1071476105.db2.gz JYTSEBDNRLAWSD-WWWKDLBZSA-N 0 0 548.664 5.503 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975412 1071476147 /nfs/dbraw/zinc/47/61/47/1071476147.db2.gz JUARXRAULHDROT-RISWYLRJSA-N 0 0 638.496 5.128 40 5 KKBBRN O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000408710477 1071508334 /nfs/dbraw/zinc/50/83/34/1071508334.db2.gz OQCWEHHZYMGUSV-UHFFFAOYSA-N 0 0 570.439 7.139 40 5 KKBBRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408710458 1071508364 /nfs/dbraw/zinc/50/83/64/1071508364.db2.gz IGNQIDVNBXYNBY-KNTRCKAVSA-N 0 0 575.537 5.768 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408983249 1071520272 /nfs/dbraw/zinc/52/02/72/1071520272.db2.gz GPJIZYFTWNHFTI-JOHYPREOSA-N 0 0 712.180 6.093 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408981480 1071535094 /nfs/dbraw/zinc/53/50/94/1071535094.db2.gz HWHXSHHGJMTLRF-ZDZYTSRMSA-N 0 0 702.967 5.790 40 5 KKBBRN CC(C)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C(C)C)cc5)c4cc32)cc1 ZINC000408719825 1071545974 /nfs/dbraw/zinc/54/59/74/1071545974.db2.gz GBVMSGNZOGQWKD-UHFFFAOYSA-N 0 0 656.782 10.802 40 5 KKBBRN CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1 ZINC000408979876 1071542630 /nfs/dbraw/zinc/54/26/30/1071542630.db2.gz DFKDFCXUEADGIW-UHFFFAOYSA-N 0 0 739.905 8.123 40 5 KKBBRN O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccc(Br)cc4)c3cc21 ZINC000408720718 1071542913 /nfs/dbraw/zinc/54/29/13/1071542913.db2.gz XOYUPNQMHLFXSX-UHFFFAOYSA-N 0 0 730.412 10.080 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408979726 1071543021 /nfs/dbraw/zinc/54/30/21/1071543021.db2.gz CSCXOBMHHXIZMC-IKJCGGEJSA-N 0 0 751.011 6.537 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720722 1071543532 /nfs/dbraw/zinc/54/35/32/1071543532.db2.gz XQFYNYUSOILBAY-OREYSHIXSA-N 0 0 506.558 5.619 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000408979343 1071544079 /nfs/dbraw/zinc/54/40/79/1071544079.db2.gz BUEUHUBJJQXORU-UHFFFAOYSA-N 0 0 739.905 8.220 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000408720527 1071544176 /nfs/dbraw/zinc/54/41/76/1071544176.db2.gz SYXDGXYAGGCJTK-KNWZFJHESA-N 0 0 506.558 5.701 40 5 KKBBRN COc1ccc(C(=O)Nc2ncnc3oc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c32)cc1[N+](=O)[O-] ZINC000408978004 1071549646 /nfs/dbraw/zinc/54/96/46/1071549646.db2.gz XOSYUVQSBCEWSP-UHFFFAOYSA-N 0 0 542.551 6.815 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733717 1071550082 /nfs/dbraw/zinc/55/00/82/1071550082.db2.gz OXTLMVMDAUHDQD-KEFSUDQCSA-N 0 0 769.059 7.904 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccccc1 ZINC000408733518 1071552240 /nfs/dbraw/zinc/55/22/40/1071552240.db2.gz YVTDQJKTMGFJKJ-SIZNEBELSA-N 0 0 530.536 5.578 40 5 KKBBRN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408736585 1071554941 /nfs/dbraw/zinc/55/49/41/1071554941.db2.gz CZZRMQWTMOBFLZ-MUUNZHRXSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735898 1071559162 /nfs/dbraw/zinc/55/91/62/1071559162.db2.gz ZBRMMMOLTGHRDQ-FUFNRSNVSA-N 0 0 682.549 5.526 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736666 1071555610 /nfs/dbraw/zinc/55/56/10/1071555610.db2.gz DXTQWWMEMSYTQI-GDLZYMKVSA-N 0 0 532.600 5.883 40 5 KKBBRN CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000408736386 1071555722 /nfs/dbraw/zinc/55/57/22/1071555722.db2.gz BJKMKPMRWVFSQB-OAQYLSRUSA-N 0 0 507.572 5.132 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408994846 1071555950 /nfs/dbraw/zinc/55/59/50/1071555950.db2.gz HCUWJJUZTDKUAR-GNZKFENCSA-N 0 0 711.752 6.225 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736055 1071558124 /nfs/dbraw/zinc/55/81/24/1071558124.db2.gz CHWIRIWHFCHBNO-JLKMOJGBSA-N 0 0 597.693 5.409 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408994104 1071559876 /nfs/dbraw/zinc/55/98/76/1071559876.db2.gz FSPJUWNFHDFSQW-WAHKBFHJSA-N 0 0 596.708 6.251 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734600 1071564644 /nfs/dbraw/zinc/56/46/44/1071564644.db2.gz ZGYDCSLXBCCEHO-DKOMQPSQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735592 1071560091 /nfs/dbraw/zinc/56/00/91/1071560091.db2.gz UWBVRZTYFWTHGV-OBDCIHEFSA-N 0 0 631.707 5.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734573 1071564678 /nfs/dbraw/zinc/56/46/78/1071564678.db2.gz YIYBVAIPNJZKMK-VVNKCDPRSA-N 0 0 608.470 5.037 40 5 KKBBRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)cc(OC)c1OC ZINC000408993935 1071560930 /nfs/dbraw/zinc/56/09/30/1071560930.db2.gz XPAFCLZSHFBKLC-AREMUKBSSA-N 0 0 558.616 5.991 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735501 1071561253 /nfs/dbraw/zinc/56/12/53/1071561253.db2.gz SZSWIMVIQJRCLX-PKYOQBLNSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735502 1071561350 /nfs/dbraw/zinc/56/13/50/1071561350.db2.gz SZSWIMVIQJRCLX-USDTVRPUSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733778 1071570208 /nfs/dbraw/zinc/57/02/08/1071570208.db2.gz QMFSNENEHRBMLU-SZYVSPPHSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734406 1071565849 /nfs/dbraw/zinc/56/58/49/1071565849.db2.gz XSSQSOUSWQFXTI-OKMHPQNISA-N 0 0 765.038 6.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734436 1071565880 /nfs/dbraw/zinc/56/58/80/1071565880.db2.gz YDJPPOSFFGGKOG-LABHGBKVSA-N 0 0 731.139 6.116 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734276 1071567075 /nfs/dbraw/zinc/56/70/75/1071567075.db2.gz WAMMJCWDMVQGHD-OCBLXXOXSA-N 0 0 748.641 7.559 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733777 1071570338 /nfs/dbraw/zinc/57/03/38/1071570338.db2.gz QMFSNENEHRBMLU-QUNTYYFUSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733904 1071568270 /nfs/dbraw/zinc/56/82/70/1071568270.db2.gz RMBYWVGASLCLID-AWPXEQHHSA-N 0 0 704.588 7.161 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733955 1071569053 /nfs/dbraw/zinc/56/90/53/1071569053.db2.gz TUOPWCOFDWMGOY-FUFNRSNVSA-N 0 0 660.502 5.989 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733180 1071572385 /nfs/dbraw/zinc/57/23/85/1071572385.db2.gz FRWFYNRCZMJVHZ-AMQCUNCASA-N 0 0 665.724 5.863 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733425 1071572425 /nfs/dbraw/zinc/57/24/25/1071572425.db2.gz IWXUNKUHGRIEMC-HQOQCIRISA-N 0 0 734.614 7.169 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733290 1071573358 /nfs/dbraw/zinc/57/33/58/1071573358.db2.gz XALNLMWSZNAFKT-BHFPBWTASA-N 0 0 668.555 6.100 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732878 1071577289 /nfs/dbraw/zinc/57/72/89/1071577289.db2.gz AEROXMUAAIMSKH-DKOMQPSQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408991868 1071578127 /nfs/dbraw/zinc/57/81/27/1071578127.db2.gz ZCFXZWGJCBARSS-VEOKEAFVSA-N 0 0 929.527 6.649 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732539 1071578220 /nfs/dbraw/zinc/57/82/20/1071578220.db2.gz WMXOQYGSHZJNGA-FUBXCCAHSA-N 0 0 749.842 6.771 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732278 1071579475 /nfs/dbraw/zinc/57/94/75/1071579475.db2.gz TVOPCZCOMRXTLJ-HHHXNRCGSA-N 0 0 547.633 5.845 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732279 1071579634 /nfs/dbraw/zinc/57/96/34/1071579634.db2.gz TVOPCZCOMRXTLJ-MHZLTWQESA-N 0 0 547.633 5.845 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408990781 1071586406 /nfs/dbraw/zinc/58/64/06/1071586406.db2.gz LZWZFOWNBACTEZ-RRWAGRPKSA-N 0 0 770.911 9.092 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730425 1071586954 /nfs/dbraw/zinc/58/69/54/1071586954.db2.gz GFAPBLSARRCEFU-YRSDHNRQSA-N 0 0 664.534 5.166 40 5 KKBBRN O=c1[nH]c(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408991154 1071584627 /nfs/dbraw/zinc/58/46/27/1071584627.db2.gz NABCXRQQBJHLMF-UHFFFAOYSA-N 0 0 506.634 7.002 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729927 1071589889 /nfs/dbraw/zinc/58/98/89/1071589889.db2.gz FFWLUWOSDKBFSL-BBTSICJMSA-N 0 0 721.788 5.991 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5)n4Cc4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000408990395 1071590654 /nfs/dbraw/zinc/59/06/54/1071590654.db2.gz VKNRWHJIFRGGQL-UHFFFAOYSA-N 0 0 697.824 6.982 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408990391 1071590725 /nfs/dbraw/zinc/59/07/25/1071590725.db2.gz VHQCDEODYKRREQ-SWBDNCPRSA-N 0 0 707.761 5.449 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729537 1071591323 /nfs/dbraw/zinc/59/13/23/1071591323.db2.gz GOFMSPNYCJPEDQ-MBSKNMOHSA-N 0 0 690.561 6.852 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000408729664 1071591742 /nfs/dbraw/zinc/59/17/42/1071591742.db2.gz BUJYPBHBXXAXMH-WBWZXODPSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729651 1071591748 /nfs/dbraw/zinc/59/17/48/1071591748.db2.gz HOAZGZBRRUGNGX-PNQAETMRSA-N 0 0 696.694 5.462 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408729300 1071593034 /nfs/dbraw/zinc/59/30/34/1071593034.db2.gz AUVPFNZLIYHVFU-VRPFKAJPSA-N 0 0 594.963 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729095 1071593928 /nfs/dbraw/zinc/59/39/28/1071593928.db2.gz AMTIPCGAQHSNTB-NJJIUVASSA-N 0 0 735.815 6.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729010 1071594803 /nfs/dbraw/zinc/59/48/03/1071594803.db2.gz BQDZCDWOWGLDAC-QQMBNGEASA-N 0 0 730.593 6.317 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408988241 1071605269 /nfs/dbraw/zinc/60/52/69/1071605269.db2.gz RQNGOMKWJKGDHF-XQAWFANUSA-N 0 0 688.940 5.400 40 5 KKBBRN Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408738943 1071606653 /nfs/dbraw/zinc/60/66/53/1071606653.db2.gz XGLVJAQYQVJBMA-MUUNZHRXSA-N 0 0 507.590 5.710 40 5 KKBBRN Cc1cc(I)cc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408737925 1071612047 /nfs/dbraw/zinc/61/20/47/1071612047.db2.gz PZVIPETVGDXYAH-JOCHJYFZSA-N 0 0 573.387 5.292 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408996646 1071616972 /nfs/dbraw/zinc/61/69/72/1071616972.db2.gz LVLBHOUNLSZLQP-VEOKEAFVSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408995847 1071620516 /nfs/dbraw/zinc/62/05/16/1071620516.db2.gz BNVMBMSMBNORAR-JESJEVRBSA-N 0 0 726.605 6.194 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2c(Cl)cccc2Cl)cc1 ZINC000409005351 1071629757 /nfs/dbraw/zinc/62/97/57/1071629757.db2.gz HWHLPWKVGPQCBA-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408756231 1071639988 /nfs/dbraw/zinc/63/99/88/1071639988.db2.gz OUBLZLLSOGVESR-GTIUJOIGSA-N 0 0 635.701 6.599 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756614 1071637136 /nfs/dbraw/zinc/63/71/36/1071637136.db2.gz RILGRRYTBHJMCL-DDIUQFJASA-N 0 0 729.450 7.331 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755929 1071642067 /nfs/dbraw/zinc/64/20/67/1071642067.db2.gz GJGVJFBLQRVBGZ-VSQRRKBNSA-N 0 0 665.749 5.312 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2C)C4=O)ccc1Br ZINC000408755713 1071642679 /nfs/dbraw/zinc/64/26/79/1071642679.db2.gz FAZDPVWNJGXDFE-UHFFFAOYSA-N 0 0 501.336 6.595 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc(O)c2)C4=O)cc1C ZINC000409001209 1071647083 /nfs/dbraw/zinc/64/70/83/1071647083.db2.gz VLPILIATVZDRCG-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409000911 1071648225 /nfs/dbraw/zinc/64/82/25/1071648225.db2.gz YZOBNJDZMFDGRZ-XNENXQGPSA-N 0 0 663.777 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998843 1071657794 /nfs/dbraw/zinc/65/77/94/1071657794.db2.gz QRKCBZZOJPALGU-GORIGYSASA-N 0 0 787.601 6.324 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998384 1071659640 /nfs/dbraw/zinc/65/96/40/1071659640.db2.gz UJNDGXSNRSYTEH-PEPUGYCWSA-N 0 0 805.501 6.956 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408753112 1071660796 /nfs/dbraw/zinc/66/07/96/1071660796.db2.gz HVNPCJLSBOTFPD-NXYYLBPMSA-N 0 0 805.501 6.956 40 5 KKBBRN C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000408997353 1071664408 /nfs/dbraw/zinc/66/44/08/1071664408.db2.gz FQQOIDBBSVAGHX-DFHRPNOPSA-N 0 0 507.590 5.332 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409016201 1071668881 /nfs/dbraw/zinc/66/88/81/1071668881.db2.gz STJVDCDDPJLCSS-OTGIAGGSSA-N 0 0 521.389 5.780 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409015690 1071670368 /nfs/dbraw/zinc/67/03/68/1071670368.db2.gz RUIAPEPKIYXNQW-PCLIKHOPSA-N 0 0 716.408 6.084 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc(Cl)cc1 ZINC000408750850 1071672662 /nfs/dbraw/zinc/67/26/62/1071672662.db2.gz SLIHAEIKLGXMQQ-UHFFFAOYSA-N 0 0 524.967 5.389 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409014818 1071673781 /nfs/dbraw/zinc/67/37/81/1071673781.db2.gz LCAJHVIRMTZTKL-JVWAILMASA-N 0 0 667.538 5.330 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 ZINC000408750411 1071675009 /nfs/dbraw/zinc/67/50/09/1071675009.db2.gz MMXNAYUXEOECPW-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409013679 1071678779 /nfs/dbraw/zinc/67/87/79/1071678779.db2.gz NGLMANOCGYFNJA-FYJGNVAPSA-N 0 0 585.354 5.274 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409010974 1071689791 /nfs/dbraw/zinc/68/97/91/1071689791.db2.gz GNVICSVASLVJPK-ZXVVBBHZSA-N 0 0 507.615 5.378 40 5 KKBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409010242 1071693262 /nfs/dbraw/zinc/69/32/62/1071693262.db2.gz BRDXZENFOAJCRH-FATJQOLTSA-N 0 0 592.717 5.518 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408758569 1071705456 /nfs/dbraw/zinc/70/54/56/1071705456.db2.gz MUMSQGGGJKTVKM-VEOKEAFVSA-N 0 0 835.527 6.965 40 5 KKBBRN COc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408758382 1071706002 /nfs/dbraw/zinc/70/60/02/1071706002.db2.gz ZCDYQLSSGDZLKY-UHFFFAOYSA-N 0 0 517.335 6.295 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758390 1071706065 /nfs/dbraw/zinc/70/60/65/1071706065.db2.gz ZFWKIAOIHRSFBB-VGEDDRPUSA-N 0 0 695.775 5.320 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758145 1071706408 /nfs/dbraw/zinc/70/64/08/1071706408.db2.gz VWOBEEBUDWTEBU-YVBHXKDBSA-N 0 0 644.934 6.903 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1cccc(O)c1)C3=O ZINC000408758195 1071706884 /nfs/dbraw/zinc/70/68/84/1071706884.db2.gz WUFRBHDKXBNKTB-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757657 1071711111 /nfs/dbraw/zinc/71/11/11/1071711111.db2.gz OKSNBHZNNIKCKB-USDTVRPUSA-N 0 0 610.489 6.249 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n31)c1ccccc1CC2 ZINC000408757663 1071711214 /nfs/dbraw/zinc/71/12/14/1071711214.db2.gz OLQZCFHXJMBQSB-UHAPOFRNSA-N 0 0 757.606 6.428 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408757371 1071713437 /nfs/dbraw/zinc/71/34/37/1071713437.db2.gz MPNHNSFWOAJWQQ-UHFFFAOYSA-N 0 0 531.362 6.685 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408766568 1071719859 /nfs/dbraw/zinc/71/98/59/1071719859.db2.gz VOFJJAPBWHECST-ADUBFANXSA-N 0 0 677.735 5.440 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408764941 1071725993 /nfs/dbraw/zinc/72/59/93/1071725993.db2.gz APCUKDXDYJCMPK-ITNPZBTBSA-N 0 0 596.064 6.149 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408764450 1071728314 /nfs/dbraw/zinc/72/83/14/1071728314.db2.gz ISJILRWYGAABDN-SLZKQOKCSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036868 1071739018 /nfs/dbraw/zinc/73/90/18/1071739018.db2.gz WMXWMYXFUUGPOC-QEEORQGDSA-N 0 0 784.613 5.138 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408767330 1071741249 /nfs/dbraw/zinc/74/12/49/1071741249.db2.gz FSOFZHMLVKCIGJ-BHFPBWTASA-N 0 0 850.482 5.678 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)c1 ZINC000408770473 1071743803 /nfs/dbraw/zinc/74/38/03/1071743803.db2.gz XYVUFPRMPFHIJL-HZHHUVPKSA-N 0 0 632.698 5.370 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000409035882 1071747537 /nfs/dbraw/zinc/74/75/37/1071747537.db2.gz KNLROTZYGQTNCQ-SOJUGJLBSA-N 0 0 678.163 5.736 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036219 1071744814 /nfs/dbraw/zinc/74/48/14/1071744814.db2.gz AUKBFZMFRAWUNZ-FMPWNGJLSA-N 0 0 798.874 6.782 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408776892 1071747618 /nfs/dbraw/zinc/74/76/18/1071747618.db2.gz SCNRIFORSJVDJR-JOHYPREOSA-N 0 0 728.248 6.807 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409035992 1071745693 /nfs/dbraw/zinc/74/56/93/1071745693.db2.gz KUHCHCOGBCCMMA-XDYZZPCYSA-N 0 0 715.626 6.261 40 5 KKBBRN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 ZINC000408775884 1071752472 /nfs/dbraw/zinc/75/24/72/1071752472.db2.gz SQFNUTAAMGLYEO-ASUJOLEISA-N 0 0 603.656 5.664 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408776759 1071748028 /nfs/dbraw/zinc/74/80/28/1071748028.db2.gz RBFTVZMNFIQUMV-VZVSMJQGSA-N 0 0 689.790 6.555 40 5 KKBBRN O=c1/c(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408775709 1071753610 /nfs/dbraw/zinc/75/36/10/1071753610.db2.gz UKKAKKIJPXJVDY-HAWPWTPLSA-N 0 0 629.141 6.883 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408773371 1071768046 /nfs/dbraw/zinc/76/80/46/1071768046.db2.gz QRJAUZIFGCSHFG-WGJPBTIMSA-N 0 0 714.569 6.324 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409033140 1071772161 /nfs/dbraw/zinc/77/21/61/1071772161.db2.gz DVMHZYBRUCIMRN-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408772457 1071772911 /nfs/dbraw/zinc/77/29/11/1071772911.db2.gz PKQIAJNIULCJRC-PNZYDNNZSA-N 0 0 540.439 6.098 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408771790 1071778244 /nfs/dbraw/zinc/77/82/44/1071778244.db2.gz ICCPXEVJAVZGTB-FABFSAKGSA-N 0 0 793.465 7.087 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408771352 1071781316 /nfs/dbraw/zinc/78/13/16/1071781316.db2.gz FVHWMZNLTWMCCH-QDNAUZDWSA-N 0 0 666.335 6.703 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409031897 1071783054 /nfs/dbraw/zinc/78/30/54/1071783054.db2.gz BHPNCFCVFQBZDZ-STZFKDTASA-N 0 0 524.396 5.541 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408771070 1071783378 /nfs/dbraw/zinc/78/33/78/1071783378.db2.gz FHAHJDBKMCMBFN-XNENXQGPSA-N 0 0 693.803 6.153 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408769677 1071790247 /nfs/dbraw/zinc/79/02/47/1071790247.db2.gz ZAXXNCHBEWVSML-ARLGEPFESA-N 0 0 570.465 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031495 1071787724 /nfs/dbraw/zinc/78/77/24/1071787724.db2.gz AUROLJLHFXJHSK-BXMULHQWSA-N 0 0 895.510 6.291 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409031388 1071789215 /nfs/dbraw/zinc/78/92/15/1071789215.db2.gz AHRJMVNJKFGZJQ-JAYSWQADSA-N 0 0 624.502 5.592 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(C)C2=S)cc1 ZINC000409031135 1071792047 /nfs/dbraw/zinc/79/20/47/1071792047.db2.gz GKDPRCPMMRAZAS-HAHDFKILSA-N 0 0 568.449 5.939 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)c1 ZINC000408768190 1071803452 /nfs/dbraw/zinc/80/34/52/1071803452.db2.gz USJMAYWLRNTWBJ-GQFYKFLTSA-N 0 0 665.727 6.608 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 ZINC000408781212 1071818792 /nfs/dbraw/zinc/81/87/92/1071818792.db2.gz BIYSISGWFDDWRX-VCDQAHEJSA-N 0 0 601.435 6.228 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037903 1071818117 /nfs/dbraw/zinc/81/81/17/1071818117.db2.gz ODLTZTCTHGURLU-IIMDPYCFSA-N 0 0 783.610 5.974 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000409046521 1071830883 /nfs/dbraw/zinc/83/08/83/1071830883.db2.gz KLAJDWREJLUVCS-FQKMCRJQSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409046018 1071836945 /nfs/dbraw/zinc/83/69/45/1071836945.db2.gz QVTJFZCVBKEVEO-QEEORQGDSA-N 0 0 939.519 5.445 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 ZINC000409045999 1071837172 /nfs/dbraw/zinc/83/71/72/1071837172.db2.gz QTALILDVNLBMAD-GSTVVXAASA-N 0 0 657.745 5.471 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043897 1071853762 /nfs/dbraw/zinc/85/37/62/1071853762.db2.gz FTTDCGKUZHWFPX-LMWPEEHHSA-N 0 0 939.519 5.445 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409043077 1071863226 /nfs/dbraw/zinc/86/32/26/1071863226.db2.gz ZIKUQBPGDKEGKR-FQKMCRJQSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408784680 1071864039 /nfs/dbraw/zinc/86/40/39/1071864039.db2.gz RTPZODXCYKHUMQ-CBYYHRJHSA-N 0 0 640.537 5.110 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042839 1071866728 /nfs/dbraw/zinc/86/67/28/1071866728.db2.gz XXPGUTWZODJCRC-QEEORQGDSA-N 0 0 845.519 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042429 1071868882 /nfs/dbraw/zinc/86/88/82/1071868882.db2.gz KTJPJXDRLQIUMU-RIFKOAFWSA-N 0 0 673.744 5.090 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041342 1071881780 /nfs/dbraw/zinc/88/17/80/1071881780.db2.gz ZWZDRSMOACTTQB-PGNBASISSA-N 0 0 857.676 5.239 40 5 KKBBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1Nc1ccccc1 ZINC000408796123 1071879825 /nfs/dbraw/zinc/87/98/25/1071879825.db2.gz DRQMVMSUYBIPPR-ZYQXAYLFSA-N 0 0 523.034 7.562 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040827 1071885686 /nfs/dbraw/zinc/88/56/86/1071885686.db2.gz USKVIGSDUJQZTA-KDDCWKTLSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040930 1071886807 /nfs/dbraw/zinc/88/68/07/1071886807.db2.gz VETDZJYBRZNMHX-VNOBABJFSA-N 0 0 666.756 5.505 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409040399 1071890274 /nfs/dbraw/zinc/89/02/74/1071890274.db2.gz UCARUDHIONDBSD-MKWGYRPRSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409040420 1071890279 /nfs/dbraw/zinc/89/02/79/1071890279.db2.gz IACXQXUIHUNIOW-QQGWEUGNSA-N 0 0 772.839 6.062 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000409040422 1071890284 /nfs/dbraw/zinc/89/02/84/1071890284.db2.gz IAUDBXSSNVGZJK-MRWVFDTMSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408791229 1071891729 /nfs/dbraw/zinc/89/17/29/1071891729.db2.gz XNOKROWGZBKGOG-QZVQSRICSA-N 0 0 665.699 5.571 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409039602 1071898811 /nfs/dbraw/zinc/89/88/11/1071898811.db2.gz HDFLMZVTSSWBBK-ITNPZBTBSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039685 1071896240 /nfs/dbraw/zinc/89/62/40/1071896240.db2.gz RVIOOTVVIVEADL-FZEVDNDPSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038854 1071904751 /nfs/dbraw/zinc/90/47/51/1071904751.db2.gz VZNIAQLOJIQDEW-IVRZUQNJSA-N 0 0 756.617 5.543 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038484 1071906847 /nfs/dbraw/zinc/90/68/47/1071906847.db2.gz VOSRFNYUVFMGDV-XSTKMXAKSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408805279 1071907424 /nfs/dbraw/zinc/90/74/24/1071907424.db2.gz FSOPSFGAEAPVDW-PLNPHXOGSA-N 0 0 665.699 5.571 40 5 KKBBRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408805294 1071907480 /nfs/dbraw/zinc/90/74/80/1071907480.db2.gz FWXLTPORPKFOJK-YEMRGMOGSA-N 0 0 558.680 7.236 40 5 KKBBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N(C)C1=S ZINC000409038411 1071909547 /nfs/dbraw/zinc/90/95/47/1071909547.db2.gz OVVCFUFSOYXINC-YVLHZVERSA-N 0 0 555.248 5.119 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047545 1071978751 /nfs/dbraw/zinc/97/87/51/1071978751.db2.gz USIPLDRUQGTKKC-LMWPEEHHSA-N 0 0 756.617 5.543 40 5 KKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409066723 1072001712 /nfs/dbraw/zinc/00/17/12/1072001712.db2.gz BHUFQBUCANENPA-LBFZPMSMSA-N 0 0 511.339 5.078 40 5 KKBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409067328 1072039491 /nfs/dbraw/zinc/03/94/91/1072039491.db2.gz CNUYBFRABWYPDK-DTQASYIRSA-N 0 0 511.339 5.078 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409077135 1072043634 /nfs/dbraw/zinc/04/36/34/1072043634.db2.gz CPUFVUVLLIBFEJ-XDYZZPCYSA-N 0 0 714.594 6.210 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409076947 1072045388 /nfs/dbraw/zinc/04/53/88/1072045388.db2.gz BYKZQCYPGWZCSJ-XQNWCSQWSA-N 0 0 565.607 5.120 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C1CCCCC1 ZINC000409076401 1072053265 /nfs/dbraw/zinc/05/32/65/1072053265.db2.gz AXTUBUYQJWTRIM-MOSHPQCFSA-N 0 0 500.349 5.162 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409072409 1072083209 /nfs/dbraw/zinc/08/32/09/1072083209.db2.gz NIMABFXFDPIKGC-SRZZPIQSSA-N 0 0 556.344 5.177 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409080453 1072123741 /nfs/dbraw/zinc/12/37/41/1072123741.db2.gz HZIUWTMWLAHSAH-ZTJHJZSNSA-N 0 0 661.523 6.358 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079419 1072134580 /nfs/dbraw/zinc/13/45/80/1072134580.db2.gz FTPZZULEQJLTSL-JAYSWQADSA-N 0 0 825.394 5.634 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409079339 1072137332 /nfs/dbraw/zinc/13/73/32/1072137332.db2.gz FLWKWWMDBSCNSA-UYXCRFNSSA-N 0 0 676.751 5.768 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000409078510 1072143975 /nfs/dbraw/zinc/14/39/75/1072143975.db2.gz ICBXBADZIJBFCQ-XNMXCUJWSA-N 0 0 662.724 5.378 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409077753 1072151570 /nfs/dbraw/zinc/15/15/70/1072151570.db2.gz GSDWGCSCUCIKSJ-ZCWBPALNSA-N 0 0 682.549 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086902 1072162136 /nfs/dbraw/zinc/16/21/36/1072162136.db2.gz SAWNNDHZVROVEK-DYCDSJFESA-N 0 0 696.576 5.753 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409085280 1072180435 /nfs/dbraw/zinc/18/04/35/1072180435.db2.gz OAPPWZQCRLZZFZ-VNOBABJFSA-N 0 0 789.648 6.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084539 1072189068 /nfs/dbraw/zinc/18/90/68/1072189068.db2.gz XLUYWMIJXCFRJG-CCVBWGSMSA-N 0 0 668.522 5.136 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409084157 1072194418 /nfs/dbraw/zinc/19/44/18/1072194418.db2.gz ABVWCHSQPOGYRI-NULZLWRNSA-N 0 0 627.078 5.704 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409096700 1072233290 /nfs/dbraw/zinc/23/32/90/1072233290.db2.gz DWWXZRWWSPQXJL-CXABMRDKSA-N 0 0 561.707 5.419 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409096102 1072236203 /nfs/dbraw/zinc/23/62/03/1072236203.db2.gz FKDQOJSNSCVWSE-CCVBWGSMSA-N 0 0 641.533 5.587 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096108 1072236730 /nfs/dbraw/zinc/23/67/30/1072236730.db2.gz FKDQOJSNSCVWSE-ZWTBYVTRSA-N 0 0 641.533 5.587 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409095895 1072237167 /nfs/dbraw/zinc/23/71/67/1072237167.db2.gz BQWNBUFJUIGJGW-CJIXEESDSA-N 0 0 682.180 5.104 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095949 1072237206 /nfs/dbraw/zinc/23/72/06/1072237206.db2.gz BXHFSNMDVVYESW-YNMQQHPQSA-N 0 0 653.613 6.470 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409095017 1072242472 /nfs/dbraw/zinc/24/24/72/1072242472.db2.gz GJFJRIHQJXQOPI-IDUWFGFVSA-N 0 0 598.169 7.210 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409094827 1072242935 /nfs/dbraw/zinc/24/29/35/1072242935.db2.gz GJQFKFDWNHMVJQ-IAOUMNOZSA-N 0 0 629.764 5.551 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409094179 1072248268 /nfs/dbraw/zinc/24/82/68/1072248268.db2.gz CRMZCYLOTDSARR-YDZHTSKRSA-N 0 0 785.354 6.457 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409326088 1072249515 /nfs/dbraw/zinc/24/95/15/1072249515.db2.gz 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ZINC000409098948 1072328638 /nfs/dbraw/zinc/32/86/38/1072328638.db2.gz RNYLFWYHVOEJDY-CBPRFPNYSA-N 0 0 627.767 5.020 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409098615 1072329480 /nfs/dbraw/zinc/32/94/80/1072329480.db2.gz QVLPSPPVAXUJKT-QTTRZTASSA-N 0 0 651.539 5.043 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409098656 1072329742 /nfs/dbraw/zinc/32/97/42/1072329742.db2.gz RANIPJZLRPSTJD-AYMIJMNYSA-N 0 0 697.820 5.521 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097373 1072337880 /nfs/dbraw/zinc/33/78/80/1072337880.db2.gz NLWWBSRIGLGLEC-RNECYNAXSA-N 0 0 726.631 5.213 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409097383 1072338211 /nfs/dbraw/zinc/33/82/11/1072338211.db2.gz GLWVDUPLGKEUSL-SAGCDJCOSA-N 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/nfs/dbraw/zinc/35/25/44/1072352544.db2.gz HXFFCTAGLCUKIH-UHFFFAOYSA-N 0 0 631.761 6.077 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409333666 1072353393 /nfs/dbraw/zinc/35/33/93/1072353393.db2.gz KZWLEIYZOVPDMS-ZJTZAHLKSA-N 0 0 694.947 6.642 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409332427 1072361080 /nfs/dbraw/zinc/36/10/80/1072361080.db2.gz FDTVAQGAKTUIAQ-HVDVVURSSA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409332276 1072362377 /nfs/dbraw/zinc/36/23/77/1072362377.db2.gz HISMZPBGPLGCJO-SZYVSPPHSA-N 0 0 675.075 6.097 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102406 1072367485 /nfs/dbraw/zinc/36/74/85/1072367485.db2.gz ZIZBPDWAQPKDBC-URFJJRPFSA-N 0 0 622.703 5.434 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409107356 1072367869 /nfs/dbraw/zinc/36/78/69/1072367869.db2.gz RCODUVMSSSYTOW-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 ZINC000409115403 1072368740 /nfs/dbraw/zinc/36/87/40/1072368740.db2.gz IYACMGWFXXVYCH-MHZLTWQESA-N 0 0 518.400 7.263 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409331364 1072369491 /nfs/dbraw/zinc/36/94/91/1072369491.db2.gz BTCIJRKAMLZKBM-UHFFFAOYSA-N 0 0 722.661 8.221 40 5 KKBBRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117106 1072371400 /nfs/dbraw/zinc/37/14/00/1072371400.db2.gz KQUZULLRLJUOGG-UHFFFAOYSA-N 0 0 532.378 6.406 40 5 KKBBRN CCc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409115638 1072376835 /nfs/dbraw/zinc/37/68/35/1072376835.db2.gz SOPLSGIJRHYQQC-UHFFFAOYSA-N 0 0 520.221 6.873 40 5 KKBBRN COc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409115294 1072377146 /nfs/dbraw/zinc/37/71/46/1072377146.db2.gz IMMBRDMBEKCLGI-UHFFFAOYSA-N 0 0 522.193 6.320 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409115042 1072378502 /nfs/dbraw/zinc/37/85/02/1072378502.db2.gz HXIGSSZRJCQSKA-UHFFFAOYSA-N 0 0 517.563 5.251 40 5 KKBBRN COC(=O)COc1cccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1 ZINC000409114848 1072379472 /nfs/dbraw/zinc/37/94/72/1072379472.db2.gz JPTSSRWYTZASDV-PMERELPUSA-N 0 0 537.572 5.508 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)O1 ZINC000409114229 1072382450 /nfs/dbraw/zinc/38/24/50/1072382450.db2.gz GOAIMEBBYVTZLS-HSZRJFAPSA-N 0 0 658.299 6.764 40 5 KKBBRN O=C1Nc2ccccc2/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409113577 1072384252 /nfs/dbraw/zinc/38/42/52/1072384252.db2.gz HMNGRNHEJYXILH-MFOYZWKCSA-N 0 0 530.172 6.192 40 5 KKBBRN Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1C ZINC000409113159 1072386633 /nfs/dbraw/zinc/38/66/33/1072386633.db2.gz GWXFMTGVLOQJQK-UHFFFAOYSA-N 0 0 504.921 7.283 40 5 KKBBRN COc1cc(CNc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111904 1072390773 /nfs/dbraw/zinc/39/07/73/1072390773.db2.gz DVNPABAEPLLPMB-UHFFFAOYSA-N 0 0 504.324 5.708 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409110753 1072394522 /nfs/dbraw/zinc/39/45/22/1072394522.db2.gz GMBKVGRYGQAOIG-UHFFFAOYSA-N 0 0 582.034 6.192 40 5 KKBBRN CCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409109856 1072397558 /nfs/dbraw/zinc/39/75/58/1072397558.db2.gz MUVQHFGGHCJCGE-UHFFFAOYSA-N 0 0 518.351 6.098 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3ccc4ccccc4c3OC(=O)[C@H]12 ZINC000409337210 1072402948 /nfs/dbraw/zinc/40/29/48/1072402948.db2.gz YSUFMSKLONSPPO-PLOYFGMMSA-N 0 0 594.963 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409337035 1072404099 /nfs/dbraw/zinc/40/40/99/1072404099.db2.gz SMJRMKIYFCYCGL-SCRHHBKZSA-N 0 0 664.743 5.078 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409108301 1072408017 /nfs/dbraw/zinc/40/80/17/1072408017.db2.gz ZTJCMUNRBYKUQV-JYXZFHPPSA-N 0 0 726.631 5.213 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409108281 1072408032 /nfs/dbraw/zinc/40/80/32/1072408032.db2.gz ZHRGQCFWQZBDKY-DDIUQFJASA-N 0 0 658.802 5.489 40 5 KKBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 ZINC000409336876 1072408089 /nfs/dbraw/zinc/40/80/89/1072408089.db2.gz QREHJSPZHBWNOJ-GOSISDBHSA-N 0 0 523.666 5.157 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409107465 1072414239 /nfs/dbraw/zinc/41/42/39/1072414239.db2.gz VSYDCYRRYAQPHO-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C ZINC000409346317 1072417007 /nfs/dbraw/zinc/41/70/07/1072417007.db2.gz KAXKCMZKTKMACM-FQEVSTJZSA-N 0 0 551.456 5.196 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409345965 1072418623 /nfs/dbraw/zinc/41/86/23/1072418623.db2.gz MJBLCUTWJOSFQM-WGARJPEWSA-N 0 0 625.681 5.478 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409121383 1072427083 /nfs/dbraw/zinc/42/70/83/1072427083.db2.gz WOYDOKSVBLPNSU-UHFFFAOYSA-N 0 0 519.570 7.095 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000409344485 1072431180 /nfs/dbraw/zinc/43/11/80/1072431180.db2.gz HAIBYVQHWPYSDE-QFEZKATASA-N 0 0 545.573 5.148 40 5 KKBBRN CCc1ccccc1NCc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409118024 1072443686 /nfs/dbraw/zinc/44/36/86/1072443686.db2.gz MPYMDNQAXPSFGP-UHFFFAOYSA-N 0 0 518.351 5.962 40 5 KKBBRN CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000409125668 1072457700 /nfs/dbraw/zinc/45/77/00/1072457700.db2.gz AKBXBUMBPKWHRA-PSXMRANNSA-N 0 0 634.132 8.587 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409340823 1072464766 /nfs/dbraw/zinc/46/47/66/1072464766.db2.gz AZNQHYPOHNZPRS-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 ZINC000409135591 1072483845 /nfs/dbraw/zinc/48/38/45/1072483845.db2.gz RKHDYLDAAKELLZ-NDENLUEZSA-N 0 0 556.356 5.694 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409338012 1072489918 /nfs/dbraw/zinc/48/99/18/1072489918.db2.gz BIQUYOKSJRUMRE-RGVLZGJSSA-N 0 0 632.392 5.070 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000409337755 1072493287 /nfs/dbraw/zinc/49/32/87/1072493287.db2.gz UQRIBFGSBQCWSX-UHFFFAOYSA-N 0 0 522.520 5.214 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000409337388 1072495632 /nfs/dbraw/zinc/49/56/32/1072495632.db2.gz ZVHSUPOWKRFYON-URENDEMCSA-N 0 0 574.545 5.307 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409133411 1072498857 /nfs/dbraw/zinc/49/88/57/1072498857.db2.gz LONGGNJCIWGZSV-UHFFFAOYSA-N 0 0 539.997 5.552 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409132443 1072504629 /nfs/dbraw/zinc/50/46/29/1072504629.db2.gz ZVOGSWLPAKOSSF-WGOQTCKBSA-N 0 0 597.487 7.004 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409131227 1072510688 /nfs/dbraw/zinc/51/06/88/1072510688.db2.gz NSHKRPPATYIJNZ-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409353286 1072522773 /nfs/dbraw/zinc/52/27/73/1072522773.db2.gz IOCVZELXHTWCRK-CYBMUJFWSA-N 0 0 537.429 5.043 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409128226 1072527397 /nfs/dbraw/zinc/52/73/97/1072527397.db2.gz DXKDOQXHJJXBQP-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1CC1CCCCC1 ZINC000409128006 1072527857 /nfs/dbraw/zinc/52/78/57/1072527857.db2.gz KLJRJWQNNYJDEY-WGOQTCKBSA-N 0 0 502.592 6.944 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409144509 1072534044 /nfs/dbraw/zinc/53/40/44/1072534044.db2.gz LKMXLVMABGAIEB-BIWBSIMWSA-N 0 0 649.198 5.223 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143836 1072539199 /nfs/dbraw/zinc/53/91/99/1072539199.db2.gz IVDKGCJNWIWPKO-CCVBWGSMSA-N 0 0 806.327 6.881 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CCCc1ccccc1 ZINC000409143178 1072542105 /nfs/dbraw/zinc/54/21/05/1072542105.db2.gz NMYKDVFRFCUPON-SRZZPIQSSA-N 0 0 503.363 6.831 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1Br ZINC000409350582 1072543109 /nfs/dbraw/zinc/54/31/09/1072543109.db2.gz YPHGHCBCZJYQKJ-CFRMEGHHSA-N 0 0 591.443 6.035 40 5 KKBBRN CCCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409141674 1072552567 /nfs/dbraw/zinc/55/25/67/1072552567.db2.gz WIKIRSUEMASBMP-SSEXGKCCSA-N 0 0 507.590 6.745 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409348642 1072555694 /nfs/dbraw/zinc/55/56/94/1072555694.db2.gz OBFBWQWKFYTKQH-ZMOGYAJESA-N 0 0 592.586 6.102 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409347734 1072561518 /nfs/dbraw/zinc/56/15/18/1072561518.db2.gz QUVNMEGJFBBYHL-ZMOGYAJESA-N 0 0 585.560 7.204 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)o1 ZINC000409347806 1072561890 /nfs/dbraw/zinc/56/18/90/1072561890.db2.gz MWVMRFPNABKXTJ-RGVLZGJSSA-N 0 0 605.366 5.143 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409347665 1072563398 /nfs/dbraw/zinc/56/33/98/1072563398.db2.gz MZSBUOMBYMTBNC-YDZHTSKRSA-N 0 0 505.552 5.962 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138530 1072569832 /nfs/dbraw/zinc/56/98/32/1072569832.db2.gz DEUDTFAVUYNAOD-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN CCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000409366023 1072576249 /nfs/dbraw/zinc/57/62/49/1072576249.db2.gz XMIPOYXQDNNTRV-UHFFFAOYSA-N 0 0 518.307 5.429 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146080 1072583217 /nfs/dbraw/zinc/58/32/17/1072583217.db2.gz RCSVRUYPSPIUJI-GKTKDVHMSA-N 0 0 693.532 5.265 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Br)cc1 ZINC000409156996 1072593456 /nfs/dbraw/zinc/59/34/56/1072593456.db2.gz ORWMRWZJGYTPRG-VXLYETTFSA-N 0 0 607.236 6.055 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409156325 1072595293 /nfs/dbraw/zinc/59/52/93/1072595293.db2.gz NMKGZNQSYKSJNL-WYMPLXKRSA-N 0 0 601.559 6.706 40 5 KKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409362025 1072596425 /nfs/dbraw/zinc/59/64/25/1072596425.db2.gz RQTIMUNNFJIVET-HXUWFJFHSA-N 0 0 522.458 6.323 40 5 KKBBRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409361723 1072598040 /nfs/dbraw/zinc/59/80/40/1072598040.db2.gz QUUVMRWQNFDZFC-LJQANCHMSA-N 0 0 551.456 5.278 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409155805 1072598446 /nfs/dbraw/zinc/59/84/46/1072598446.db2.gz CVWSAIVFWSIVJN-BHGWPJFGSA-N 0 0 656.467 5.739 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409155817 1072598463 /nfs/dbraw/zinc/59/84/63/1072598463.db2.gz DCENEHKUXLBVCF-QRVIBDJDSA-N 0 0 582.432 5.920 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409155643 1072598876 /nfs/dbraw/zinc/59/88/76/1072598876.db2.gz LXEPVSHTEANLIY-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409154790 1072604516 /nfs/dbraw/zinc/60/45/16/1072604516.db2.gz KMTUUYZURGFVQQ-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]1 ZINC000409154645 1072605571 /nfs/dbraw/zinc/60/55/71/1072605571.db2.gz NZCKERBYAPLPGR-HXUWFJFHSA-N 0 0 616.523 5.457 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409154382 1072607253 /nfs/dbraw/zinc/60/72/53/1072607253.db2.gz NXDBNSYUCYAMBB-WSDLNYQXSA-N 0 0 604.424 6.403 40 5 KKBBRN CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409359333 1072614735 /nfs/dbraw/zinc/61/47/35/1072614735.db2.gz ITTFTJSROLDAEU-UHFFFAOYSA-N 0 0 546.889 6.331 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409152651 1072616495 /nfs/dbraw/zinc/61/64/95/1072616495.db2.gz KTBTXXULANCXME-OAQYLSRUSA-N 0 0 581.482 5.380 40 5 KKBBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409358897 1072617332 /nfs/dbraw/zinc/61/73/32/1072617332.db2.gz LZLXPGBZCAXMCC-WKIKZPBSSA-N 0 0 598.593 5.145 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409152171 1072620835 /nfs/dbraw/zinc/62/08/35/1072620835.db2.gz JQLJVPXPTIEPRS-KSEXSDGBSA-N 0 0 660.886 6.051 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409151915 1072620851 /nfs/dbraw/zinc/62/08/51/1072620851.db2.gz CQMAJRWRZFSHAK-UUYOSTAYSA-N 0 0 507.524 5.155 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 ZINC000409151841 1072621856 /nfs/dbraw/zinc/62/18/56/1072621856.db2.gz CHVPGRPKICKYRS-XMMPIXPASA-N 0 0 542.706 5.426 40 5 KKBBRN Cc1sc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)nc1-c1ccccc1 ZINC000409150848 1072627980 /nfs/dbraw/zinc/62/79/80/1072627980.db2.gz FBXQMUSLRXSXJV-HXUWFJFHSA-N 0 0 551.654 5.003 40 5 KKBBRN CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1OC ZINC000409150395 1072629845 /nfs/dbraw/zinc/62/98/45/1072629845.db2.gz BVNRDRXMTZNOFI-JLHDDXNDSA-N 0 0 631.707 5.462 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149974 1072633041 /nfs/dbraw/zinc/63/30/41/1072633041.db2.gz WXUBPJNJXQNWEF-LIUIRDFASA-N 0 0 796.321 7.426 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409374490 1072637483 /nfs/dbraw/zinc/63/74/83/1072637483.db2.gz QZVUHIGDUYZUSJ-QRVIBDJDSA-N 0 0 562.604 5.781 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147855 1072645866 /nfs/dbraw/zinc/64/58/66/1072645866.db2.gz ZPNDYJBQQRUQDB-JJIPFWIHSA-N 0 0 736.806 5.218 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409165669 1072653646 /nfs/dbraw/zinc/65/36/46/1072653646.db2.gz ANWOOLIBMLMBJL-WSDLNYQXSA-N 0 0 564.532 5.287 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl ZINC000409165351 1072654496 /nfs/dbraw/zinc/65/44/96/1072654496.db2.gz WWQSTGOMCJCTGU-ZMOGYAJESA-N 0 0 641.058 6.076 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000409370272 1072655309 /nfs/dbraw/zinc/65/53/09/1072655309.db2.gz NZPLFELGPICWPU-NRFANRHFSA-N 0 0 560.426 5.713 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409164459 1072658435 /nfs/dbraw/zinc/65/84/35/1072658435.db2.gz ITAZDGRXQRJILW-CIAFOILYSA-N 0 0 507.524 5.155 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409163475 1072664253 /nfs/dbraw/zinc/66/42/53/1072664253.db2.gz SAXDXORKEZTFRH-BHGWPJFGSA-N 0 0 657.013 5.809 40 5 KKBBRN O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCCCC3)cc2Br)c1 ZINC000409367943 1072668259 /nfs/dbraw/zinc/66/82/59/1072668259.db2.gz OUSWMSJJVYVSMS-UHFFFAOYSA-N 0 0 514.239 5.860 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409379131 1072671467 /nfs/dbraw/zinc/67/14/67/1072671467.db2.gz UQJFJVLKBFNFBB-QRVIBDJDSA-N 0 0 604.479 5.384 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409162395 1072671599 /nfs/dbraw/zinc/67/15/99/1072671599.db2.gz VBUCYLADPJSNMQ-LCQSEVKBSA-N 0 0 600.052 5.773 40 5 KKBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409161556 1072675634 /nfs/dbraw/zinc/67/56/34/1072675634.db2.gz VQSMCAHOPPTMTQ-XQNWCSQWSA-N 0 0 617.680 5.072 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409161399 1072676740 /nfs/dbraw/zinc/67/67/40/1072676740.db2.gz UNNMBCVHWQFERH-SSDVNMTOSA-N 0 0 586.376 6.303 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409160489 1072682951 /nfs/dbraw/zinc/68/29/51/1072682951.db2.gz YUNGCHJLWIYVLK-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc(Cl)c1 ZINC000409160504 1072683620 /nfs/dbraw/zinc/68/36/20/1072683620.db2.gz QNXKKBULRQPYJB-MSXFZWOLSA-N 0 0 546.992 5.926 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000409159615 1072688151 /nfs/dbraw/zinc/68/81/51/1072688151.db2.gz ODYPTRAPKOROME-RGVLZGJSSA-N 0 0 542.367 5.601 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409159337 1072689610 /nfs/dbraw/zinc/68/96/10/1072689610.db2.gz SYJFGVNACOFXAW-RGVLZGJSSA-N 0 0 540.941 5.119 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409158346 1072694172 /nfs/dbraw/zinc/69/41/72/1072694172.db2.gz OKMROCXGHYTLKN-GATIEOLUSA-N 0 0 556.556 5.002 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409157527 1072698672 /nfs/dbraw/zinc/69/86/72/1072698672.db2.gz MWPDPKTWTAJVTI-WYMPLXKRSA-N 0 0 610.626 6.091 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409382878 1072704599 /nfs/dbraw/zinc/70/45/99/1072704599.db2.gz WXHMKNATFHDRNK-CFRMEGHHSA-N 0 0 642.915 6.211 40 5 KKBBRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409176733 1072706797 /nfs/dbraw/zinc/70/67/97/1072706797.db2.gz WDFLKPADHGDOOU-PMERELPUSA-N 0 0 533.540 6.237 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409176424 1072707603 /nfs/dbraw/zinc/70/76/03/1072707603.db2.gz MXFSRQHPKQJJFD-MHZLTWQESA-N 0 0 536.496 5.185 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409177048 1072708572 /nfs/dbraw/zinc/70/85/72/1072708572.db2.gz BSGNTQOQPFQDCF-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409177118 1072709021 /nfs/dbraw/zinc/70/90/21/1072709021.db2.gz AZUPCXNNCZPUHV-WYMPLXKRSA-N 0 0 601.559 6.706 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C ZINC000409175726 1072714402 /nfs/dbraw/zinc/71/44/02/1072714402.db2.gz BEIGHZZIWNYDGY-NDEPHWFRSA-N 0 0 529.570 5.825 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409380884 1072715095 /nfs/dbraw/zinc/71/50/95/1072715095.db2.gz PTBNPIVQVCKXON-NRFANRHFSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409175464 1072716515 /nfs/dbraw/zinc/71/65/15/1072716515.db2.gz ZJEISAMGOJVIDU-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409379860 1072721051 /nfs/dbraw/zinc/72/10/51/1072721051.db2.gz AEWDXGRLJAWZSR-QFEZKATASA-N 0 0 685.496 5.408 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409174460 1072722131 /nfs/dbraw/zinc/72/21/31/1072722131.db2.gz MMBSSOGCYXAPMX-LSFURLLWSA-N 0 0 587.488 5.810 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409174185 1072723776 /nfs/dbraw/zinc/72/37/76/1072723776.db2.gz SXEBPHXXMBDFQG-CIAFOILYSA-N 0 0 528.348 5.977 40 5 KKBBRN COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)o1 ZINC000409393997 1072723986 /nfs/dbraw/zinc/72/39/86/1072723986.db2.gz UCRZTDVLKHDINY-FMCGGJTJSA-N 0 0 517.519 5.214 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409173041 1072730259 /nfs/dbraw/zinc/73/02/59/1072730259.db2.gz KXRJJIVUTBHTLD-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409171630 1072738231 /nfs/dbraw/zinc/73/82/31/1072738231.db2.gz BKKNJWQTLIRWRY-HKOYGPOVSA-N 0 0 533.993 6.228 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409170966 1072742932 /nfs/dbraw/zinc/74/29/32/1072742932.db2.gz XOPYWCCHZRFKLB-DHRITJCHSA-N 0 0 718.966 6.840 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409170799 1072743325 /nfs/dbraw/zinc/74/33/25/1072743325.db2.gz XTLUJUWKERGDGW-ZVHZXABRSA-N 0 0 547.589 5.474 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409170497 1072744813 /nfs/dbraw/zinc/74/48/13/1072744813.db2.gz VZGRTNBMZBFJLM-SSDVNMTOSA-N 0 0 652.401 6.852 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409169691 1072749296 /nfs/dbraw/zinc/74/92/96/1072749296.db2.gz RASVHNLBMJPARX-KEBDBYFISA-N 0 0 576.370 5.623 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409169176 1072750739 /nfs/dbraw/zinc/75/07/39/1072750739.db2.gz PLZOSSHGBWZDPU-ZMOGYAJESA-N 0 0 565.629 5.579 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409168440 1072754817 /nfs/dbraw/zinc/75/48/17/1072754817.db2.gz RJSFUWHOPSSMDZ-RGVLZGJSSA-N 0 0 605.772 5.538 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409168379 1072755738 /nfs/dbraw/zinc/75/57/38/1072755738.db2.gz LYUPXOZYXKBOKC-UHFFFAOYSA-N 0 0 524.340 5.104 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409167911 1072758066 /nfs/dbraw/zinc/75/80/66/1072758066.db2.gz KFHKLWVDPCIGMF-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000409184341 1072777069 /nfs/dbraw/zinc/77/70/69/1072777069.db2.gz XOSZMXOJAMXEAT-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402163 1072777128 /nfs/dbraw/zinc/77/71/28/1072777128.db2.gz VTUNKZAJQMBMCM-WSVATBPTSA-N 0 0 625.215 5.716 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184260 1072778641 /nfs/dbraw/zinc/77/86/41/1072778641.db2.gz WNPSJNLDCUPWHK-MYKKPKGFSA-N 0 0 632.072 5.316 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409183048 1072786256 /nfs/dbraw/zinc/78/62/56/1072786256.db2.gz QNMNJVKFOYLMHU-AREMUKBSSA-N 0 0 546.513 5.117 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000409412485 1072788100 /nfs/dbraw/zinc/78/81/00/1072788100.db2.gz OSQOCEULYQSBNP-UHFFFAOYSA-N 0 0 554.426 5.658 40 5 KKBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409182503 1072790163 /nfs/dbraw/zinc/79/01/63/1072790163.db2.gz LTQPGFLAYARNQI-UHFFFAOYSA-N 0 0 591.359 6.534 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409412176 1072790673 /nfs/dbraw/zinc/79/06/73/1072790673.db2.gz SOTJFIWSARQOMI-UHFFFAOYSA-N 0 0 526.372 5.041 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409182372 1072791493 /nfs/dbraw/zinc/79/14/93/1072791493.db2.gz KLCUOWFRUZMNRW-LSFURLLWSA-N 0 0 670.847 7.805 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c(C)c1 ZINC000409182146 1072792054 /nfs/dbraw/zinc/79/20/54/1072792054.db2.gz IJXBUPFVBNMWKV-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409182213 1072792484 /nfs/dbraw/zinc/79/24/84/1072792484.db2.gz JJZMZLPMHGUACH-SANMLTNESA-N 0 0 608.912 6.849 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181980 1072793381 /nfs/dbraw/zinc/79/33/81/1072793381.db2.gz HHANYSFIESZHRQ-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409182116 1072793454 /nfs/dbraw/zinc/79/34/54/1072793454.db2.gz JAQQANBKRNLFLU-UHFFFAOYSA-N 0 0 534.502 5.485 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409181531 1072798368 /nfs/dbraw/zinc/79/83/68/1072798368.db2.gz CSXWSHAVQFJBRE-UHFFFAOYSA-N 0 0 512.518 6.070 40 5 KKBBRN O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409181349 1072798826 /nfs/dbraw/zinc/79/88/26/1072798826.db2.gz BCTDHZWSCRWWLZ-UHFFFAOYSA-N 0 0 522.863 6.521 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409181245 1072800184 /nfs/dbraw/zinc/80/01/84/1072800184.db2.gz ABZOLMRYQHKCCG-ZMOGYAJESA-N 0 0 601.559 6.652 40 5 KKBBRN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180595 1072803291 /nfs/dbraw/zinc/80/32/91/1072803291.db2.gz XRMGKRQVBSHKQZ-UHFFFAOYSA-N 0 0 511.515 5.257 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000409180633 1072803751 /nfs/dbraw/zinc/80/37/51/1072803751.db2.gz YHTMETWFMUVKOV-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180496 1072804371 /nfs/dbraw/zinc/80/43/71/1072804371.db2.gz YPQHSURLKCNUNE-AREMUKBSSA-N 0 0 535.961 5.862 40 5 KKBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180338 1072805401 /nfs/dbraw/zinc/80/54/01/1072805401.db2.gz QWLDNWAOLMTMJU-UHFFFAOYSA-N 0 0 563.733 5.369 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000409179796 1072807291 /nfs/dbraw/zinc/80/72/91/1072807291.db2.gz NRKTUCAHQDVLRO-UHFFFAOYSA-N 0 0 555.384 7.722 40 5 KKBBRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 ZINC000409179646 1072808209 /nfs/dbraw/zinc/80/82/09/1072808209.db2.gz SEURSGIKGHZGCR-UHFFFAOYSA-N 0 0 531.948 6.968 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409179762 1072809106 /nfs/dbraw/zinc/80/91/06/1072809106.db2.gz SFBPCOFRBXUFOQ-UHFFFAOYSA-N 0 0 621.385 6.543 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179417 1072809976 /nfs/dbraw/zinc/80/99/76/1072809976.db2.gz NCITZCXIRJLSFL-DYCDSJFESA-N 0 0 761.478 7.062 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179471 1072810339 /nfs/dbraw/zinc/81/03/39/1072810339.db2.gz OULLYEIJDLSMNY-UHFFFAOYSA-N 0 0 659.142 5.508 40 5 KKBBRN Cc1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409409565 1072810509 /nfs/dbraw/zinc/81/05/09/1072810509.db2.gz ICZHCLMHZRTEOT-UHFFFAOYSA-N 0 0 517.563 5.530 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409179135 1072812331 /nfs/dbraw/zinc/81/23/31/1072812331.db2.gz PZPAUYOSOUNVHT-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000409179157 1072812345 /nfs/dbraw/zinc/81/23/45/1072812345.db2.gz QBVKMPBFNKJKJN-NDEPHWFRSA-N 0 0 584.968 6.147 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409179045 1072813623 /nfs/dbraw/zinc/81/36/23/1072813623.db2.gz MQOASEUJWDBDNP-RUZDIDTESA-N 0 0 532.892 6.730 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409178640 1072814593 /nfs/dbraw/zinc/81/45/93/1072814593.db2.gz LTPBRDFHZDJCQH-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000409178705 1072815176 /nfs/dbraw/zinc/81/51/76/1072815176.db2.gz HRIYQKHVJUDRMS-PGUFJCEWSA-N 0 0 570.645 8.639 40 5 KKBBRN Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409178604 1072816067 /nfs/dbraw/zinc/81/60/67/1072816067.db2.gz MFFJCFXGIFBTHO-UHFFFAOYSA-N 0 0 553.483 5.761 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000409178520 1072816190 /nfs/dbraw/zinc/81/61/90/1072816190.db2.gz KQCIHIZXJYQXFV-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409178053 1072818793 /nfs/dbraw/zinc/81/87/93/1072818793.db2.gz GBIDSMGTYQSNCM-UHFFFAOYSA-N 0 0 520.881 7.098 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1Cl ZINC000409177926 1072819184 /nfs/dbraw/zinc/81/91/84/1072819184.db2.gz HDXOQUBXQNYHCO-UHFFFAOYSA-N 0 0 542.931 6.507 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177916 1072819371 /nfs/dbraw/zinc/81/93/71/1072819371.db2.gz DTGASBZCOAEXGZ-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Cl)cc2)cc1 ZINC000409177825 1072820965 /nfs/dbraw/zinc/82/09/65/1072820965.db2.gz HTYQAKHQOQARSI-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C ZINC000409177686 1072821415 /nfs/dbraw/zinc/82/14/15/1072821415.db2.gz CBPITTWSCYMTLI-NDEPHWFRSA-N 0 0 534.524 5.793 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000409177730 1072821460 /nfs/dbraw/zinc/82/14/60/1072821460.db2.gz IFFYJXYSFWRINC-AREMUKBSSA-N 0 0 506.470 5.176 40 5 KKBBRN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177441 1072823745 /nfs/dbraw/zinc/82/37/45/1072823745.db2.gz DYPBKXZRLZAZGG-UHFFFAOYSA-N 0 0 508.490 5.220 40 5 KKBBRN COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409192345 1072825185 /nfs/dbraw/zinc/82/51/85/1072825185.db2.gz BCJKHKXSJFMJLB-BMHAZCCXSA-N 0 0 628.229 6.092 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409192399 1072825787 /nfs/dbraw/zinc/82/57/87/1072825787.db2.gz CHQSHDLXXRKANV-LNXFQTKESA-N 0 0 728.039 6.603 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409197183 1072826321 /nfs/dbraw/zinc/82/63/21/1072826321.db2.gz XWSSDLKWKBAAEA-LPXFMOJISA-N 0 0 506.989 5.777 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196897 1072828040 /nfs/dbraw/zinc/82/80/40/1072828040.db2.gz RXNNRCSFJFSYIZ-JVWAILMASA-N 0 0 667.538 5.330 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409196745 1072828947 /nfs/dbraw/zinc/82/89/47/1072828947.db2.gz WZTZQAXWHVGIHH-OVVQPSECSA-N 0 0 523.614 5.505 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409196310 1072831818 /nfs/dbraw/zinc/83/18/18/1072831818.db2.gz VTYWRYCPGKTJTL-HYARGMPZSA-N 0 0 521.507 5.583 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409194942 1072840457 /nfs/dbraw/zinc/84/04/57/1072840457.db2.gz RELXYTUZEZNECT-JAYSWQADSA-N 0 0 693.594 5.950 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409194713 1072841164 /nfs/dbraw/zinc/84/11/64/1072841164.db2.gz QROXUCXDYJUSNF-QGMBQPNBSA-N 0 0 616.174 5.412 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409194429 1072843254 /nfs/dbraw/zinc/84/32/54/1072843254.db2.gz LHNXTOSQUNDLFZ-FHQMNNMHSA-N 0 0 751.674 6.738 40 5 KKBBRN Cc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409193648 1072849637 /nfs/dbraw/zinc/84/96/37/1072849637.db2.gz KSXUGNFGWRSZMD-HFAHNTRXSA-N 0 0 533.334 5.629 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409193172 1072851546 /nfs/dbraw/zinc/85/15/46/1072851546.db2.gz DLZAJKXFJYNZTD-ALUWMOPFSA-N 0 0 737.647 6.347 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409192816 1072853165 /nfs/dbraw/zinc/85/31/65/1072853165.db2.gz BVLUZIKFRWTKQN-NHDPSOOVSA-N 0 0 506.898 5.519 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409192576 1072855284 /nfs/dbraw/zinc/85/52/84/1072855284.db2.gz CJZAJZQZIDZRMB-NULZLWRNSA-N 0 0 796.125 6.561 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409192333 1072856668 /nfs/dbraw/zinc/85/66/68/1072856668.db2.gz AYGGQWQOKRUXHN-IEPMXLQJSA-N 0 0 539.327 5.874 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409192319 1072856876 /nfs/dbraw/zinc/85/68/76/1072856876.db2.gz WJPVABQOFFMSDR-VEOKEAFVSA-N 0 0 800.750 7.417 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191907 1072858243 /nfs/dbraw/zinc/85/82/43/1072858243.db2.gz QBQRXQCOWZQRCJ-GEYGMGCISA-N 0 0 782.735 8.149 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409191723 1072861223 /nfs/dbraw/zinc/86/12/23/1072861223.db2.gz LODDBNYSQCLFIR-KCQXITDRSA-N 0 0 802.516 6.721 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409191724 1072861343 /nfs/dbraw/zinc/86/13/43/1072861343.db2.gz LODDBNYSQCLFIR-LRAMOIDDSA-N 0 0 802.516 6.721 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409191740 1072861391 /nfs/dbraw/zinc/86/13/91/1072861391.db2.gz MBZTWHDKRSTSPA-ZWTBYVTRSA-N 0 0 723.620 5.958 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409190899 1072865628 /nfs/dbraw/zinc/86/56/28/1072865628.db2.gz AXPZKCNELOBREU-SRZZPIQSSA-N 0 0 527.898 6.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409190833 1072867614 /nfs/dbraw/zinc/86/76/14/1072867614.db2.gz REIAGHYCIJUKAF-JLHDDXNDSA-N 0 0 747.255 5.807 40 5 KKBBRN COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409190461 1072868971 /nfs/dbraw/zinc/86/89/71/1072868971.db2.gz NZXGPYPBSJKHPG-JEUHMODBSA-N 0 0 628.229 6.092 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409190435 1072871038 /nfs/dbraw/zinc/87/10/38/1072871038.db2.gz NFIDKKLEBZDHKY-VCLSCOGJSA-N 0 0 813.745 7.874 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409189550 1072876765 /nfs/dbraw/zinc/87/67/65/1072876765.db2.gz QIITYUMCPOUQDF-FJNIOPPGSA-N 0 0 765.701 6.840 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409189396 1072877435 /nfs/dbraw/zinc/87/74/35/1072877435.db2.gz GDTYHEAAARIYBS-XGLZOBASSA-N 0 0 739.688 6.672 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409189002 1072878312 /nfs/dbraw/zinc/87/83/12/1072878312.db2.gz MLUMAXXLFCZOPF-ZTJAMKNHSA-N 0 0 509.301 5.865 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409189240 1072878365 /nfs/dbraw/zinc/87/83/65/1072878365.db2.gz NNTHQJOAXMAAHA-VUPMOJOHSA-N 0 0 533.334 5.629 40 5 KKBBRN COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000409189261 1072878418 /nfs/dbraw/zinc/87/84/18/1072878418.db2.gz OCVOKBFBADDWFB-JAIQZWGSSA-N 0 0 602.191 5.692 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409189105 1072879430 /nfs/dbraw/zinc/87/94/30/1072879430.db2.gz CSWMFVQMXMMTOH-HBMWKUFKSA-N 0 0 779.300 6.935 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409188708 1072881156 /nfs/dbraw/zinc/88/11/56/1072881156.db2.gz KHUBVXCQZRAZRB-OTHIGLTOSA-N 0 0 858.196 7.698 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409188656 1072882178 /nfs/dbraw/zinc/88/21/78/1072882178.db2.gz JFZKUHLWLIBTQA-ORAUUZGKSA-N 0 0 588.197 6.627 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188346 1072883182 /nfs/dbraw/zinc/88/31/82/1072883182.db2.gz GXLYCFUZVBHWLJ-PLMBTIQCSA-N 0 0 775.099 7.679 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409187755 1072885716 /nfs/dbraw/zinc/88/57/16/1072885716.db2.gz BNJZIFCOMFLURZ-LMBBUSAASA-N 0 0 764.289 6.874 40 5 KKBBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409187788 1072885898 /nfs/dbraw/zinc/88/58/98/1072885898.db2.gz CIPVUZFQZJGIEZ-UWRMONIRSA-N 0 0 772.092 7.000 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409207215 1072887384 /nfs/dbraw/zinc/88/73/84/1072887384.db2.gz TYVBWMITASLEKB-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409206770 1072890349 /nfs/dbraw/zinc/89/03/49/1072890349.db2.gz XONVQWWCJHEGAE-RMORIDSASA-N 0 0 696.941 5.770 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409205350 1072898090 /nfs/dbraw/zinc/89/80/90/1072898090.db2.gz PWQKPIYJLXIIJN-WPWMEQJKSA-N 0 0 656.639 6.190 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409204403 1072905156 /nfs/dbraw/zinc/90/51/56/1072905156.db2.gz GTDWWEXIWCEBIP-SRZZPIQSSA-N 0 0 586.376 5.064 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409200137 1072923248 /nfs/dbraw/zinc/92/32/48/1072923248.db2.gz QOFDVELAJAMYKS-ZMOGYAJESA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000409198966 1072926943 /nfs/dbraw/zinc/92/69/43/1072926943.db2.gz MSYQOTZJRSPRMU-ODLFYWEKSA-N 0 0 512.341 5.186 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409198897 1072927975 /nfs/dbraw/zinc/92/79/75/1072927975.db2.gz MJOALSOSGNCNDV-WYMPLXKRSA-N 0 0 646.903 6.663 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198560 1072929581 /nfs/dbraw/zinc/92/95/81/1072929581.db2.gz HVEWYSBMGCAYDM-UUYOSTAYSA-N 0 0 566.617 5.578 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409198175 1072932377 /nfs/dbraw/zinc/93/23/77/1072932377.db2.gz ZBJBOTRCTGBTLP-ZMFRSBBQSA-N 0 0 570.583 5.044 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409197754 1072933291 /nfs/dbraw/zinc/93/32/91/1072933291.db2.gz OCBMZMXAXLWTBV-ZVBGSRNCSA-N 0 0 633.820 6.386 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409197871 1072933771 /nfs/dbraw/zinc/93/37/71/1072933771.db2.gz QPLCNEXPRAXATH-DJKKODMXSA-N 0 0 597.230 6.599 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207531 1072941365 /nfs/dbraw/zinc/94/13/65/1072941365.db2.gz WBXQQVXLMRAYQL-XKZIYDEJSA-N 0 0 534.550 5.164 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409215160 1072950627 /nfs/dbraw/zinc/95/06/27/1072950627.db2.gz XOFXPEOVVHLYIT-SRZZPIQSSA-N 0 0 531.373 6.730 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409212219 1072959427 /nfs/dbraw/zinc/95/94/27/1072959427.db2.gz OSURRKLFTMZYLQ-KEBDBYFISA-N 0 0 535.792 7.375 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409209632 1072967617 /nfs/dbraw/zinc/96/76/17/1072967617.db2.gz GYRQOSQCTZDRCS-KEBDBYFISA-N 0 0 580.243 7.484 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409222590 1072991747 /nfs/dbraw/zinc/99/17/47/1072991747.db2.gz CDQYYKRDXGRXEC-UFFVCSGVSA-N 0 0 665.291 6.513 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222296 1072993874 /nfs/dbraw/zinc/99/38/74/1072993874.db2.gz BQWQCACWRBRRCR-ZVBGSRNCSA-N 0 0 572.914 5.763 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409222172 1072994507 /nfs/dbraw/zinc/99/45/07/1072994507.db2.gz BZQYXDSVKBIOHF-FOKLQQMPSA-N 0 0 571.970 5.650 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)Nc1ccccc1Cl ZINC000409222007 1072994953 /nfs/dbraw/zinc/99/49/53/1072994953.db2.gz AULZLXDVQBAXDA-FBCYGCLPSA-N 0 0 552.779 6.490 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409221622 1072998176 /nfs/dbraw/zinc/99/81/76/1072998176.db2.gz TYSCTPYWLIVAOB-FSJBWODESA-N 0 0 566.408 5.736 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409219587 1073007658 /nfs/dbraw/zinc/00/76/58/1073007658.db2.gz OKALEILGQSKSTO-UUYOSTAYSA-N 0 0 589.876 7.081 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409218078 1073013552 /nfs/dbraw/zinc/01/35/52/1073013552.db2.gz HBWLZNCRGWCYLX-ZVBGSRNCSA-N 0 0 602.940 5.771 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409229141 1073022318 /nfs/dbraw/zinc/02/23/18/1073022318.db2.gz KGDPVLBSLFTAGG-YDZHTSKRSA-N 0 0 752.303 5.477 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409237179 1073032415 /nfs/dbraw/zinc/03/24/15/1073032415.db2.gz HZSCZSTYPUANIE-RGVLZGJSSA-N 0 0 558.772 5.696 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409236902 1073034564 /nfs/dbraw/zinc/03/45/64/1073034564.db2.gz HWYRBABBDDRARV-CIAFOILYSA-N 0 0 615.824 5.130 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409236334 1073038694 /nfs/dbraw/zinc/03/86/94/1073038694.db2.gz DZUYXVMYCGKJTG-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409233715 1073053879 /nfs/dbraw/zinc/05/38/79/1073053879.db2.gz HMHBLPGHXIIWTR-YDZHTSKRSA-N 0 0 566.408 5.736 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409233281 1073056349 /nfs/dbraw/zinc/05/63/49/1073056349.db2.gz UOXWMVGBYKAOEI-SSDVNMTOSA-N 0 0 552.381 5.346 40 5 KKBBRN O=C1NC(=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409230419 1073070700 /nfs/dbraw/zinc/07/07/00/1073070700.db2.gz CZEQJJTZDIUVKI-RGVLZGJSSA-N 0 0 701.642 6.134 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409243196 1073093672 /nfs/dbraw/zinc/09/36/72/1073093672.db2.gz QFOTZFUQSQPEOI-FSJBWODESA-N 0 0 585.997 6.040 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409242762 1073095612 /nfs/dbraw/zinc/09/56/12/1073095612.db2.gz SXZADQWHNXWESZ-UFFVCSGVSA-N 0 0 665.291 6.513 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000409239904 1073111955 /nfs/dbraw/zinc/11/19/55/1073111955.db2.gz ODKWZTHOIJMFQK-WSDLNYQXSA-N 0 0 695.251 5.784 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409238794 1073117399 /nfs/dbraw/zinc/11/73/99/1073117399.db2.gz BNSFFYOHBCLLTC-WSDLNYQXSA-N 0 0 588.425 6.164 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409238207 1073120795 /nfs/dbraw/zinc/12/07/95/1073120795.db2.gz WFJYWMFBAXYASO-WSDLNYQXSA-N 0 0 507.930 5.237 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1Cl ZINC000409238407 1073120921 /nfs/dbraw/zinc/12/09/21/1073120921.db2.gz ZOGWUMHBMRQFQP-SRZZPIQSSA-N 0 0 681.746 7.027 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1Cl ZINC000409237877 1073124893 /nfs/dbraw/zinc/12/48/93/1073124893.db2.gz XREBEYVPYATCKH-ZMOGYAJESA-N 0 0 546.992 5.926 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409250092 1073138050 /nfs/dbraw/zinc/13/80/50/1073138050.db2.gz WAABRZGFQXWDHA-YDZHTSKRSA-N 0 0 658.303 5.793 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409255104 1073169170 /nfs/dbraw/zinc/16/91/70/1073169170.db2.gz XYCOWILYHZXCLL-WSDLNYQXSA-N 0 0 677.327 6.382 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409254804 1073170963 /nfs/dbraw/zinc/17/09/63/1073170963.db2.gz ITQMURMSCPGHTB-MZJWZYIUSA-N 0 0 648.491 6.773 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409253705 1073178559 /nfs/dbraw/zinc/17/85/59/1073178559.db2.gz BUWZYKZYZIUKCE-VULFUBBASA-N 0 0 627.597 6.426 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409252942 1073183467 /nfs/dbraw/zinc/18/34/67/1073183467.db2.gz YGUBIEYOPQZKAB-LICLKQGHSA-N 0 0 556.232 6.145 40 5 KKBBRN COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 ZINC000409252364 1073187053 /nfs/dbraw/zinc/18/70/53/1073187053.db2.gz SCUMKCZQPCAOOA-CFRMEGHHSA-N 0 0 577.571 5.166 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409252025 1073190403 /nfs/dbraw/zinc/19/04/03/1073190403.db2.gz RIMKBLYCCICTPO-OEAKJJBVSA-N 0 0 665.506 5.472 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409251770 1073190539 /nfs/dbraw/zinc/19/05/39/1073190539.db2.gz WCAWAVYDXDGFJI-WYMPLXKRSA-N 0 0 646.903 6.663 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409251762 1073192710 /nfs/dbraw/zinc/19/27/10/1073192710.db2.gz QNYKMWLQLHWGRS-BHGWPJFGSA-N 0 0 660.886 5.956 40 5 KKBBRN CC(O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12 ZINC001560411651 1073196118 /nfs/dbraw/zinc/19/61/18/1073196118.db2.gz FSRDRRQXLQVILL-ZYKLXPEUSA-N 0 0 593.505 5.533 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409267156 1073196630 /nfs/dbraw/zinc/19/66/30/1073196630.db2.gz SZHSXPLMDIAQGM-ZVHZXABRSA-N 0 0 689.484 5.861 40 5 KKBBRN O=C(OCC(Br)(COC(=O)c1cccc(C(F)(F)F)c1)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000002555999 1073200080 /nfs/dbraw/zinc/20/00/80/1073200080.db2.gz ADQBBRZJAOFRRJ-UHFFFAOYSA-N 0 0 544.198 5.106 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2ccccc12 ZINC000409265073 1073207858 /nfs/dbraw/zinc/20/78/58/1073207858.db2.gz MMFBWHAQVJTUIY-UHFFFAOYSA-N 0 0 585.130 7.247 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409263690 1073217103 /nfs/dbraw/zinc/21/71/03/1073217103.db2.gz NRYWCVLHADISLB-JJFYIABZSA-N 0 0 676.401 5.584 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409263167 1073218789 /nfs/dbraw/zinc/21/87/89/1073218789.db2.gz HTCOMLLURQHDRQ-UHFFFAOYSA-N 0 0 563.657 5.897 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409260294 1073234625 /nfs/dbraw/zinc/23/46/25/1073234625.db2.gz OELVOXYJBGEVPR-LSHDLFTRSA-N 0 0 607.950 6.743 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 ZINC000409258363 1073245465 /nfs/dbraw/zinc/24/54/65/1073245465.db2.gz SYQMDGIDIOPVNT-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409271557 1073262673 /nfs/dbraw/zinc/26/26/73/1073262673.db2.gz KBLVUMTWKAWWEK-FMCGGJTJSA-N 0 0 537.981 5.811 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409271352 1073263755 /nfs/dbraw/zinc/26/37/55/1073263755.db2.gz BSIAOPNDEJBZNG-FOKLQQMPSA-N 0 0 592.935 6.987 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 ZINC000409271074 1073265522 /nfs/dbraw/zinc/26/55/22/1073265522.db2.gz ISUXVMNYKZRQAL-UUYOSTAYSA-N 0 0 545.425 6.972 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409270597 1073270074 /nfs/dbraw/zinc/27/00/74/1073270074.db2.gz RBDXRYDACBHHSR-NHDPSOOVSA-N 0 0 554.968 5.428 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409269554 1073276785 /nfs/dbraw/zinc/27/67/85/1073276785.db2.gz CPKMFPUZKDVNPH-CYGYJLBOSA-N 0 0 643.165 5.734 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409269383 1073277551 /nfs/dbraw/zinc/27/75/51/1073277551.db2.gz ILNZZMQCNOAAOX-ZVBGSRNCSA-N 0 0 586.485 5.257 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409269402 1073277559 /nfs/dbraw/zinc/27/75/59/1073277559.db2.gz IUUVSFWRSMXTEN-FBHDLOMBSA-N 0 0 556.503 5.134 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 ZINC000409269249 1073279463 /nfs/dbraw/zinc/27/94/63/1073279463.db2.gz AEHSLUQHSCNBTO-SSDVNMTOSA-N 0 0 539.909 5.868 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409275866 1073295331 /nfs/dbraw/zinc/29/53/31/1073295331.db2.gz MFRXJIUAOVAFSH-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409275481 1073299501 /nfs/dbraw/zinc/29/95/01/1073299501.db2.gz VEFMNMWJLOOSDR-JVWAILMASA-N 0 0 569.595 6.011 40 5 KKBBRN O=C1S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409274725 1073307108 /nfs/dbraw/zinc/30/71/08/1073307108.db2.gz XBNYJYOVESFQJX-SRZZPIQSSA-N 0 0 536.928 6.359 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc21 ZINC000409274553 1073308634 /nfs/dbraw/zinc/30/86/34/1073308634.db2.gz PMOCVWMINGYSRZ-BUVRLJJBSA-N 0 0 512.547 5.273 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409274322 1073310768 /nfs/dbraw/zinc/31/07/68/1073310768.db2.gz VUUPCWMDAPWHEE-LSHDLFTRSA-N 0 0 591.951 7.043 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274273 1073311599 /nfs/dbraw/zinc/31/15/99/1073311599.db2.gz OIBZRQWKWKSPDQ-CXABMRDKSA-N 0 0 616.784 5.846 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc2ccccc21 ZINC000409274037 1073313887 /nfs/dbraw/zinc/31/38/87/1073313887.db2.gz UEJHOLCETYNISX-NTFVMDSBSA-N 0 0 562.607 6.426 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409273886 1073315849 /nfs/dbraw/zinc/31/58/49/1073315849.db2.gz MPBJTAMORKYSAO-YSMPRRRNSA-N 0 0 532.574 5.800 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409273474 1073319481 /nfs/dbraw/zinc/31/94/81/1073319481.db2.gz RAKWTSCKZXPBFM-AFUMVMLFSA-N 0 0 552.992 6.145 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)cc1[N+](=O)[O-] ZINC000409273467 1073319507 /nfs/dbraw/zinc/31/95/07/1073319507.db2.gz QZXTUNYGZYQELG-ZVHZXABRSA-N 0 0 513.531 5.991 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000409273426 1073320230 /nfs/dbraw/zinc/32/02/30/1073320230.db2.gz QTZXFHZISNJPJA-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN CCCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409276466 1073329308 /nfs/dbraw/zinc/32/93/08/1073329308.db2.gz RNUYSNCLYJZBBS-NDENLUEZSA-N 0 0 596.399 5.306 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000409275652 1073333316 /nfs/dbraw/zinc/33/33/16/1073333316.db2.gz LAAWVKSFDVMXPU-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN CC1(C)C[C@@H](n2c(=O)c3c(nc2SCc2ccc([N+](=O)[O-])cc2)-c2ccccc2CC32CCCC2)CCO1 ZINC000006232547 193873530 /nfs/dbraw/zinc/87/35/30/193873530.db2.gz LUWBBJRYDMGEHZ-QHCPKHFHSA-N 0 0 531.678 6.609 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000100368441 193904470 /nfs/dbraw/zinc/90/44/70/193904470.db2.gz RLTXPEUMABIRFW-NHDPSOOVSA-N 0 0 551.860 7.943 40 5 KKBBRN COc1cc([C@@H]2NN=C(c3ccccc3)S2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000059409191 193896731 /nfs/dbraw/zinc/89/67/31/193896731.db2.gz OKPXTTNBSYECHK-JOCHJYFZSA-N 0 0 500.374 5.642 40 5 KKBBRN O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)N1CCCC1 ZINC000059446814 193899440 /nfs/dbraw/zinc/89/94/40/193899440.db2.gz XJJCDCYYNLYKRP-UHFFFAOYSA-N 0 0 518.620 5.985 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 ZINC000224507194 193952185 /nfs/dbraw/zinc/95/21/85/193952185.db2.gz VUAJIIRKHUROQR-GOTSBHOMSA-N 0 0 520.412 5.720 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 ZINC000224517038 193957526 /nfs/dbraw/zinc/95/75/26/193957526.db2.gz RIVKPMNFSGWKSG-XZOQPEGZSA-N 0 0 521.396 6.189 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408851318 195490134 /nfs/dbraw/zinc/49/01/34/195490134.db2.gz BIIIMSFXSLZJPR-QQMBNGEASA-N 0 0 643.718 5.081 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409231500 195507163 /nfs/dbraw/zinc/50/71/63/195507163.db2.gz JLAMQBGCVQLMBO-WOJGMQOQSA-N 0 0 586.258 5.772 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C=C(\C)CCC=C(C)C ZINC000032787694 336463630 /nfs/dbraw/zinc/46/36/30/336463630.db2.gz OAIJSZIZWZSQBC-XGASXDSASA-N 0 0 536.888 12.938 40 5 KKBBRN Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 ZINC000000781471 551542394 /nfs/dbraw/zinc/54/23/94/551542394.db2.gz VCGWBZDFKPUNAT-LJQANCHMSA-N 0 0 503.584 5.491 40 5 KKBBRN Cc1cc(I)ccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000000827823 551545513 /nfs/dbraw/zinc/54/55/13/551545513.db2.gz FAJKHOSUXAGNIQ-UHFFFAOYSA-N 0 0 500.248 5.101 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000001316513 551640666 /nfs/dbraw/zinc/64/06/66/551640666.db2.gz VOSIDTGGCYSXFF-ACRUOGEOSA-N 0 0 518.740 5.606 40 5 KKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000001637320 551687303 /nfs/dbraw/zinc/68/73/03/551687303.db2.gz QTXFJJFLADPMOP-UFFVCSGVSA-N 0 0 589.309 7.417 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000001847907 551714900 /nfs/dbraw/zinc/71/49/00/551714900.db2.gz HIZHQHZFMUEXBW-HNNXBMFYSA-N 0 0 553.040 7.095 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000002762288 552182987 /nfs/dbraw/zinc/18/29/87/552182987.db2.gz LGOKTUHHZXEQHX-UHFFFAOYSA-N 0 0 552.970 7.604 40 5 KKBBRN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000002798675 552193178 /nfs/dbraw/zinc/19/31/78/552193178.db2.gz DGELHPRLDKQPJD-UHFFFAOYSA-N 0 0 538.451 5.804 40 5 KKBBRN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3o2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003064729 552284443 /nfs/dbraw/zinc/28/44/43/552284443.db2.gz QZQKPDOAGFQJDY-UHFFFAOYSA-N 0 0 523.461 5.816 40 5 KKBBRN O=c1c2ccc3c4ccc5c(=O)c6cc(Br)ccc6c6ccc(c7ccc(c8ccc(Br)cc18)c2c37)c4c56 ZINC000004410898 552459592 /nfs/dbraw/zinc/45/95/92/552459592.db2.gz YAWQJGMFKCTSSJ-UHFFFAOYSA-N 0 0 614.292 9.471 40 5 KKBBRN C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OCC)c(CCC(=O)OCC)c4C)c(C)c3C=C ZINC000004537479 552464359 /nfs/dbraw/zinc/46/43/59/552464359.db2.gz QRXCORFEAMPVBV-UHFFFAOYSA-N 0 0 618.778 8.381 40 5 KKBBRN COC(=O)CCc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5C)c(Br)c4C)c(Br)c3C ZINC000004683972 552471730 /nfs/dbraw/zinc/47/17/30/552471730.db2.gz NGRWTUMMHAFCQY-UHFFFAOYSA-N 0 0 696.440 7.840 40 5 KKBBRN Clc1ccc2c(c1)[C@@H](Nc1cc3c4ccccc4ccc3c3ccccc13)c1cc(Cl)cc(Cl)c1-2 ZINC000004983068 552491158 /nfs/dbraw/zinc/49/11/58/552491158.db2.gz RGEXGINTPUOQGU-WJOKGBTCSA-N 0 0 510.851 10.288 40 5 KKBBRN COc1ccc(CCN2C(=O)c3cccc4c(Sc5ccccc5[N+](=O)[O-])ccc(c43)C2=O)cc1OC ZINC000005328202 552497128 /nfs/dbraw/zinc/49/71/28/552497128.db2.gz NTVWEUHJLNWANZ-UHFFFAOYSA-N 0 0 514.559 5.755 40 5 KKBBRN CCC(CC)(C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000005545228 552504946 /nfs/dbraw/zinc/50/49/46/552504946.db2.gz QWYNMGVUQLLCRD-UHFFFAOYSA-N 0 0 544.611 6.060 40 5 KKBBRN CCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c32)cc1OC ZINC000006090202 552533932 /nfs/dbraw/zinc/53/39/32/552533932.db2.gz CDJIEOMWGGVJLT-UHFFFAOYSA-N 0 0 540.601 6.780 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000006136379 552541691 /nfs/dbraw/zinc/54/16/91/552541691.db2.gz LEVWEQHDUZIROA-UHFFFAOYSA-N 0 0 509.975 5.159 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 ZINC000006280745 552576693 /nfs/dbraw/zinc/57/66/93/552576693.db2.gz CXBHTXIRHYEPIH-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000006280769 552576746 /nfs/dbraw/zinc/57/67/46/552576746.db2.gz UJJXYROMLMMPJE-UHFFFAOYSA-N 0 0 564.627 6.134 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000006280781 552576748 /nfs/dbraw/zinc/57/67/48/552576748.db2.gz MEMVXPSLKAFHQK-QGZVFWFLSA-N 0 0 556.570 6.234 40 5 KKBBRN O=C(Nc1ccc(-c2nc3c(ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3Cl)[nH]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000006445464 552587902 /nfs/dbraw/zinc/58/79/02/552587902.db2.gz UUQAKYHVMBGATG-UHFFFAOYSA-N 0 0 591.367 6.858 40 5 KKBBRN CCCCN(CCCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC)CCC)cc1[N+](=O)[O-])C2=O ZINC000006472345 552591971 /nfs/dbraw/zinc/59/19/71/552591971.db2.gz CWYJLQNQBCCEHU-UHFFFAOYSA-N 0 0 624.738 5.116 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000006474591 552592809 /nfs/dbraw/zinc/59/28/09/552592809.db2.gz BXLUPPVLWYHKEK-UHFFFAOYSA-N 0 0 507.575 6.300 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@@H](O)N2[C@@H]1c1ccc(Cl)cc1 ZINC000006544921 552598054 /nfs/dbraw/zinc/59/80/54/552598054.db2.gz GQXFPRLTTCKRAU-YODYTTBMSA-N 0 0 586.453 6.818 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000008739523 553131316 /nfs/dbraw/zinc/13/13/16/553131316.db2.gz VAMMHMBTLSBKCE-FNHUQLNKSA-N 0 0 507.652 8.152 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1[N+](=O)[O-] ZINC000008832766 553158338 /nfs/dbraw/zinc/15/83/38/553158338.db2.gz KVKQBQSCTMHDHR-UHFFFAOYSA-N 0 0 503.536 5.202 40 5 KKBBRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008832761 553158360 /nfs/dbraw/zinc/15/83/60/553158360.db2.gz FQZBPVZREMPSQI-UHFFFAOYSA-N 0 0 504.568 5.340 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(-c2nc3ccccc3o2)c1O ZINC000008835166 553161420 /nfs/dbraw/zinc/16/14/20/553161420.db2.gz HESHDMBIHQCQGI-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000008835289 553161787 /nfs/dbraw/zinc/16/17/87/553161787.db2.gz MRBQEFMCMNIAJQ-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008835257 553161791 /nfs/dbraw/zinc/16/17/91/553161791.db2.gz XYZHEDASQFLUIV-UHFFFAOYSA-N 0 0 503.609 5.599 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000008835464 553162138 /nfs/dbraw/zinc/16/21/38/553162138.db2.gz XVQUFNMZMFOOMF-UHFFFAOYSA-N 0 0 508.559 6.505 40 5 KKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000008835718 553162655 /nfs/dbraw/zinc/16/26/55/553162655.db2.gz UANWXMQFMKVDNE-UHFFFAOYSA-N 0 0 504.012 5.104 40 5 KKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008898683 553180363 /nfs/dbraw/zinc/18/03/63/553180363.db2.gz WLFFDGKLDCMFDN-FNORWQNLSA-N 0 0 506.773 6.177 40 5 KKBBRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000008899328 553180595 /nfs/dbraw/zinc/18/05/95/553180595.db2.gz KVHGEELQYBEFRH-UHFFFAOYSA-N 0 0 506.946 5.762 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008900158 553181393 /nfs/dbraw/zinc/18/13/93/553181393.db2.gz QIYFVTVTSIMPDI-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008900736 553181583 /nfs/dbraw/zinc/18/15/83/553181583.db2.gz JHDMUQCIZLGQRO-UHFFFAOYSA-N 0 0 505.234 5.071 40 5 KKBBRN CCOC(=O)C(C(=O)OCC)=C(SCc1ccc([N+](=O)[O-])cc1)SCc1ccc([N+](=O)[O-])cc1 ZINC000008955380 553194518 /nfs/dbraw/zinc/19/45/18/553194518.db2.gz VGOZXKSYUKDCAG-UHFFFAOYSA-N 0 0 506.558 5.007 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F ZINC000009232490 553223637 /nfs/dbraw/zinc/22/36/37/553223637.db2.gz KOJQTCVPJBQGNI-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN O=C(c1ccccc1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000009313378 553241123 /nfs/dbraw/zinc/24/11/23/553241123.db2.gz NMHDINZUWSXCHF-KJHMZRPRSA-N 0 0 500.554 6.345 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000009345862 553244249 /nfs/dbraw/zinc/24/42/49/553244249.db2.gz NOMWOLSPSJFZEY-SMIHKQSGSA-N 0 0 507.930 5.088 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000009428322 553260392 /nfs/dbraw/zinc/26/03/92/553260392.db2.gz FYJZSTHYPIYGTO-ZNZIZOMTSA-N 0 0 511.559 5.370 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1Cc1ccccc1 ZINC000009428324 553260416 /nfs/dbraw/zinc/26/04/16/553260416.db2.gz FYJZSTHYPIYGTO-CYXNTTPDSA-N 0 0 511.559 5.370 40 5 KKBBRN CC(C)(C)c1cc(C(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1 ZINC000010000594 553325175 /nfs/dbraw/zinc/32/51/75/553325175.db2.gz PINBAQUVPXRFAS-UHFFFAOYSA-N 0 0 518.610 6.455 40 5 KKBBRN CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1 ZINC000010040885 553326635 /nfs/dbraw/zinc/32/66/35/553326635.db2.gz KBJGSNAWCOOHLA-UHFFFAOYSA-N 0 0 518.610 6.455 40 5 KKBBRN O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011990745 553349986 /nfs/dbraw/zinc/34/99/86/553349986.db2.gz QOGOWCLXSZOUGF-IEZHZQBZSA-N 0 0 501.029 6.229 40 5 KKBBRN O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000012487920 553378664 /nfs/dbraw/zinc/37/86/64/553378664.db2.gz BTYPNJOYGXIURY-UHFFFAOYSA-N 0 0 513.348 5.837 40 5 KKBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000012546356 553391392 /nfs/dbraw/zinc/39/13/92/553391392.db2.gz FZXVXSHYLHIXTC-KHYOSLBOSA-N 0 0 506.550 5.986 40 5 KKBBRN CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000013659835 553480680 /nfs/dbraw/zinc/48/06/80/553480680.db2.gz WNUSWKUQRMNRRP-QKDODKLFSA-N 0 0 515.566 5.605 40 5 KKBBRN O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000014153211 553502968 /nfs/dbraw/zinc/50/29/68/553502968.db2.gz RVEWTSYRAMTPFX-UHFFFAOYSA-N 0 0 503.536 5.221 40 5 KKBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014274725 553507754 /nfs/dbraw/zinc/50/77/54/553507754.db2.gz KCOUJDWRSQCUST-UHFFFAOYSA-N 0 0 515.595 5.692 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274760 553507763 /nfs/dbraw/zinc/50/77/63/553507763.db2.gz SRHVXTBSLXTAJN-UHFFFAOYSA-N 0 0 505.531 5.269 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274772 553507800 /nfs/dbraw/zinc/50/78/00/553507800.db2.gz FWDAMASFZVPHNH-UHFFFAOYSA-N 0 0 503.609 5.599 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)oc2c1 ZINC000014275135 553508066 /nfs/dbraw/zinc/50/80/66/553508066.db2.gz WMQHPOJXYOYRMQ-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014275375 553508295 /nfs/dbraw/zinc/50/82/95/553508295.db2.gz UQUCKBSMENTTDD-UHFFFAOYSA-N 0 0 514.588 6.567 40 5 KKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 ZINC000014275569 553508610 /nfs/dbraw/zinc/50/86/10/553508610.db2.gz GVRJWYPDBZCQRH-UHFFFAOYSA-N 0 0 512.547 6.407 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000014275905 553508963 /nfs/dbraw/zinc/50/89/63/553508963.db2.gz MVWNRYLQYWNHGJ-UHFFFAOYSA-N 0 0 508.991 5.452 40 5 KKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014277601 553510273 /nfs/dbraw/zinc/51/02/73/553510273.db2.gz CVPVDWIGRZAMHJ-UHFFFAOYSA-N 0 0 510.358 7.691 40 5 KKBBRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278088 553510628 /nfs/dbraw/zinc/51/06/28/553510628.db2.gz BMTDKIQKTXEGPK-UHFFFAOYSA-N 0 0 500.555 5.924 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000014291161 553511881 /nfs/dbraw/zinc/51/18/81/553511881.db2.gz KAJCRYFJSSNIKE-UHFFFAOYSA-N 0 0 526.977 5.074 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 ZINC000014411903 553516390 /nfs/dbraw/zinc/51/63/90/553516390.db2.gz XFFJMHYGPBHZOC-UHFFFAOYSA-N 0 0 519.604 5.580 40 5 KKBBRN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000015304560 553531066 /nfs/dbraw/zinc/53/10/66/553531066.db2.gz NLTOCRDDFPBDOJ-UDWIEESQSA-N 0 0 509.312 5.289 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000016611053 553569472 /nfs/dbraw/zinc/56/94/72/553569472.db2.gz QFZBVUXYYXJFST-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611103 553569525 /nfs/dbraw/zinc/56/95/25/553569525.db2.gz NXNUNBFJIHEPEI-AWEZNQCLSA-N 0 0 508.987 6.697 40 5 KKBBRN CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@H]2CCCC[C@@H]12 ZINC000016682578 553572506 /nfs/dbraw/zinc/57/25/06/553572506.db2.gz YXEFIVSGCPRGED-XLIONFOSSA-N 0 0 502.976 5.851 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000020239048 553624640 /nfs/dbraw/zinc/62/46/40/553624640.db2.gz PDSPUEXNRDNUDI-UHFFFAOYSA-N 0 0 517.563 5.008 40 5 KKBBRN COc1ccc2c3nc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000070707882 553631740 /nfs/dbraw/zinc/63/17/40/553631740.db2.gz XRMNYTXEPAIZND-UHFFFAOYSA-N 0 0 546.627 5.188 40 5 biogenic KKBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6nc7ccccc7s6)ccc5n(c43)c(=O)c2c1OC ZINC000070708140 553632303 /nfs/dbraw/zinc/63/23/03/553632303.db2.gz FSYIUGQIGHRUGD-HNNXBMFYSA-N 0 0 550.596 5.625 40 5 biogenic KKBBRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)c3ccnc5c3n4c(=O)c3c5ccc(OC)c3OC)ccc21 ZINC000070708391 553632838 /nfs/dbraw/zinc/63/28/38/553632838.db2.gz CFYGHMORIFKMML-UHFFFAOYSA-N 0 0 596.643 6.754 40 5 biogenic KKBBRN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000070708443 553632871 /nfs/dbraw/zinc/63/28/71/553632871.db2.gz ZRJIYMDAZVLMJE-MRXNPFEDSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN COc1ccc([C@@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 ZINC000082178349 553674552 /nfs/dbraw/zinc/67/45/52/553674552.db2.gz GLCKNHHVKAHVQM-VSGBNLITSA-N 0 0 632.536 6.295 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C)C[C@@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000095101039 553700176 /nfs/dbraw/zinc/70/01/76/553700176.db2.gz AZSNWJZCHJVPIN-ZPGRZCPFSA-N 0 0 704.700 5.882 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595671 553714922 /nfs/dbraw/zinc/71/49/22/553714922.db2.gz KRWZZBAHNHOCMV-UHFFFAOYSA-N 0 0 510.959 5.271 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000021595986 553715202 /nfs/dbraw/zinc/71/52/02/553715202.db2.gz WUCWERKIISSBRF-JLHYYAGUSA-N 0 0 522.989 5.609 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021596036 553715213 /nfs/dbraw/zinc/71/52/13/553715213.db2.gz IKNQABWKYABVKY-UHFFFAOYSA-N 0 0 528.053 5.186 40 5 KKBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000022257636 553733379 /nfs/dbraw/zinc/73/33/79/553733379.db2.gz DQHHJKXBKZLNPI-UHFFFAOYSA-N 0 0 505.358 5.610 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000022273815 553734933 /nfs/dbraw/zinc/73/49/33/553734933.db2.gz PQCUDBLPZYHINR-UHFFFAOYSA-N 0 0 503.536 5.221 40 5 KKBBRN Cc1ccc([C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022429788 553739988 /nfs/dbraw/zinc/73/99/88/553739988.db2.gz SISXPAGVGRJEMA-MUUNZHRXSA-N 0 0 515.591 5.004 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000022826675 553753056 /nfs/dbraw/zinc/75/30/56/553753056.db2.gz UZQGNDMYHPGJLX-UHFFFAOYSA-N 0 0 503.338 5.934 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 ZINC000096398766 553753336 /nfs/dbraw/zinc/75/33/36/553753336.db2.gz VGBBXJUWSWAXFG-LNMIWKSPSA-N 0 0 514.028 6.573 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000022833460 553756033 /nfs/dbraw/zinc/75/60/33/553756033.db2.gz KBFLTUNTTHUWBQ-AWEZNQCLSA-N 0 0 508.987 6.697 40 5 KKBBRN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022838545 553757821 /nfs/dbraw/zinc/75/78/21/553757821.db2.gz GEVQORLGPZNKQQ-UHFFFAOYSA-N 0 0 514.287 6.143 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000022843273 553759527 /nfs/dbraw/zinc/75/95/27/553759527.db2.gz QNNZZULQWJGUFI-MRXNPFEDSA-N 0 0 518.595 6.442 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022843985 553759539 /nfs/dbraw/zinc/75/95/39/553759539.db2.gz BXDAATRVZZGIDE-AWEZNQCLSA-N 0 0 519.539 5.952 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@@H](c5ccc(F)cc5)N6)nc34)c21 ZINC000097948486 553794138 /nfs/dbraw/zinc/79/41/38/553794138.db2.gz MGPLOAYWOIKPSY-XJKSGUPXSA-N 0 0 574.514 6.796 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@@H](c5ccc(Cl)cc5)N6)nc34)c21 ZINC000097948659 553795832 /nfs/dbraw/zinc/79/58/32/553795832.db2.gz TYEULRFKICCMPX-BBRMVZONSA-N 0 0 590.969 7.310 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000097949239 553800573 /nfs/dbraw/zinc/80/05/73/553800573.db2.gz AWTOWUGNJIDAFZ-GGAORHGYSA-N 0 0 681.263 8.021 40 5 KKBBRN CC(C)(C)c1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000097954376 553822883 /nfs/dbraw/zinc/82/28/83/553822883.db2.gz DIIJGUKJVOJOLH-KLJDGLGGSA-N 0 0 543.620 5.947 40 5 KKBBRN Cc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(C)cc3C)C2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000027527193 553829952 /nfs/dbraw/zinc/82/99/52/553829952.db2.gz SXOUVQFPPYUQLT-UHFFFAOYSA-N 0 0 524.621 6.341 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000029491215 553845002 /nfs/dbraw/zinc/84/50/02/553845002.db2.gz LVXVWHULHYTTJG-MTJSOVHGSA-N 0 0 500.960 6.775 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000029491871 553845165 /nfs/dbraw/zinc/84/51/65/553845165.db2.gz CKPGZANJGZNQLL-JJFYIABZSA-N 0 0 514.987 7.083 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125015 553866070 /nfs/dbraw/zinc/86/60/70/553866070.db2.gz XAVUDXAKCSONQH-XKZIYDEJSA-N 0 0 507.549 6.199 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000033353225 553923805 /nfs/dbraw/zinc/92/38/05/553923805.db2.gz BIIYWHLOULXKJD-GMQJOBGYSA-N 0 0 662.698 6.801 40 5 KKBBRN O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000033355115 553933169 /nfs/dbraw/zinc/93/31/69/553933169.db2.gz QFFRUDKBZNZJIJ-PPFXRVHHSA-N 0 0 554.646 8.304 40 5 KKBBRN O=C(c1cccc2c(Br)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033579076 553963176 /nfs/dbraw/zinc/96/31/76/553963176.db2.gz RSKFROZFRFENML-UHFFFAOYSA-N 0 0 523.431 5.463 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000097982713 554005142 /nfs/dbraw/zinc/00/51/42/554005142.db2.gz OOCCWTBJFYDRNB-GWJVZLEGSA-N 0 0 629.736 8.210 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097983546 554010003 /nfs/dbraw/zinc/01/00/03/554010003.db2.gz DMGUHELCQUBQIA-DJTBFXSJSA-N 0 0 551.643 7.229 40 5 KKBBRN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000098005166 554057479 /nfs/dbraw/zinc/05/74/79/554057479.db2.gz UCRFUZDTUCGYSM-UHFFFAOYSA-N 0 0 586.626 6.468 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 ZINC000098006816 554062485 /nfs/dbraw/zinc/06/24/85/554062485.db2.gz YUBUBTHBZIIYES-OHKLAEMPSA-N 0 0 662.698 6.801 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 ZINC000098007153 554063171 /nfs/dbraw/zinc/06/31/71/554063171.db2.gz RPHANTDSTPDPKL-UHFFFAOYSA-N 0 0 537.037 7.361 40 5 KKBBRN O=[N+]([O-])c1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1 ZINC000098046075 554135599 /nfs/dbraw/zinc/13/55/99/554135599.db2.gz NJTAJBRJICGSOO-UHFFFAOYSA-N 0 0 521.854 7.030 40 5 KKBBRN O=c1c2ccc3c4ccc5c(=O)n(-c6ccc(Cl)cc6)c(=O)c6ccc(c7ccc(c(=O)n1-c1ccc(Cl)cc1)c2c37)c4c56 ZINC000100045389 554193270 /nfs/dbraw/zinc/19/32/70/554193270.db2.gz ILYBWLBYEIZMCE-UHFFFAOYSA-N 0 0 611.440 7.248 40 5 KKBBRN Brc1ccc2c(c1)c(-c1ccc3ccccc3c1)c1ccc(Br)cc1c2-c1ccc2ccccc2c1 ZINC000100070051 554200956 /nfs/dbraw/zinc/20/09/56/554200956.db2.gz WQURYVBAXSWGDX-UHFFFAOYSA-N 0 0 588.342 11.158 40 5 KKBBRN Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] ZINC000100140571 554227525 /nfs/dbraw/zinc/22/75/25/554227525.db2.gz CZNSMTDXTYYCJM-SJXDCSIJSA-N 0 0 580.065 6.449 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000038204004 554274333 /nfs/dbraw/zinc/27/43/33/554274333.db2.gz HXVRMIWYMBDCEM-XBFTVGRRSA-N 0 0 522.605 5.868 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100297694 554289168 /nfs/dbraw/zinc/28/91/68/554289168.db2.gz NEZYLSXEVIBFBD-XYOKQWHBSA-N 0 0 563.422 7.389 40 5 KKBBRN Cc1ccccc1-c1cc(N2CC[N+](C)([O-])CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043132225 554297462 /nfs/dbraw/zinc/29/74/62/554297462.db2.gz FKUOVQVMCOPBJS-UHFFFAOYSA-N 0 0 594.600 6.800 40 5 KKBBRN CC(/C=C/C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000043768019 554299948 /nfs/dbraw/zinc/29/99/48/554299948.db2.gz KBPHJBAIARWVSC-JPVWQHFFSA-N 0 0 568.886 10.403 40 5 KKBBRN CC(=C\C=C/C=C(C)\C=C/C=C(C)\C=C/C1=C(C)C[C@@H](O)CC1(C)C)/C=C\C=C(C)\C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000043768013 554299981 /nfs/dbraw/zinc/29/99/81/554299981.db2.gz KBPHJBAIARWVSC-XUNSUOAESA-N 0 0 568.886 10.403 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000100343021 554328500 /nfs/dbraw/zinc/32/85/00/554328500.db2.gz ATOOPLFBJDJQOE-WYMPLXKRSA-N 0 0 538.412 7.141 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000100347554 554330510 /nfs/dbraw/zinc/33/05/10/554330510.db2.gz YSWIOXQYIATGHR-QRVIBDJDSA-N 0 0 554.049 6.691 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100351073 554331024 /nfs/dbraw/zinc/33/10/24/554331024.db2.gz VFJLJBOCJOOJNC-UHFFFAOYSA-N 0 0 586.644 8.690 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000100358671 554339391 /nfs/dbraw/zinc/33/93/91/554339391.db2.gz FKHUEKPAIQNTBW-WSDLNYQXSA-N 0 0 543.370 6.312 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000100362650 554346571 /nfs/dbraw/zinc/34/65/71/554346571.db2.gz ZRQRWBKFHOGZIG-VWLOTQADSA-N 0 0 551.515 5.544 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000100362646 554346587 /nfs/dbraw/zinc/34/65/87/554346587.db2.gz ZRQRWBKFHOGZIG-RUZDIDTESA-N 0 0 551.515 5.544 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000100365569 554351749 /nfs/dbraw/zinc/35/17/49/554351749.db2.gz RNOKWMYHAMOWEF-UQQQWYQISA-N 0 0 595.102 5.785 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100367245 554353595 /nfs/dbraw/zinc/35/35/95/554353595.db2.gz WQQHGRADRAJVNQ-QPJBPQEWSA-N 0 0 606.125 5.820 40 5 KKBBRN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000100390699 554366400 /nfs/dbraw/zinc/36/64/00/554366400.db2.gz LYKHOXDFSYOSHL-UHFFFAOYSA-N 0 0 527.920 7.115 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]21 ZINC000100390399 554366435 /nfs/dbraw/zinc/36/64/35/554366435.db2.gz QGAMWNKSVGNEGX-XXGRWQQESA-N 0 0 558.974 6.099 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390465 554366552 /nfs/dbraw/zinc/36/65/52/554366552.db2.gz KIRCSOIFZZVGLH-ZRZAMGCNSA-N 0 0 534.952 6.077 40 5 KKBBRN CC(C)(C)[C@@H]1CCc2c(sc3nc(COc4ccccc4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 ZINC000100407220 554374062 /nfs/dbraw/zinc/37/40/62/554374062.db2.gz QJOAPJQOYCXEIZ-HXUWFJFHSA-N 0 0 559.692 6.171 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2[N+](=O)[O-])CC1 ZINC000059294194 554387538 /nfs/dbraw/zinc/38/75/38/554387538.db2.gz FCKZEEUTYWQKPK-UHFFFAOYSA-N 0 0 514.626 6.633 40 5 KKBBRN Cc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463607 554396625 /nfs/dbraw/zinc/39/66/25/554396625.db2.gz ANHAAWOHOIMOSV-UHFFFAOYSA-N 0 0 505.599 7.464 40 5 KKBBRN Cc1cc2nc3s/c(=C/c4cccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000059596791 554409192 /nfs/dbraw/zinc/40/91/92/554409192.db2.gz YOMVEOMQIYXFRW-SSDVNMTOSA-N 0 0 511.481 5.793 40 5 KKBBRN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000100526575 554410211 /nfs/dbraw/zinc/41/02/11/554410211.db2.gz VMLXNVVIRRVPCK-UHFFFAOYSA-N 0 0 604.364 7.192 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1Cc1ccccc1 ZINC000059651964 554419276 /nfs/dbraw/zinc/41/92/76/554419276.db2.gz VEMDRSAMQABMHU-UUWRZZSWSA-N 0 0 600.631 7.443 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCOCC1 ZINC000059651944 554419331 /nfs/dbraw/zinc/41/93/31/554419331.db2.gz HJHPCGZPQPDGPO-XIFFEERXSA-N 0 0 592.652 5.194 40 5 KKBBRN CCOC(=O)C(CCCCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC ZINC000059663792 554421808 /nfs/dbraw/zinc/42/18/08/554421808.db2.gz VLABVIUXOVYKSJ-UHFFFAOYSA-N 0 0 591.701 7.693 40 5 KKBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000100598933 554430978 /nfs/dbraw/zinc/43/09/78/554430978.db2.gz YZJUOFNRONPAHA-UHFFFAOYSA-N 0 0 566.419 6.108 40 5 KKBBRN CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000059825768 554432231 /nfs/dbraw/zinc/43/22/31/554432231.db2.gz OUZIJAXXCAHABV-UHFFFAOYSA-N 0 0 529.018 5.364 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882789 554458997 /nfs/dbraw/zinc/45/89/97/554458997.db2.gz KPQQFLSGASKKPT-UHFFFAOYSA-N 0 0 615.089 5.191 40 5 KKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000059887655 554469306 /nfs/dbraw/zinc/46/93/06/554469306.db2.gz BDDXYRWYRWDIDP-UHFFFAOYSA-N 0 0 547.658 6.030 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060061028 554501688 /nfs/dbraw/zinc/50/16/88/554501688.db2.gz VNSQJHUCVYXCOE-PMERELPUSA-N 0 0 559.644 5.321 40 5 KKBBRN COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 ZINC000100912646 554518225 /nfs/dbraw/zinc/51/82/25/554518225.db2.gz SRBGMCBGEUXJBO-CQOQZXRMSA-N 0 0 610.069 5.381 40 5 KKBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000100925012 554523701 /nfs/dbraw/zinc/52/37/01/554523701.db2.gz CDTUXNKMXJRKHQ-UHFFFAOYSA-N 0 0 563.064 6.274 40 5 KKBBRN O=C(Nc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100948021 554536483 /nfs/dbraw/zinc/53/64/83/554536483.db2.gz DGUSMQYGBMMTFP-NGYBGAFCSA-N 0 0 562.163 5.656 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000100949639 554537038 /nfs/dbraw/zinc/53/70/38/554537038.db2.gz LXSBDGTXASLBKB-SCRHHBKZSA-N 0 0 526.014 5.998 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000100954372 554538661 /nfs/dbraw/zinc/53/86/61/554538661.db2.gz LYTOEOVZZRLRSY-PRLWALMFSA-N 0 0 615.042 5.835 40 5 KKBBRN O=[N+]([O-])c1ccc(/C(Cl)=C\c2cccc(/C=C(/Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000068563522 554539056 /nfs/dbraw/zinc/53/90/56/554539056.db2.gz BULADVQYBLGHOJ-LQGKIZFRSA-N 0 0 531.264 6.793 40 5 KKBBRN O=c1/c(=C\c2c3ccccc3cc3ccccc32)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000100958417 554541378 /nfs/dbraw/zinc/54/13/78/554541378.db2.gz NONKTBHTOJXYGB-ASUJOLEISA-N 0 0 526.686 6.687 40 5 KKBBRN O=C(c1ccccc1)c1ccc(SCCCCCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100985205 554548422 /nfs/dbraw/zinc/54/84/22/554548422.db2.gz IWAPTICZVRHUAN-UHFFFAOYSA-N 0 0 600.718 8.410 40 5 KKBBRN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccc(Br)cc1-2 ZINC000101012829 554558479 /nfs/dbraw/zinc/55/84/79/554558479.db2.gz PISLVKUBZYJYDT-QFIPXVFZSA-N 0 0 554.426 6.865 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000101064308 554571243 /nfs/dbraw/zinc/57/12/43/554571243.db2.gz OYDUHNVBJBYTNM-DZDVJMQSSA-N 0 0 620.459 6.339 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000101064607 554572474 /nfs/dbraw/zinc/57/24/74/554572474.db2.gz RETAXBVUKMOBNA-NGSHPTGOSA-N 0 0 558.388 5.064 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1F ZINC000101156960 554658783 /nfs/dbraw/zinc/65/87/83/554658783.db2.gz NSKVQDNPYBRCIR-NJYVYQBISA-N 0 0 502.285 5.092 40 5 KKBBRN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101589847 554801942 /nfs/dbraw/zinc/80/19/42/554801942.db2.gz XIRUWOOZGAGXCD-MIARMAKKSA-N 0 0 599.599 5.502 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2cccc3c2cccc3[N+](=O)[O-])cc1 ZINC000101655136 554819249 /nfs/dbraw/zinc/81/92/49/554819249.db2.gz NGSAMGFLOYSJQP-QHCPKHFHSA-N 0 0 565.651 6.421 40 5 KKBBRN COc1ccc(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cc(Cl)ccc2O)C4=O)cc1Cl ZINC000101666813 554822556 /nfs/dbraw/zinc/82/25/56/554822556.db2.gz MGWGOBPSMASRHP-UHFFFAOYSA-N 0 0 524.316 6.313 40 5 KKBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101671161 554824727 /nfs/dbraw/zinc/82/47/27/554824727.db2.gz GRKVKYDAHGSZLD-KLJDGLGGSA-N 0 0 604.413 5.666 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101673364 554826954 /nfs/dbraw/zinc/82/69/54/554826954.db2.gz DUUSPZHFETZJQF-GSLIJJQTSA-N 0 0 612.433 5.302 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1 ZINC000102449202 554931038 /nfs/dbraw/zinc/93/10/38/554931038.db2.gz XSUMLPOZXOCJPB-FCEKVYKBSA-N 0 0 555.612 6.163 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000102572864 554971036 /nfs/dbraw/zinc/97/10/36/554971036.db2.gz VSDLASVYIBIOBW-PGSZONDNSA-N 0 0 535.604 5.744 40 5 KKBBRN COCCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccco3)s2)cc2c1nc1ccccn1c2=O ZINC000102626005 554987877 /nfs/dbraw/zinc/98/78/77/554987877.db2.gz RJFHHBNKMZGCHU-UHFFFAOYSA-N 0 0 573.034 5.064 40 5 KKBBRN COCCn1c(=N)c(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c1nc1ccccn1c2=O ZINC000102626026 554988188 /nfs/dbraw/zinc/98/81/88/554988188.db2.gz GKBBMHBDPWSCAP-UHFFFAOYSA-N 0 0 601.063 5.610 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc23)cc1 ZINC000102628798 554988790 /nfs/dbraw/zinc/98/87/90/554988790.db2.gz YMMCBEWKLWCKMU-UHFFFAOYSA-N 0 0 615.063 7.273 40 5 KKBBRN O=C(NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1)OCc1ccccc1 ZINC000102674660 555003499 /nfs/dbraw/zinc/00/34/99/555003499.db2.gz OXGJSBZGEIJDSO-PUZFROQSSA-N 0 0 519.981 6.238 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000102805294 555073014 /nfs/dbraw/zinc/07/30/14/555073014.db2.gz HCSFRBRVRMVEBY-OEWQQVOASA-N 0 0 652.916 10.668 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887106 555118104 /nfs/dbraw/zinc/11/81/04/555118104.db2.gz ZTBXZOFYYWFZSK-FSSWDIPSSA-N 0 0 558.772 5.070 40 5 KKBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102899400 555139072 /nfs/dbraw/zinc/13/90/72/555139072.db2.gz PXYSLKZLVKDHQE-AWCRTANDSA-N 0 0 579.565 5.264 40 5 KKBBRN CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@H]3c2ccc(OCC)cc2)cc1 ZINC000102975382 555185315 /nfs/dbraw/zinc/18/53/15/555185315.db2.gz DCAYBBNFLNYKAP-ZGJXBICYSA-N 0 0 593.705 6.188 40 5 KKBBRN Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103537180 555436274 /nfs/dbraw/zinc/43/62/74/555436274.db2.gz LFXOAIZPQLAAIT-YCHSVXFSSA-N 0 0 555.590 5.885 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103537173 555436351 /nfs/dbraw/zinc/43/63/51/555436351.db2.gz LFXOAIZPQLAAIT-GCZHVTBPSA-N 0 0 555.590 5.885 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103542454 555439142 /nfs/dbraw/zinc/43/91/42/555439142.db2.gz PWVRXKYEONVPMP-CDACFMRSSA-N 0 0 590.035 6.494 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 ZINC000103542981 555439318 /nfs/dbraw/zinc/43/93/18/555439318.db2.gz BGAHJQLDWMQREK-UHLQNUQBSA-N 0 0 556.578 5.236 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103551368 555443743 /nfs/dbraw/zinc/44/37/43/555443743.db2.gz UBLRONAYKDNJFH-HPNWTYDNSA-N 0 0 555.590 5.759 40 5 KKBBRN COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103553033 555444713 /nfs/dbraw/zinc/44/47/13/555444713.db2.gz KHCVIOANXKIKGD-JCUDBWTNSA-N 0 0 571.589 5.460 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103555995 555446268 /nfs/dbraw/zinc/44/62/68/555446268.db2.gz IIGHFBBSFNYSHR-PJGOFDOSSA-N 0 0 545.551 5.434 40 5 KKBBRN C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103556739 555446593 /nfs/dbraw/zinc/44/65/93/555446593.db2.gz MUIYIOFPLUSVHU-AJOXXKJQSA-N 0 0 604.656 6.596 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103557900 555446806 /nfs/dbraw/zinc/44/68/06/555446806.db2.gz DPAPWPGRWVQXGD-CDACFMRSSA-N 0 0 573.580 5.980 40 5 KKBBRN O=C(C1=C2C(O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000103558440 555447117 /nfs/dbraw/zinc/44/71/17/555447117.db2.gz KAMVSGGANDFDTA-KIHHCIJBSA-N 0 0 567.907 5.540 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103562305 555449471 /nfs/dbraw/zinc/44/94/71/555449471.db2.gz YPPHDLHIAYXVKH-DZDVJMQSSA-N 0 0 576.008 6.230 40 5 KKBBRN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103602784 555454313 /nfs/dbraw/zinc/45/43/13/555454313.db2.gz RMVMWKIXQRQJKV-GKIKGMKOSA-N 0 0 571.589 5.317 40 5 KKBBRN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103627331 555457600 /nfs/dbraw/zinc/45/76/00/555457600.db2.gz ZMIHIEGLVVBBGF-JUQCDRLLSA-N 0 0 571.589 5.460 40 5 KKBBRN O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1)c1ccccc1 ZINC000103697082 555463904 /nfs/dbraw/zinc/46/39/04/555463904.db2.gz ICLQKQUGKORNEK-SSEXGKCCSA-N 0 0 566.042 7.132 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757187 555470155 /nfs/dbraw/zinc/47/01/55/555470155.db2.gz UQHGAKMIBKALRW-MGBGTMOVSA-N 0 0 569.646 7.287 40 5 KKBBRN O=c1c2ccc3c(=O)n(CCc4ccc(Cl)cc4Cl)c(=O)c4ccc(c(=O)n1CCc1ccc(Cl)cc1Cl)c2c34 ZINC000103759520 555470891 /nfs/dbraw/zinc/47/08/91/555470891.db2.gz BEQATKLECPBWBE-UHFFFAOYSA-N 0 0 612.296 6.165 40 5 KKBBRN O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000103763828 555472129 /nfs/dbraw/zinc/47/21/29/555472129.db2.gz ADKAWDYNFPHBOF-JGCGQSQUSA-N 0 0 611.691 6.716 40 5 KKBBRN O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12)c1ccccc1 ZINC000103768795 555474263 /nfs/dbraw/zinc/47/42/63/555474263.db2.gz AYTXSFZVRFZKAP-UMSFTDKQSA-N 0 0 585.710 8.194 40 5 KKBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 ZINC000103769922 555474667 /nfs/dbraw/zinc/47/46/67/555474667.db2.gz VJPVFQNKDBNWEG-UHFFFAOYSA-N 0 0 590.476 8.033 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000103771673 555475269 /nfs/dbraw/zinc/47/52/69/555475269.db2.gz GOJULYZXLFXPLH-UHFFFAOYSA-N 0 0 600.772 8.427 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000103773802 555475477 /nfs/dbraw/zinc/47/54/77/555475477.db2.gz ZGPBGGYWUNXBRH-UHFFFAOYSA-N 0 0 595.728 5.863 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000103781232 555476314 /nfs/dbraw/zinc/47/63/14/555476314.db2.gz NSPFDSOJLFTBKC-UAMLYEQYSA-N 0 0 579.609 5.635 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103783997 555476710 /nfs/dbraw/zinc/47/67/10/555476710.db2.gz CNMXRIKTRHXXJC-XNENXQGPSA-N 0 0 584.672 6.381 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103783991 555476721 /nfs/dbraw/zinc/47/67/21/555476721.db2.gz CNMXRIKTRHXXJC-DAIZXWHWSA-N 0 0 584.672 6.381 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791093 555480514 /nfs/dbraw/zinc/48/05/14/555480514.db2.gz NIEOGAJKXURJTD-ZPMAPHDVSA-N 0 0 601.684 5.815 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1F ZINC000103791171 555480803 /nfs/dbraw/zinc/48/08/03/555480803.db2.gz RPJDDVFCZGPINK-VNOBABJFSA-N 0 0 619.674 5.954 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] ZINC000103791565 555481009 /nfs/dbraw/zinc/48/10/09/555481009.db2.gz INXJTCCNKQGRCE-UAMLYEQYSA-N 0 0 563.610 5.934 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000103828050 571362125 /nfs/dbraw/zinc/36/21/25/571362125.db2.gz HLLZDKVIFZMOJV-USDTVRPUSA-N 0 0 617.680 5.072 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222531444 571368029 /nfs/dbraw/zinc/36/80/29/571368029.db2.gz MVIMKFJUUCNDFK-UMSFTDKQSA-N 0 0 721.276 6.481 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222531201 571368037 /nfs/dbraw/zinc/36/80/37/571368037.db2.gz FGOVWSLCYFRYCN-VWLOTQADSA-N 0 0 665.596 5.746 40 5 KKBBRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000103892715 571368751 /nfs/dbraw/zinc/36/87/51/571368751.db2.gz WHIJGWLTQZYREM-UHFFFAOYSA-N 0 0 612.762 7.100 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] ZINC000103913557 571369575 /nfs/dbraw/zinc/36/95/75/571369575.db2.gz WSFVNOWUIUDGEX-LCQSEVKBSA-N 0 0 551.649 5.857 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] ZINC000103913553 571369585 /nfs/dbraw/zinc/36/95/85/571369585.db2.gz WSFVNOWUIUDGEX-UQDCTOEPSA-N 0 0 551.649 5.857 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]23)C1O ZINC000103973890 571370538 /nfs/dbraw/zinc/37/05/38/571370538.db2.gz DENCGNQTUBKZOH-QVQNZMNRSA-N 0 0 592.833 5.592 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222568564 571372001 /nfs/dbraw/zinc/37/20/01/571372001.db2.gz YVAAZNIRKGZFNU-UMSFTDKQSA-N 0 0 721.276 6.481 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000104085303 571372880 /nfs/dbraw/zinc/37/28/80/571372880.db2.gz IVJVUJXDUVPHDT-UHFFFAOYSA-N 0 0 536.544 5.816 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cc6ccccc6o5)CC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000104085331 571372986 /nfs/dbraw/zinc/37/29/86/571372986.db2.gz LZRLGBJYBGKRDI-UHFFFAOYSA-N 0 0 566.570 5.824 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000104085841 571373107 /nfs/dbraw/zinc/37/31/07/571373107.db2.gz DCFVVPXJYZBOIZ-UHFFFAOYSA-N 0 0 611.076 5.588 40 5 KKBBRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000104099030 571373753 /nfs/dbraw/zinc/37/37/53/571373753.db2.gz GZHGOPUFZQYVCY-UHFFFAOYSA-N 0 0 555.443 6.331 40 5 KKBBRN COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000104118972 571374302 /nfs/dbraw/zinc/37/43/02/571374302.db2.gz CHZRWCNJNSGYPL-NIKYWZLZSA-N 0 0 571.589 5.585 40 5 KKBBRN C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000104131421 571374469 /nfs/dbraw/zinc/37/44/69/571374469.db2.gz ZVZUAPRVZSTVHG-HVFHEAPXSA-N 0 0 620.831 9.706 40 5 KKBBRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@@]21C)CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C4 ZINC000104131500 571374483 /nfs/dbraw/zinc/37/44/83/571374483.db2.gz FNAULHYKPTWGRS-TVMVMSQUSA-N 0 0 576.734 8.372 40 5 KKBBRN CC(=O)Nc1ccc(S(=O)(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccc([N+](=O)[O-])o2)cc1 ZINC000104198713 571376688 /nfs/dbraw/zinc/37/66/88/571376688.db2.gz FXLXKCAHCYPNBG-UCQKPKSFSA-N 0 0 557.378 6.141 40 5 KKBBRN O=Cc1ccc(N2O[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104212523 571376986 /nfs/dbraw/zinc/37/69/86/571376986.db2.gz WTRKPWYNCDOLJM-KCHLEUMXSA-N 0 0 540.488 6.242 40 5 KKBBRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000104330274 571379233 /nfs/dbraw/zinc/37/92/33/571379233.db2.gz CXOOBXMVYLFKLE-UHFFFAOYSA-N 0 0 515.334 6.580 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(OC)c(Cl)c5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000104329436 571379261 /nfs/dbraw/zinc/37/92/61/571379261.db2.gz JLFRFSCWGABIMX-UHFFFAOYSA-N 0 0 519.901 5.512 40 5 KKBBRN O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32 ZINC000104430859 571381023 /nfs/dbraw/zinc/38/10/23/571381023.db2.gz KNYBFVJHFJXHPL-PMERELPUSA-N 0 0 535.563 6.856 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222665269 571381624 /nfs/dbraw/zinc/38/16/24/571381624.db2.gz RVWIEAYZEAGVGH-SANMLTNESA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654986 571383546 /nfs/dbraw/zinc/38/35/46/571383546.db2.gz CAJOWAQSOPYBJW-IMUCPKNRSA-N 0 0 575.646 5.804 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104655659 571383788 /nfs/dbraw/zinc/38/37/88/571383788.db2.gz WKDJRGUTKKHTKG-KFOJKGMOSA-N 0 0 589.673 6.112 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656822 571384081 /nfs/dbraw/zinc/38/40/81/571384081.db2.gz ZBECEYCGUBLEKQ-MRWVFDTMSA-N 0 0 575.646 5.804 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656755 571384093 /nfs/dbraw/zinc/38/40/93/571384093.db2.gz LTXLKMVGLWEISR-ITNPZBTBSA-N 0 0 596.064 6.149 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656894 571384105 /nfs/dbraw/zinc/38/41/05/571384105.db2.gz BAMXCIKYWZRULB-UAMLYEQYSA-N 0 0 596.064 6.149 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657126 571384219 /nfs/dbraw/zinc/38/42/19/571384219.db2.gz GZALSBOZEVXHOH-ACHQHTMYSA-N 0 0 601.684 5.815 40 5 KKBBRN O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000104659390 571384794 /nfs/dbraw/zinc/38/47/94/571384794.db2.gz ZVZRFEFZAZYDGF-AOFXREQWSA-N 0 0 571.658 5.806 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)sc2=N1 ZINC000104676685 571385085 /nfs/dbraw/zinc/38/50/85/571385085.db2.gz PTJCODWNKUTHQF-JLKMOJGBSA-N 0 0 599.709 6.179 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000105026077 571389903 /nfs/dbraw/zinc/38/99/03/571389903.db2.gz GLFKZKLAPGHTDG-UHFFFAOYSA-N 0 0 547.641 5.009 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222725956 571389929 /nfs/dbraw/zinc/38/99/29/571389929.db2.gz BPBZKAGFQKMTRN-MHZLTWQESA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222730413 571390599 /nfs/dbraw/zinc/39/05/99/571390599.db2.gz KWTVUXYSZOZBHV-VWLOTQADSA-N 0 0 700.041 6.399 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 ZINC000105105170 571391607 /nfs/dbraw/zinc/39/16/07/571391607.db2.gz AVGYFSCQMANWHE-IEVQEWPMSA-N 0 0 543.620 5.146 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c(C)c1 ZINC000105161141 571391783 /nfs/dbraw/zinc/39/17/83/571391783.db2.gz ITLPXJRQIPVIGA-ZVHZXABRSA-N 0 0 531.590 5.774 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105190447 571391869 /nfs/dbraw/zinc/39/18/69/571391869.db2.gz MJFBDOVRMVIOQM-UHFFFAOYSA-N 0 0 555.399 6.541 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1Cl ZINC000105223357 571392375 /nfs/dbraw/zinc/39/23/75/571392375.db2.gz DOGHLHVIEGQJPD-UHFFFAOYSA-N 0 0 528.377 6.420 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc6c(Cl)cccc56)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000105303489 571392741 /nfs/dbraw/zinc/39/27/41/571392741.db2.gz KDRJWUGSSWQAJQ-UHFFFAOYSA-N 0 0 541.007 7.698 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000105303172 571392795 /nfs/dbraw/zinc/39/27/95/571392795.db2.gz WZAMBRGEJYGFOV-JXMROGBWSA-N 0 0 618.946 7.182 40 5 KKBBRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000105303700 571392878 /nfs/dbraw/zinc/39/28/78/571392878.db2.gz SJCHKADWPKTTRV-ZZXKWVIFSA-N 0 0 616.527 5.235 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000105304184 571393018 /nfs/dbraw/zinc/39/30/18/571393018.db2.gz GLCRGJXSCGCIBA-UHFFFAOYSA-N 0 0 523.954 5.547 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000105304555 571393295 /nfs/dbraw/zinc/39/32/95/571393295.db2.gz LFIIRYZZLBVJRF-UHFFFAOYSA-N 0 0 567.410 7.405 40 5 KKBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105304632 571393334 /nfs/dbraw/zinc/39/33/34/571393334.db2.gz OXMCLKRIXXHJLW-UHFFFAOYSA-N 0 0 525.542 6.063 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222755470 571393486 /nfs/dbraw/zinc/39/34/86/571393486.db2.gz DNSFVMUBRCLWDD-OAQYLSRUSA-N 0 0 512.459 5.467 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305766 571393757 /nfs/dbraw/zinc/39/37/57/571393757.db2.gz NJFNTLITEYGQLF-UHFFFAOYSA-N 0 0 570.458 6.827 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306067 571393845 /nfs/dbraw/zinc/39/38/45/571393845.db2.gz DABIZNVFHKGRDC-UHFFFAOYSA-N 0 0 520.455 5.750 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305876 571393849 /nfs/dbraw/zinc/39/38/49/571393849.db2.gz ONZGNMUXJUGIKO-UHFFFAOYSA-N 0 0 570.458 6.827 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000105305960 571393854 /nfs/dbraw/zinc/39/38/54/571393854.db2.gz HQQBYXWJINPZLF-UHFFFAOYSA-N 0 0 580.070 5.416 40 5 KKBBRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)oc2cc1C ZINC000105305845 571393913 /nfs/dbraw/zinc/39/39/13/571393913.db2.gz CXKLSJKABSDJFL-UHFFFAOYSA-N 0 0 543.649 6.445 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306309 571393975 /nfs/dbraw/zinc/39/39/75/571393975.db2.gz GSLFKFCSPQFWLJ-UHFFFAOYSA-N 0 0 572.430 5.673 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000105306178 571393986 /nfs/dbraw/zinc/39/39/86/571393986.db2.gz NCLGOANGCODZLI-UHFFFAOYSA-N 0 0 566.039 6.182 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222760288 571394121 /nfs/dbraw/zinc/39/41/21/571394121.db2.gz NDAILBLGTRNPBX-YTTGMZPUSA-N 0 0 646.741 5.342 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306675 571394179 /nfs/dbraw/zinc/39/41/79/571394179.db2.gz YYTGOCQMKVCBCD-UHFFFAOYSA-N 0 0 572.430 5.673 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222762092 571394347 /nfs/dbraw/zinc/39/43/47/571394347.db2.gz IZFWMPNCBNXXKP-AREMUKBSSA-N 0 0 621.543 5.429 40 5 KKBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105308119 571394900 /nfs/dbraw/zinc/39/49/00/571394900.db2.gz FLBTVMZKMZSKOB-UHFFFAOYSA-N 0 0 528.590 5.404 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000105308104 571394933 /nfs/dbraw/zinc/39/49/33/571394933.db2.gz CRJMLVZGSOTIGK-UHFFFAOYSA-N 0 0 552.012 5.792 40 5 KKBBRN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000105308023 571394938 /nfs/dbraw/zinc/39/49/38/571394938.db2.gz PQTZGMVWCAYMBM-UHFFFAOYSA-N 0 0 545.621 5.959 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)oc2c1 ZINC000105310380 571395967 /nfs/dbraw/zinc/39/59/67/571395967.db2.gz MOISKHUMKMIDJE-UHFFFAOYSA-N 0 0 531.594 5.534 40 5 KKBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)nc2c1 ZINC000105310632 571396121 /nfs/dbraw/zinc/39/61/21/571396121.db2.gz OKHLAJNNQQZOTC-UHFFFAOYSA-N 0 0 528.546 6.058 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105310675 571396126 /nfs/dbraw/zinc/39/61/26/571396126.db2.gz ILEBOTJYXRYHNK-UHFFFAOYSA-N 0 0 552.012 5.879 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000105312520 571397380 /nfs/dbraw/zinc/39/73/80/571397380.db2.gz SGLIATLGQZWAIY-KRWDZBQOSA-N 0 0 540.601 7.303 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105312858 571397427 /nfs/dbraw/zinc/39/74/27/571397427.db2.gz CUZHUMOLCKZESZ-UHFFFAOYSA-N 0 0 556.600 6.922 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1[N+](=O)[O-] ZINC000105312783 571397442 /nfs/dbraw/zinc/39/74/42/571397442.db2.gz PELUONXGLSFZOE-UHFFFAOYSA-N 0 0 534.594 6.061 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105313501 571397911 /nfs/dbraw/zinc/39/79/11/571397911.db2.gz CKHXDPVIXBAODB-UHFFFAOYSA-N 0 0 564.377 5.947 40 5 KKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105313787 571398085 /nfs/dbraw/zinc/39/80/85/571398085.db2.gz SOLLQYRDCPVYAM-UHFFFAOYSA-N 0 0 543.653 5.488 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)cc1I ZINC000105314615 571398641 /nfs/dbraw/zinc/39/86/41/571398641.db2.gz FYFQPYUEWZERGQ-UHFFFAOYSA-N 0 0 521.336 5.203 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000105314920 571398709 /nfs/dbraw/zinc/39/87/09/571398709.db2.gz JIZIRXBPKLNEEO-UHFFFAOYSA-N 0 0 545.665 5.872 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105315359 571399068 /nfs/dbraw/zinc/39/90/68/571399068.db2.gz NNDWBNJJPLXGMC-UHFFFAOYSA-N 0 0 528.590 5.485 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222798460 571399185 /nfs/dbraw/zinc/39/91/85/571399185.db2.gz MQYMKVJKRNABAC-GDLZYMKVSA-N 0 0 655.560 5.483 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105316334 571399571 /nfs/dbraw/zinc/39/95/71/571399571.db2.gz ZHMRHCDPZVTGJE-UHFFFAOYSA-N 0 0 590.061 5.597 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105317592 571400274 /nfs/dbraw/zinc/40/02/74/571400274.db2.gz VYWUVQPMCAJOJZ-UHFFFAOYSA-N 0 0 596.090 5.659 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105317639 571400291 /nfs/dbraw/zinc/40/02/91/571400291.db2.gz IODQLSTVWGCALH-UHFFFAOYSA-N 0 0 596.090 5.659 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cccc1[N+](=O)[O-] ZINC000105318596 571400991 /nfs/dbraw/zinc/40/09/91/571400991.db2.gz UFUYQKJNVXOAGW-UHFFFAOYSA-N 0 0 565.524 5.052 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000105318720 571401092 /nfs/dbraw/zinc/40/10/92/571401092.db2.gz NDSRRHRRXXBNJR-UHFFFAOYSA-N 0 0 585.942 5.397 40 5 KKBBRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105319380 571401402 /nfs/dbraw/zinc/40/14/02/571401402.db2.gz OFEZYNCKQXVLMQ-UHFFFAOYSA-N 0 0 602.308 7.249 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000105319570 571401498 /nfs/dbraw/zinc/40/14/98/571401498.db2.gz QSTPZNNEWPEXHF-SOFGYWHQSA-N 0 0 593.684 7.702 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105320238 571401987 /nfs/dbraw/zinc/40/19/87/571401987.db2.gz ZRIBQAYPAVWFOU-UHFFFAOYSA-N 0 0 557.404 7.171 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105320502 571402110 /nfs/dbraw/zinc/40/21/10/571402110.db2.gz BHBZRSRXUYUJHX-UHFFFAOYSA-N 0 0 557.788 5.908 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105320527 571402197 /nfs/dbraw/zinc/40/21/97/571402197.db2.gz KNMCTQJOSQCLDG-UHFFFAOYSA-N 0 0 604.788 5.750 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000105322280 571402951 /nfs/dbraw/zinc/40/29/51/571402951.db2.gz XNBJBFLZUVNYAQ-XBXARRHUSA-N 0 0 531.421 5.577 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105322727 571403186 /nfs/dbraw/zinc/40/31/86/571403186.db2.gz MXNCQFNNKJLMJJ-UHFFFAOYSA-N 0 0 558.463 6.129 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222834631 571403733 /nfs/dbraw/zinc/40/37/33/571403733.db2.gz VGYZKRWIUHBIPN-SANMLTNESA-N 0 0 552.469 5.312 40 5 KKBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000105354389 571404181 /nfs/dbraw/zinc/40/41/81/571404181.db2.gz QJEHTBCHIOCILK-UHFFFAOYSA-N 0 0 557.651 5.054 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498337 571405780 /nfs/dbraw/zinc/40/57/80/571405780.db2.gz FDLKFUQSDVEEMG-QARYAGPDSA-N 0 0 621.027 5.060 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105498972 571406017 /nfs/dbraw/zinc/40/60/17/571406017.db2.gz YXOWROAKVOMYEH-PNZYDNNZSA-N 0 0 596.086 5.342 40 5 KKBBRN Cc1ccc2c(c1)[C@](C)(c1ccc(Br)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000105513331 571406933 /nfs/dbraw/zinc/40/69/33/571406933.db2.gz BGMDMONOHRMTCE-NDEPHWFRSA-N 0 0 583.935 8.669 40 5 KKBBRN CCC1=C[C@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000105513128 571406948 /nfs/dbraw/zinc/40/69/48/571406948.db2.gz FOJCULUQNAYOAL-KDXMTYKHSA-N 0 0 578.756 9.960 40 5 KKBBRN CC1(C)C[C@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000105513325 571406969 /nfs/dbraw/zinc/40/69/69/571406969.db2.gz WLPPOGLXTBOSIN-HHHXNRCGSA-N 0 0 569.908 8.361 40 5 KKBBRN Cc1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000105513337 571406991 /nfs/dbraw/zinc/40/69/91/571406991.db2.gz NTBDWXUBUDSTFC-NDEPHWFRSA-N 0 0 539.484 8.560 40 5 KKBBRN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000105547189 571407524 /nfs/dbraw/zinc/40/75/24/571407524.db2.gz YCWOHYAGYCCVHP-UHFFFAOYSA-N 0 0 522.477 5.551 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222875588 571408506 /nfs/dbraw/zinc/40/85/06/571408506.db2.gz WKZCURRSMSFULR-AREMUKBSSA-N 0 0 661.177 5.101 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000105768671 571408522 /nfs/dbraw/zinc/40/85/22/571408522.db2.gz IOPLSNCNPFUALT-NQDYMZAQSA-N 0 0 598.464 5.582 40 5 KKBBRN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)ccc1OCc1cccc(Cl)c1 ZINC000105912923 571409342 /nfs/dbraw/zinc/40/93/42/571409342.db2.gz SRBGMCBGEUXJBO-FIXSFTCYSA-N 0 0 610.069 5.381 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106141937 571411492 /nfs/dbraw/zinc/41/14/92/571411492.db2.gz MVKIIIXOFKTWSP-UHFFFAOYSA-N 0 0 520.954 5.887 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106684328 571413613 /nfs/dbraw/zinc/41/36/13/571413613.db2.gz KORHOJRTHFBGIC-FMCGGJTJSA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106688453 571413903 /nfs/dbraw/zinc/41/39/03/571413903.db2.gz COZBFYXKBLBBHI-FMCGGJTJSA-N 0 0 575.020 5.569 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106696031 571414097 /nfs/dbraw/zinc/41/40/97/571414097.db2.gz HHGRMFXKNJRXAH-UCQKPKSFSA-N 0 0 522.510 5.588 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000106695690 571414113 /nfs/dbraw/zinc/41/41/13/571414113.db2.gz PIQBJXMAZWRJJL-UUYOSTAYSA-N 0 0 508.483 5.198 40 5 KKBBRN COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 ZINC000106702537 571414618 /nfs/dbraw/zinc/41/46/18/571414618.db2.gz GEEYSAGFTBRISG-CFRMEGHHSA-N 0 0 534.546 5.727 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000106703286 571414714 /nfs/dbraw/zinc/41/47/14/571414714.db2.gz GFRKJCMKHPKIGI-JJFYIABZSA-N 0 0 593.377 7.713 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106703466 571414819 /nfs/dbraw/zinc/41/48/19/571414819.db2.gz SJBBODLXIKJUEW-UUYOSTAYSA-N 0 0 521.507 5.849 40 5 KKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000106707585 571414931 /nfs/dbraw/zinc/41/49/31/571414931.db2.gz AZVDHUNILLOKPE-QRVIBDJDSA-N 0 0 539.407 6.481 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106725073 571416234 /nfs/dbraw/zinc/41/62/34/571416234.db2.gz FJCCUIHSBHMLNM-DICXZTSXSA-N 0 0 590.635 6.069 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106725601 571416371 /nfs/dbraw/zinc/41/63/71/571416371.db2.gz NUMGSUNLPYZGMU-ODLFYWEKSA-N 0 0 512.341 5.781 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1F ZINC000106727251 571416407 /nfs/dbraw/zinc/41/64/07/571416407.db2.gz CEKUYDRVMROSKU-QRVIBDJDSA-N 0 0 587.423 6.711 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106726900 571416474 /nfs/dbraw/zinc/41/64/74/571416474.db2.gz OUILRUBOVLBCTQ-UUYOSTAYSA-N 0 0 570.377 6.081 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(I)cc1 ZINC000106728498 571416578 /nfs/dbraw/zinc/41/65/78/571416578.db2.gz MGXNMRLJKSWCFK-QRVIBDJDSA-N 0 0 602.406 6.024 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106733931 571416625 /nfs/dbraw/zinc/41/66/25/571416625.db2.gz JNBJIJOBXBDWEP-YVNNLAQVSA-N 0 0 562.984 5.700 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106732769 571416647 /nfs/dbraw/zinc/41/66/47/571416647.db2.gz GEWLBQROGJFBPG-UUYOSTAYSA-N 0 0 589.445 5.670 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000106739611 571417180 /nfs/dbraw/zinc/41/71/80/571417180.db2.gz FNLTVJRYHAUOGJ-CFRMEGHHSA-N 0 0 542.972 6.602 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106740289 571417185 /nfs/dbraw/zinc/41/71/85/571417185.db2.gz LZTPJDBTMJXIBN-MTJSOVHGSA-N 0 0 578.983 5.400 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000106740350 571417192 /nfs/dbraw/zinc/41/71/92/571417192.db2.gz LOQXKDLLMOUGFI-JJFYIABZSA-N 0 0 559.383 6.366 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000106745547 571417465 /nfs/dbraw/zinc/41/74/65/571417465.db2.gz UVTVYEYIPZPDGD-UCQKPKSFSA-N 0 0 616.433 6.414 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745521 571417483 /nfs/dbraw/zinc/41/74/83/571417483.db2.gz VRBHQDRXSXMZPZ-CFRMEGHHSA-N 0 0 514.519 5.743 40 5 KKBBRN CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000106745326 571417509 /nfs/dbraw/zinc/41/75/09/571417509.db2.gz VXZFJVSQJSFKGP-WQRHYEAKSA-N 0 0 554.362 5.233 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc2c(Cl)cccc12 ZINC000107643530 571420673 /nfs/dbraw/zinc/42/06/73/571420673.db2.gz KIVSDNSLSZDGOZ-UHFFFAOYSA-N 0 0 538.073 5.229 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000107765828 571421162 /nfs/dbraw/zinc/42/11/62/571421162.db2.gz FDDTZINJXQZCJR-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000107923520 571421676 /nfs/dbraw/zinc/42/16/76/571421676.db2.gz SWDRASUHNVLYJK-UHFFFAOYSA-N 0 0 533.595 5.019 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000107927567 571421682 /nfs/dbraw/zinc/42/16/82/571421682.db2.gz VGXLDDOTWFQWKR-UHFFFAOYSA-N 0 0 604.788 5.750 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000108169100 571422570 /nfs/dbraw/zinc/42/25/70/571422570.db2.gz RJMUPEWQHPEWPS-KEPJHFNWSA-N 0 0 617.680 5.071 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223021791 571422630 /nfs/dbraw/zinc/42/26/30/571422630.db2.gz VTQJUBGRYORSSP-QHCPKHFHSA-N 0 0 645.178 5.403 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223050029 571425982 /nfs/dbraw/zinc/42/59/82/571425982.db2.gz AJWPMJJISLNGSN-FCHUYYIVSA-N 0 0 631.151 5.093 40 5 KKBBRN O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108939885 571427659 /nfs/dbraw/zinc/42/76/59/571427659.db2.gz ZGYIQVRBKAUIGB-FMIVXFBMSA-N 0 0 614.555 6.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000109038661 571428198 /nfs/dbraw/zinc/42/81/98/571428198.db2.gz WSTBKRNXKZONTE-BIWBSIMWSA-N 0 0 557.628 5.090 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000109957273 571430411 /nfs/dbraw/zinc/43/04/11/571430411.db2.gz KOUHNFUFGPGHPA-RBBXRFMQSA-N 0 0 535.025 7.096 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000109957266 571430500 /nfs/dbraw/zinc/43/05/00/571430500.db2.gz KOUHNFUFGPGHPA-ZUFYJRLNSA-N 0 0 535.025 7.096 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000109975339 571430511 /nfs/dbraw/zinc/43/05/11/571430511.db2.gz LFAGUAGRUXAMIM-PRLWALMFSA-N 0 0 571.655 5.398 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465299 571432423 /nfs/dbraw/zinc/43/24/23/571432423.db2.gz MORCKYCOSRIIQY-ZHGFHMGHSA-N 0 0 591.645 5.412 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465362 571432487 /nfs/dbraw/zinc/43/24/87/571432487.db2.gz ZIGBSXLBRYPWMX-ZHGFHMGHSA-N 0 0 607.644 5.112 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1 ZINC000111468539 571432746 /nfs/dbraw/zinc/43/27/46/571432746.db2.gz IKCUTEGYAPUZBT-JLKMOJGBSA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000111469631 571432857 /nfs/dbraw/zinc/43/28/57/571432857.db2.gz GPICSLXGOOLDCY-FWESEHMYSA-N 0 0 609.635 5.551 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112240019 571435061 /nfs/dbraw/zinc/43/50/61/571435061.db2.gz NFLKWSSAWNPDQD-UHFFFAOYSA-N 0 0 554.053 5.488 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112240102 571435076 /nfs/dbraw/zinc/43/50/76/571435076.db2.gz HSWLRLXAJHZNIA-UHFFFAOYSA-N 0 0 554.053 5.488 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000112253711 571436795 /nfs/dbraw/zinc/43/67/95/571436795.db2.gz BTBQSJIZNBBXES-UHFFFAOYSA-N 0 0 536.437 5.656 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912954 571443457 /nfs/dbraw/zinc/44/34/57/571443457.db2.gz HWYJEBSPZZWBMD-NERAKNLZSA-O 0 0 583.900 5.283 40 5 KKBBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H]([N+](=O)[O-])[C@@]2(Cl)C1 ZINC000118926232 571447160 /nfs/dbraw/zinc/44/71/60/571447160.db2.gz IEVVBUBYACFXQB-NGYRYOBISA-N 0 0 510.159 7.656 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223249636 571450671 /nfs/dbraw/zinc/45/06/71/571450671.db2.gz QCXOHNQOHHUXDS-JGCGQSQUSA-N 0 0 693.222 5.845 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000138820213 571452166 /nfs/dbraw/zinc/45/21/66/571452166.db2.gz YKQVMMHYRZHZKD-QYVZARNFSA-N 0 0 608.448 5.807 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000139307059 571453083 /nfs/dbraw/zinc/45/30/83/571453083.db2.gz ROAUQPNIBYLVTL-QHCPKHFHSA-N 0 0 624.705 5.404 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223289912 571455580 /nfs/dbraw/zinc/45/55/80/571455580.db2.gz IGTIZYQRYDRTAA-NRFANRHFSA-N 0 0 569.680 5.425 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000143991844 571456315 /nfs/dbraw/zinc/45/63/15/571456315.db2.gz XHPJKMRCJNBOPB-UHFFFAOYSA-N 0 0 605.713 5.914 40 5 KKBBRN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 ZINC000147113437 571456723 /nfs/dbraw/zinc/45/67/23/571456723.db2.gz LXDPEILMRZHZDQ-QHCPKHFHSA-N 0 0 579.708 5.322 40 5 KKBBRN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 ZINC000147935509 571456892 /nfs/dbraw/zinc/45/68/92/571456892.db2.gz ZLPARJNIRCATJY-QFIPXVFZSA-N 0 0 565.681 5.013 40 5 KKBBRN O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2n1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000150359886 571463631 /nfs/dbraw/zinc/46/36/31/571463631.db2.gz ZSBXTOHIMJNRQC-UHFFFAOYSA-N 0 0 796.528 9.022 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 ZINC000150365439 571464567 /nfs/dbraw/zinc/46/45/67/571464567.db2.gz YDBRFTUWPFMXJZ-OHKLAEMPSA-N 0 0 697.143 7.454 40 5 KKBBRN O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)CO[C@H]1n1c(=O)oc2c1cc([N+](=O)[O-])cc2Cl)c1ccccc1 ZINC000150369796 571465667 /nfs/dbraw/zinc/46/56/67/571465667.db2.gz WEAGHRCJBNUSEH-NWLKPOKESA-N 0 0 659.003 5.362 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223375630 571467623 /nfs/dbraw/zinc/46/76/23/571467623.db2.gz AAFULMBRNBGUPP-FIPFOOKPSA-N 0 0 533.694 5.691 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000150386001 571469143 /nfs/dbraw/zinc/46/91/43/571469143.db2.gz FAJOAQGMVNXDKX-SRZZPIQSSA-N 0 0 622.266 7.074 40 5 KKBBRN CO[C@@H]1C[C@H](C)Cc2c(=O)c(cc3nc4cc(Br)ccc4oc2-3)NC(=O)/C(C)=C\C=C/[C@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H]1O ZINC000150387607 571470132 /nfs/dbraw/zinc/47/01/32/571470132.db2.gz GBAQGGXRNHNHMV-RHUZBNNXSA-N 0 0 698.611 5.516 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000150389776 571471991 /nfs/dbraw/zinc/47/19/91/571471991.db2.gz CIJFFYXEZLAHLO-MQIAMDAWSA-N 0 0 688.940 5.400 40 5 KKBBRN COc1cc2c(cc1OC)c(-c1c3cc(OC)c(OC)cc3c3c(OC)c(OC)cc4c3c1N(C)CC4)c1c3c(cc(OC)c(OC)c23)CCN1C ZINC000150389968 571472274 /nfs/dbraw/zinc/47/22/74/571472274.db2.gz YBNHMSCZKYIVGN-UHFFFAOYSA-N 0 0 704.820 8.020 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150390905 571473222 /nfs/dbraw/zinc/47/32/22/571473222.db2.gz FLSINFJHMHQELY-CBYYHRJHSA-N 0 0 640.537 5.451 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150391810 571473996 /nfs/dbraw/zinc/47/39/96/571473996.db2.gz UBDVGMBZVBDAFB-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223428508 571475190 /nfs/dbraw/zinc/47/51/90/571475190.db2.gz PWNWRXFESVIQFJ-VWLOTQADSA-N 0 0 663.168 5.622 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000150393943 571475362 /nfs/dbraw/zinc/47/53/62/571475362.db2.gz QDWYEGWTQUSPMT-PRLWALMFSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000150394811 571475679 /nfs/dbraw/zinc/47/56/79/571475679.db2.gz KSZQVHUBCANYDV-LRUGRNCASA-N 0 0 630.053 5.896 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150395034 571475735 /nfs/dbraw/zinc/47/57/35/571475735.db2.gz HQXIBISDJKRDNN-KMCFWPMWSA-N 0 0 654.144 6.881 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150395562 571476003 /nfs/dbraw/zinc/47/60/03/571476003.db2.gz QZVYCGSUAJDBRA-KUSDHMTMSA-N 0 0 653.738 5.834 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150395630 571476005 /nfs/dbraw/zinc/47/60/05/571476005.db2.gz YWCPYEMIIVNICE-KMCFWPMWSA-N 0 0 667.696 5.130 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395717 571476145 /nfs/dbraw/zinc/47/61/45/571476145.db2.gz AAICMHZZCCUEFD-CTHKJOMYSA-N 0 0 672.115 5.774 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150396351 571476532 /nfs/dbraw/zinc/47/65/32/571476532.db2.gz IBTSDLRCJZHCSY-QZVQSRICSA-N 0 0 649.725 6.236 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150396380 571476536 /nfs/dbraw/zinc/47/65/36/571476536.db2.gz HUTDPUWNWIQMTA-UOVKPGFYSA-N 0 0 688.589 7.534 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000150396611 571476610 /nfs/dbraw/zinc/47/66/10/571476610.db2.gz ZVTOJHCRDHICKW-UHFFFAOYSA-N 0 0 632.496 6.282 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)n2)cc1 ZINC000150399359 571477515 /nfs/dbraw/zinc/47/75/15/571477515.db2.gz SHUAXXVAHWIUBN-UHFFFAOYSA-N 0 0 688.612 6.895 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000150401190 571478125 /nfs/dbraw/zinc/47/81/25/571478125.db2.gz VCXCNKUOPHKTTE-UHAPOFRNSA-N 0 0 680.580 6.577 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2cccc(S(=O)(=O)c3cccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2)c([N+](=O)[O-])c1 ZINC000150401180 571478158 /nfs/dbraw/zinc/47/81/58/571478158.db2.gz MJUOQJSRKOQTBX-UHFFFAOYSA-N 0 0 614.595 6.455 40 5 KKBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc2ccccc21 ZINC000150410476 571482829 /nfs/dbraw/zinc/48/28/29/571482829.db2.gz WQLGTANLHJLTKP-UHFFFAOYSA-N 0 0 670.677 6.936 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223474162 571482945 /nfs/dbraw/zinc/48/29/45/571482945.db2.gz DFKOPVDIKYJFDK-RUZDIDTESA-N 0 0 714.068 6.789 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223477335 571483641 /nfs/dbraw/zinc/48/36/41/571483641.db2.gz GVSPZCSGZFJTDD-HKBQPEDESA-N 0 0 697.185 5.676 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224140062 571484655 /nfs/dbraw/zinc/48/46/55/571484655.db2.gz KRBOUCQLPGHGLQ-FQEVSTJZSA-N 0 0 710.047 5.855 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223488467 571485735 /nfs/dbraw/zinc/48/57/35/571485735.db2.gz UYKRYNCWZSIMGW-ZBLYBZFDSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223489434 571485819 /nfs/dbraw/zinc/48/58/19/571485819.db2.gz MAPRXLYYQYRWIV-LJQANCHMSA-N 0 0 526.417 5.011 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150416330 571485816 /nfs/dbraw/zinc/48/58/16/571485816.db2.gz RMQDAOXXPDCYPP-CRCYZHLCSA-N 0 0 639.608 5.526 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223501573 571487944 /nfs/dbraw/zinc/48/79/44/571487944.db2.gz KPRUAWKCVHZGBI-RUZDIDTESA-N 0 0 570.509 5.367 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000150422412 571488350 /nfs/dbraw/zinc/48/83/50/571488350.db2.gz QKIIMVJPMJSBIP-CLWMVSBGSA-N 0 0 624.480 7.148 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223521077 571492971 /nfs/dbraw/zinc/49/29/71/571492971.db2.gz KNFQZZRUIMFBSC-JGCGQSQUSA-N 0 0 723.646 5.646 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150430059 571493108 /nfs/dbraw/zinc/49/31/08/571493108.db2.gz RVQKMMACMOUOJV-UOVKPGFYSA-N 0 0 692.662 5.273 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223530903 571495639 /nfs/dbraw/zinc/49/56/39/571495639.db2.gz RHVFECYNXRQJDH-IBVKSMDESA-N 0 0 554.043 5.190 40 5 KKBBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000150437029 571496623 /nfs/dbraw/zinc/49/66/23/571496623.db2.gz ZSYZZLHPWWHBHK-RFJJDEQASA-N 0 0 739.803 6.873 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224207200 571496739 /nfs/dbraw/zinc/49/67/39/571496739.db2.gz COXFQCARCDYEPH-HKBQPEDESA-N 0 0 649.169 5.610 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224209351 571497223 /nfs/dbraw/zinc/49/72/23/571497223.db2.gz IWGLUHSBOADIBX-XIFFEERXSA-N 0 0 721.276 6.624 40 5 KKBBRN CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150441534 571498596 /nfs/dbraw/zinc/49/85/96/571498596.db2.gz FXZOKGRNFKHJRE-KCHLEUMXSA-N 0 0 715.693 5.207 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223546527 571499039 /nfs/dbraw/zinc/49/90/39/571499039.db2.gz HHBSGKILHPPXCI-IBVKSMDESA-N 0 0 508.018 5.346 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224217536 571499132 /nfs/dbraw/zinc/49/91/32/571499132.db2.gz QOPKWTGOQOSRGB-SSEXGKCCSA-N 0 0 636.771 5.282 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223552170 571499958 /nfs/dbraw/zinc/49/99/58/571499958.db2.gz KMYOPAWMOJXCRX-ZOYWYXQUSA-N 0 0 663.196 5.998 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223555703 571500823 /nfs/dbraw/zinc/50/08/23/571500823.db2.gz WDOBALXWBHEUBN-PMERELPUSA-N 0 0 679.593 5.329 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224228228 571501616 /nfs/dbraw/zinc/50/16/16/571501616.db2.gz HHPKVRHWZOMKGH-HHHXNRCGSA-N 0 0 533.694 5.691 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000150449906 571502256 /nfs/dbraw/zinc/50/22/56/571502256.db2.gz WHUILLXMHGBPRO-VJGNERBWSA-N 0 0 650.463 5.176 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224251909 571506808 /nfs/dbraw/zinc/50/68/08/571506808.db2.gz UTZAICHDSXQLDF-HKBQPEDESA-N 0 0 649.169 5.610 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223587855 571508441 /nfs/dbraw/zinc/50/84/41/571508441.db2.gz UZEVVNSKPRJPED-FQRUVTKNSA-N 0 0 554.043 5.190 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224262997 571509085 /nfs/dbraw/zinc/50/90/85/571509085.db2.gz LWKPWBZZWINBAU-MGBGTMOVSA-N 0 0 693.222 5.927 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223595146 571509806 /nfs/dbraw/zinc/50/98/06/571509806.db2.gz YIDIRVZKHUZOGB-RUZDIDTESA-N 0 0 560.503 5.911 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223613234 571513965 /nfs/dbraw/zinc/51/39/65/571513965.db2.gz JNRFCFDXEGPNEP-YTTGMZPUSA-N 0 0 713.640 6.190 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224291120 571514580 /nfs/dbraw/zinc/51/45/80/571514580.db2.gz WKPZRZUZIAPKNO-MUUNZHRXSA-N 0 0 613.136 5.310 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223617381 571514829 /nfs/dbraw/zinc/51/48/29/571514829.db2.gz BHYTULVASYLUAZ-WJOKGBTCSA-N 0 0 748.085 6.844 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223629607 571516930 /nfs/dbraw/zinc/51/69/30/571516930.db2.gz VCHKHBRKMLFJFO-GDLZYMKVSA-N 0 0 624.760 5.139 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223642538 571519148 /nfs/dbraw/zinc/51/91/48/571519148.db2.gz DVZCMILBCXBLQJ-FNZWTVRRSA-N 0 0 554.043 5.190 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223663946 571522825 /nfs/dbraw/zinc/52/28/25/571522825.db2.gz GZQYLQHLSNMCDY-NLGDKJDOSA-N 0 0 646.741 5.484 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223664105 571522832 /nfs/dbraw/zinc/52/28/32/571522832.db2.gz WTEBVZRPDAQPBX-NLGDKJDOSA-N 0 0 646.741 5.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150607013 571522865 /nfs/dbraw/zinc/52/28/65/571522865.db2.gz HQSJJFURKITBNC-JYNXQWRTSA-N 0 0 703.000 6.563 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224328764 571522934 /nfs/dbraw/zinc/52/29/34/571522934.db2.gz SHJVNVGCNAYZDK-HKBQPEDESA-N 0 0 663.196 5.998 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224337698 571525271 /nfs/dbraw/zinc/52/52/71/571525271.db2.gz DIPSFXZLULFTHH-WJOKGBTCSA-N 0 0 632.714 5.096 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223705619 571530263 /nfs/dbraw/zinc/53/02/63/571530263.db2.gz VFKCVIJYZMWJML-YTTGMZPUSA-N 0 0 713.640 6.190 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000161911243 571531282 /nfs/dbraw/zinc/53/12/82/571531282.db2.gz MCZYOHGXFUZGOZ-UHFFFAOYSA-N 0 0 610.216 7.781 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000161925531 571531428 /nfs/dbraw/zinc/53/14/28/571531428.db2.gz QPYLZGQNJYLKAY-UHFFFAOYSA-N 0 0 647.882 6.388 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n31)c1ccccc1CC2 ZINC000163189469 571532510 /nfs/dbraw/zinc/53/25/10/571532510.db2.gz VBMBJJIZXNVUBJ-SJXDCSIJSA-N 0 0 640.515 6.258 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000162896469 571532528 /nfs/dbraw/zinc/53/25/28/571532528.db2.gz CULXNQVVSQCDFE-QHCPKHFHSA-N 0 0 648.598 6.803 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000163195954 571532692 /nfs/dbraw/zinc/53/26/92/571532692.db2.gz GWNGZSYMGCAOHM-KFOJKGMOSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n31)c1ccccc1CC2 ZINC000163198636 571532899 /nfs/dbraw/zinc/53/28/99/571532899.db2.gz CGDMPVOOOBIKFA-UHSYMONFSA-N 0 0 662.680 5.945 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163221173 571533341 /nfs/dbraw/zinc/53/33/41/571533341.db2.gz WXXDXJYGRASIDN-JBDHCHCMSA-N 0 0 664.534 5.057 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163224473 571533515 /nfs/dbraw/zinc/53/35/15/571533515.db2.gz KGIUQZGULDXTNC-ISZRBDKASA-N 0 0 650.554 6.568 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223726417 571533632 /nfs/dbraw/zinc/53/36/32/571533632.db2.gz BCEBGWNSNMNXHE-MHZLTWQESA-N 0 0 659.205 5.793 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163226201 571533677 /nfs/dbraw/zinc/53/36/77/571533677.db2.gz XMGRPQHJSHHQCW-JAYSWQADSA-N 0 0 638.496 5.046 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163240278 571533972 /nfs/dbraw/zinc/53/39/72/571533972.db2.gz NETCBMOUNNPDFR-SOJUGJLBSA-N 0 0 808.346 8.093 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163249141 571534053 /nfs/dbraw/zinc/53/40/53/571534053.db2.gz KNHFIXXYAPDJBI-DBHVVYFFSA-N 0 0 741.576 6.707 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163249043 571534094 /nfs/dbraw/zinc/53/40/94/571534094.db2.gz KNHFIXXYAPDJBI-XDYZZPCYSA-N 0 0 741.576 6.707 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163252918 571534245 /nfs/dbraw/zinc/53/42/45/571534245.db2.gz HCXXVUAUHDZBMJ-KOHOJCOXSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163268264 571534578 /nfs/dbraw/zinc/53/45/78/571534578.db2.gz QFXKQGPIRHQPFB-IVQFASICSA-N 0 0 626.090 6.158 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163288970 571534957 /nfs/dbraw/zinc/53/49/57/571534957.db2.gz SWSJHAPPHGILOK-HAWPWTPLSA-N 0 0 710.606 6.586 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163296860 571535131 /nfs/dbraw/zinc/53/51/31/571535131.db2.gz AEOJUFAPDAKBSO-SELCLYCASA-N 0 0 711.550 6.699 40 5 KKBBRN O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163306971 571535390 /nfs/dbraw/zinc/53/53/90/571535390.db2.gz UHNOJLOCRCCVLD-SAGCDJCOSA-N 0 0 650.554 6.568 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163504598 571536235 /nfs/dbraw/zinc/53/62/35/571536235.db2.gz HOOSIYMBYVGPSD-XDYZZPCYSA-N 0 0 650.644 6.075 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163537789 571536397 /nfs/dbraw/zinc/53/63/97/571536397.db2.gz WKZDPSHKVLQRCC-PSAPEEBNSA-N 0 0 666.643 5.683 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163548212 571536537 /nfs/dbraw/zinc/53/65/37/571536537.db2.gz CIFWKOLUPQGDCV-QYIOYSLNSA-N 0 0 793.465 7.087 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224392122 571536540 /nfs/dbraw/zinc/53/65/40/571536540.db2.gz GZAPIICLLDROFF-AREMUKBSSA-N 0 0 537.657 5.522 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163564785 571536651 /nfs/dbraw/zinc/53/66/51/571536651.db2.gz MRBDPGYQYSPPJB-ZFWDJNJRSA-N 0 0 731.394 5.950 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163624198 571538084 /nfs/dbraw/zinc/53/80/84/571538084.db2.gz LKIMHMWOHZQWDA-RWTNITNYSA-N 0 0 757.368 6.897 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223755650 571538871 /nfs/dbraw/zinc/53/88/71/571538871.db2.gz SSATZRCBUBQNRP-HHHXNRCGSA-N 0 0 601.125 5.167 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000163665472 571539632 /nfs/dbraw/zinc/53/96/32/571539632.db2.gz AAFUKNNEARYZQF-ALUWMOPFSA-N 0 0 755.556 5.195 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000163690718 571540250 /nfs/dbraw/zinc/54/02/50/571540250.db2.gz YKNMKXNMEFRZEH-ORVZPOCUSA-N 0 0 725.530 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000163697380 571540667 /nfs/dbraw/zinc/54/06/67/571540667.db2.gz ZETJUOQMTANAAY-IGSNNMATSA-N 0 0 696.785 6.840 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163700676 571540769 /nfs/dbraw/zinc/54/07/69/571540769.db2.gz KHQSGKYURCFXRL-CBYYHRJHSA-N 0 0 640.537 5.451 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163710590 571541264 /nfs/dbraw/zinc/54/12/64/571541264.db2.gz ISPWLPSZPFZFIH-JLKMOJGBSA-N 0 0 645.759 5.406 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224416767 571541609 /nfs/dbraw/zinc/54/16/09/571541609.db2.gz YYXTVXATIHCNSB-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223776311 571542254 /nfs/dbraw/zinc/54/22/54/571542254.db2.gz ZSHZVZGYRJSWPD-ZOYWYXQUSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163741055 571542385 /nfs/dbraw/zinc/54/23/85/571542385.db2.gz WXEMZTLHEMLRGS-VEOKEAFVSA-N 0 0 665.724 5.456 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163751393 571542673 /nfs/dbraw/zinc/54/26/73/571542673.db2.gz VPVVTVQIYNAZMZ-CBZJRHMXSA-N 0 0 708.840 7.955 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000163755314 571542695 /nfs/dbraw/zinc/54/26/95/571542695.db2.gz QFNWDXVVWWRMLB-OTURHAQKSA-N 0 0 666.759 6.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163759813 571542803 /nfs/dbraw/zinc/54/28/03/571542803.db2.gz YLVYHSFQGDTVHW-MFCBUNOESA-N 0 0 636.524 5.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163759223 571542842 /nfs/dbraw/zinc/54/28/42/571542842.db2.gz OHFGMFZGIJNVFL-YVBHXKDBSA-N 0 0 628.663 5.530 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1F ZINC000163771452 571543153 /nfs/dbraw/zinc/54/31/53/571543153.db2.gz ZUCIQLUGMPKICD-XDYZZPCYSA-N 0 0 698.570 6.716 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163768593 571543154 /nfs/dbraw/zinc/54/31/54/571543154.db2.gz VZOPJNSBMYISHR-SAGCDJCOSA-N 0 0 651.722 5.003 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163780844 571543307 /nfs/dbraw/zinc/54/33/07/571543307.db2.gz BUTKGICFVXGRIY-HWANIQDNSA-N 0 0 631.710 5.823 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@H]2C)cc1 ZINC000163941977 571543587 /nfs/dbraw/zinc/54/35/87/571543587.db2.gz FHOCGSYTEDADCO-WVXBCFDCSA-N 0 0 638.189 9.469 40 5 KKBBRN C[C@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000163941164 571543636 /nfs/dbraw/zinc/54/36/36/571543636.db2.gz JYVXLXLGVVOETR-MMTVBGGISA-N 0 0 665.127 7.272 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224427759 571543736 /nfs/dbraw/zinc/54/37/36/571543736.db2.gz JLYPJHOQQYKMLZ-LJAQVGFWSA-N 0 0 691.634 6.280 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164111608 571544275 /nfs/dbraw/zinc/54/42/75/571544275.db2.gz DVTLHBJSUGQJTA-IPAKXIGBSA-N 0 0 717.579 6.760 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000164181019 571544416 /nfs/dbraw/zinc/54/44/16/571544416.db2.gz YWWFHYFUGVPPQC-FZEVDNDPSA-N 0 0 783.610 5.976 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164185530 571544588 /nfs/dbraw/zinc/54/45/88/571544588.db2.gz WOORCWUHOGNCOJ-NBQDTTAVSA-N 0 0 643.718 5.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2=N1 ZINC000164187181 571544604 /nfs/dbraw/zinc/54/46/04/571544604.db2.gz YFFONFZIEFBMNJ-PLMBTIQCSA-N 0 0 674.688 5.204 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000164189175 571544622 /nfs/dbraw/zinc/54/46/22/571544622.db2.gz XRJCWOZFFOBJLM-PNQAETMRSA-N 0 0 673.744 5.092 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223802653 571546830 /nfs/dbraw/zinc/54/68/30/571546830.db2.gz RJBQAXNEXUGOHC-FQEVSTJZSA-N 0 0 651.569 5.357 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224444936 571547579 /nfs/dbraw/zinc/54/75/79/571547579.db2.gz ASPIGTCLNFXRKG-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223805451 571549100 /nfs/dbraw/zinc/54/91/00/571549100.db2.gz SNCOCXHJHQJOEK-RXFWQSSRSA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164518697 571549119 /nfs/dbraw/zinc/54/91/19/571549119.db2.gz AJMOPVVMGNWFKR-VYHDHJBOSA-N 0 0 728.830 7.969 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164537833 571549624 /nfs/dbraw/zinc/54/96/24/571549624.db2.gz XDGMNLWNBPWBOE-GOQPZEPVSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164539467 571549657 /nfs/dbraw/zinc/54/96/57/571549657.db2.gz WOVXVCMADOWPHH-DFXMODJXSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164552109 571549719 /nfs/dbraw/zinc/54/97/19/571549719.db2.gz RDDDJZDVIRADJV-KMCFWPMWSA-N 0 0 899.501 6.641 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164552672 571549809 /nfs/dbraw/zinc/54/98/09/571549809.db2.gz SZSZHIUSYYTUJQ-QZVQSRICSA-N 0 0 803.631 6.045 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164554740 571549960 /nfs/dbraw/zinc/54/99/60/571549960.db2.gz MLSSTYYYIOVPIC-GNZKFENCSA-N 0 0 711.752 6.225 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164554867 571549996 /nfs/dbraw/zinc/54/99/96/571549996.db2.gz MLSSTYYYIOVPIC-HGGMLFSRSA-N 0 0 711.752 6.225 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224458746 571550662 /nfs/dbraw/zinc/55/06/62/571550662.db2.gz CNBPHWBFQNSLDT-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000164754924 571550905 /nfs/dbraw/zinc/55/09/05/571550905.db2.gz SGQVWXGBXVHTID-VNOBABJFSA-N 0 0 636.129 6.468 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000164764017 571550990 /nfs/dbraw/zinc/55/09/90/571550990.db2.gz JPBGBEHGJYNVOJ-UHFFFAOYSA-N 0 0 679.636 8.782 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223813015 571552509 /nfs/dbraw/zinc/55/25/09/571552509.db2.gz INWFDFGXPIGRBW-RXFWQSSRSA-N 0 0 598.494 5.300 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223813000 571552590 /nfs/dbraw/zinc/55/25/90/571552590.db2.gz INWFDFGXPIGRBW-FQRUVTKNSA-N 0 0 598.494 5.300 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1 ZINC000166334715 571552657 /nfs/dbraw/zinc/55/26/57/571552657.db2.gz MIAWJNHILMHNGQ-JOCHJYFZSA-N 0 0 565.681 5.013 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223815852 571553803 /nfs/dbraw/zinc/55/38/03/571553803.db2.gz ZZXORKOLHAXEGL-HRFSGMKKSA-N 0 0 588.557 6.690 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224492200 571559191 /nfs/dbraw/zinc/55/91/91/571559191.db2.gz PDYMWCGBZVGGJI-SANMLTNESA-N 0 0 598.563 6.145 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223841283 571560030 /nfs/dbraw/zinc/56/00/30/571560030.db2.gz LUUYSABRLCZAJN-SIBVEZHUSA-N 0 0 588.488 5.844 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224497707 571560598 /nfs/dbraw/zinc/56/05/98/571560598.db2.gz LPSYSRWLGYPSKK-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224497752 571560606 /nfs/dbraw/zinc/56/06/06/571560606.db2.gz LPSYSRWLGYPSKK-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224497588 571560619 /nfs/dbraw/zinc/56/06/19/571560619.db2.gz YPUUFGUJFUODDP-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000170620926 571562641 /nfs/dbraw/zinc/56/26/41/571562641.db2.gz RIYNVJGXIKZELI-OAIYOMOFSA-N 0 0 577.127 7.692 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223862586 571563827 /nfs/dbraw/zinc/56/38/27/571563827.db2.gz QAHDVQYMKKMWHI-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223863478 571563971 /nfs/dbraw/zinc/56/39/71/571563971.db2.gz YXKOFFPRTMZTEZ-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN O=c1/c(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 ZINC000197725252 571564376 /nfs/dbraw/zinc/56/43/76/571564376.db2.gz GMDZMPFDJZLJAN-JAIQZWGSSA-N 0 0 542.798 5.360 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224516343 571564447 /nfs/dbraw/zinc/56/44/47/571564447.db2.gz VBVSGKZTSKVNAX-VWLOTQADSA-N 0 0 598.494 5.300 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000197764090 571564532 /nfs/dbraw/zinc/56/45/32/571564532.db2.gz YEJCNYBXIVNJRE-JOCHJYFZSA-N 0 0 634.571 6.494 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000197764296 571564602 /nfs/dbraw/zinc/56/46/02/571564602.db2.gz NWPJJMGACJUPDO-QHCPKHFHSA-N 0 0 579.708 5.496 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000197825706 571564916 /nfs/dbraw/zinc/56/49/16/571564916.db2.gz FOLVUGKKYMZQHB-UHFFFAOYSA-N 0 0 635.507 5.536 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197824614 571564976 /nfs/dbraw/zinc/56/49/76/571564976.db2.gz HPGDPLAUAIHAIA-UHFFFAOYSA-N 0 0 669.059 5.902 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223875142 571566111 /nfs/dbraw/zinc/56/61/11/571566111.db2.gz WHLXWMLSZSQOMF-MUUNZHRXSA-N 0 0 679.623 6.138 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198320639 571567906 /nfs/dbraw/zinc/56/79/06/571567906.db2.gz WIJYDSWZTMTTKQ-UHFFFAOYSA-N 0 0 669.059 5.902 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205653268 571569551 /nfs/dbraw/zinc/56/95/51/571569551.db2.gz VIESTXHTRZMPCO-HCGXMYGOSA-N 0 0 585.934 5.923 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000205659144 571569570 /nfs/dbraw/zinc/56/95/70/571569570.db2.gz OETUVCFQVKZNOL-QPJQQBGISA-N 0 0 578.908 7.025 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205665820 571569732 /nfs/dbraw/zinc/56/97/32/571569732.db2.gz DQUSQOLZQFEGLF-FOKLQQMPSA-N 0 0 596.942 7.834 40 5 KKBBRN O=C1S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205687284 571569865 /nfs/dbraw/zinc/56/98/65/571569865.db2.gz VADKVKYZLNCJHJ-SRZZPIQSSA-N 0 0 698.276 6.620 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205680217 571569926 /nfs/dbraw/zinc/56/99/26/571569926.db2.gz ZBRGLWFSBOOQEN-YDZHTSKRSA-N 0 0 614.430 6.480 40 5 KKBBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000205703158 571570223 /nfs/dbraw/zinc/57/02/23/571570223.db2.gz GLEFWEDWQXJVLD-BRJLIKDPSA-N 0 0 504.608 6.308 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000205699939 571570253 /nfs/dbraw/zinc/57/02/53/571570253.db2.gz MMMGGBQXJCIXNP-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000205751076 571570651 /nfs/dbraw/zinc/57/06/51/571570651.db2.gz XDHCIBYMQXIOPN-YDZHTSKRSA-N 0 0 602.406 6.024 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000205755611 571570692 /nfs/dbraw/zinc/57/06/92/571570692.db2.gz MABHAPFHPSVNHB-RGVLZGJSSA-N 0 0 589.367 5.632 40 5 KKBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223900778 571570964 /nfs/dbraw/zinc/57/09/64/571570964.db2.gz KZNHHRLMEWWRQF-GOSISDBHSA-N 0 0 671.987 5.621 40 5 KKBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223900842 571571225 /nfs/dbraw/zinc/57/12/25/571571225.db2.gz KZNHHRLMEWWRQF-SFHVURJKSA-N 0 0 671.987 5.621 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205805972 571571566 /nfs/dbraw/zinc/57/15/66/571571566.db2.gz NSEBXZJWRDMTAZ-HYARGMPZSA-N 0 0 604.479 5.384 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224547870 571571850 /nfs/dbraw/zinc/57/18/50/571571850.db2.gz NBVXBHWRTZWZNH-VWLOTQADSA-N 0 0 588.488 5.844 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCC1 ZINC000205870811 571571861 /nfs/dbraw/zinc/57/18/61/571571861.db2.gz IRSBMBINDZRWAG-VXLYETTFSA-N 0 0 600.369 5.827 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223908551 571572783 /nfs/dbraw/zinc/57/27/83/571572783.db2.gz GPOOEQBSWVGLBW-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223911351 571573550 /nfs/dbraw/zinc/57/35/50/571573550.db2.gz LPRDMUAMMHBEKX-CCLHPLFOSA-N 0 0 588.557 6.690 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000209535882 571575260 /nfs/dbraw/zinc/57/52/60/571575260.db2.gz QXARBYPHFJHOFJ-YDZHTSKRSA-N 0 0 535.375 7.007 40 5 KKBBRN O=C(CSc1ccc(NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000210089567 571575478 /nfs/dbraw/zinc/57/54/78/571575478.db2.gz VXPWMQBSKKYABZ-OFWBYEQRSA-N 0 0 618.671 6.995 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223920100 571575636 /nfs/dbraw/zinc/57/56/36/571575636.db2.gz LRBVIXATKPRXHE-NDEPHWFRSA-N 0 0 679.623 6.138 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224567286 571576256 /nfs/dbraw/zinc/57/62/56/571576256.db2.gz XODKCNOVVBXUEK-AREMUKBSSA-N 0 0 635.570 5.222 40 5 KKBBRN Cc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 ZINC000211441698 571576356 /nfs/dbraw/zinc/57/63/56/571576356.db2.gz SYMFRJMNEPLATG-NTJADAFJSA-N 0 0 606.660 5.737 40 5 KKBBRN COc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)ccc1Br ZINC000211443001 571576466 /nfs/dbraw/zinc/57/64/66/571576466.db2.gz IVZFXLPEQIKWJN-KEPJHFNWSA-N 0 0 701.555 6.200 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214077040 571577421 /nfs/dbraw/zinc/57/74/21/571577421.db2.gz DHTCKWXXYDDYMD-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1Cl ZINC000214116235 571577740 /nfs/dbraw/zinc/57/77/40/571577740.db2.gz BEKIXECYMNDIEJ-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214151151 571577886 /nfs/dbraw/zinc/57/78/86/571577886.db2.gz SJBWHSUVDSBTPF-OEAKJJBVSA-N 0 0 569.433 6.572 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214339186 571578625 /nfs/dbraw/zinc/57/86/25/571578625.db2.gz YZWGRTJJCKSVRK-SSDVNMTOSA-N 0 0 548.470 6.790 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214369840 571578769 /nfs/dbraw/zinc/57/87/69/571578769.db2.gz JTCTYHLNUNHGSL-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214408124 571579008 /nfs/dbraw/zinc/57/90/08/571579008.db2.gz ITAWOPXYYZLBKP-ODCIPOBUSA-N 0 0 648.240 8.712 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214438556 571579217 /nfs/dbraw/zinc/57/92/17/571579217.db2.gz SJCOTOGPRGPWTA-ZVBGSRNCSA-N 0 0 546.344 6.839 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214569781 571579547 /nfs/dbraw/zinc/57/95/47/571579547.db2.gz DDKVBKGZVHNIEZ-MFKUBSTISA-N 0 0 504.564 6.117 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214613339 571579680 /nfs/dbraw/zinc/57/96/80/571579680.db2.gz YICXQWZOGHHKSF-ZVHZXABRSA-N 0 0 583.460 6.880 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214666665 571580140 /nfs/dbraw/zinc/58/01/40/571580140.db2.gz DONOGRHGYSVYHS-YDZHTSKRSA-N 0 0 564.532 5.369 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214677498 571580348 /nfs/dbraw/zinc/58/03/48/571580348.db2.gz NCPGUUNJWDWCMR-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1 ZINC000214674489 571580408 /nfs/dbraw/zinc/58/04/08/571580408.db2.gz PCQBNSXKONVRSR-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214709170 571580560 /nfs/dbraw/zinc/58/05/60/571580560.db2.gz WSVNQLKXWVQPSK-FOKLQQMPSA-N 0 0 613.397 8.348 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214767767 571580823 /nfs/dbraw/zinc/58/08/23/571580823.db2.gz YBNXFOTXOQOQIH-FSJBWODESA-N 0 0 545.400 6.726 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214717797 571580857 /nfs/dbraw/zinc/58/08/57/571580857.db2.gz IOYLWTNLYXLJDS-FOKLQQMPSA-N 0 0 545.400 6.726 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214774500 571580965 /nfs/dbraw/zinc/58/09/65/571580965.db2.gz JVJMHHRNLBKWMH-FSJBWODESA-N 0 0 545.400 6.726 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214810116 571581096 /nfs/dbraw/zinc/58/10/96/571581096.db2.gz BNWNDOPDASMMDT-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214808579 571581157 /nfs/dbraw/zinc/58/11/57/571581157.db2.gz MZHKPWKOKURHHE-FOKLQQMPSA-N 0 0 613.397 8.348 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224587284 571581202 /nfs/dbraw/zinc/58/12/02/571581202.db2.gz SXBKTVXHGOICLZ-VWLOTQADSA-N 0 0 542.463 5.999 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223947911 571581376 /nfs/dbraw/zinc/58/13/76/571581376.db2.gz OLKOWZBLIVQOFF-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214849035 571581428 /nfs/dbraw/zinc/58/14/28/571581428.db2.gz OPNXKTAFRPILEO-AUEPDCJTSA-N 0 0 624.296 7.488 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc21 ZINC000214846387 571581431 /nfs/dbraw/zinc/58/14/31/571581431.db2.gz KUBLJDJMSJCMDC-DHRITJCHSA-N 0 0 629.410 8.558 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214909926 571581758 /nfs/dbraw/zinc/58/17/58/571581758.db2.gz DKOUKDPBHMDYJX-SSDVNMTOSA-N 0 0 586.376 6.303 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214899691 571581764 /nfs/dbraw/zinc/58/17/64/571581764.db2.gz MLYIXKGGJHWRRI-SRZZPIQSSA-N 0 0 586.376 6.303 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214972481 571582233 /nfs/dbraw/zinc/58/22/33/571582233.db2.gz MBUAHZBIDIWHMV-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000215001448 571582430 /nfs/dbraw/zinc/58/24/30/571582430.db2.gz USZGXLKTJIWDBB-HZHRSRAPSA-N 0 0 506.536 6.048 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215119412 571583284 /nfs/dbraw/zinc/58/32/84/571583284.db2.gz OUUMPUVXKXCYBI-DJKKODMXSA-N 0 0 537.750 6.646 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215147104 571583438 /nfs/dbraw/zinc/58/34/38/571583438.db2.gz JLRWFWSDSVFXBJ-UFFVCSGVSA-N 0 0 529.889 6.324 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(I)cc1 ZINC000215221047 571583966 /nfs/dbraw/zinc/58/39/66/571583966.db2.gz FMYGWMICZIXUDJ-LPYMAVHISA-N 0 0 572.380 6.015 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215235640 571584220 /nfs/dbraw/zinc/58/42/20/571584220.db2.gz JXPXFMGMUJPFHI-IFRROFPPSA-N 0 0 519.318 6.127 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223968965 571585671 /nfs/dbraw/zinc/58/56/71/571585671.db2.gz LHESGWHETVOEDU-MHZLTWQESA-N 0 0 675.204 5.493 40 5 KKBBRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000215903467 571586944 /nfs/dbraw/zinc/58/69/44/571586944.db2.gz NRSRACYZROFBOB-UHFFFAOYSA-N 0 0 596.445 5.229 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223984295 571588891 /nfs/dbraw/zinc/58/88/91/571588891.db2.gz SPDPXZKRHKLYNR-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223984082 571589000 /nfs/dbraw/zinc/58/90/00/571589000.db2.gz KYODYELIQLUTPR-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224650181 571595107 /nfs/dbraw/zinc/59/51/07/571595107.db2.gz KMQBYRANHBZJND-VMPREFPWSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224031099 571598393 /nfs/dbraw/zinc/59/83/93/571598393.db2.gz IPNRWOYKADBSRG-JGCGQSQUSA-N 0 0 628.751 5.265 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224673178 571600363 /nfs/dbraw/zinc/60/03/63/571600363.db2.gz SQZBKTKILMTQIQ-MHZLTWQESA-N 0 0 601.125 5.023 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224042265 571600746 /nfs/dbraw/zinc/60/07/46/571600746.db2.gz NVNWGFZPGOKQKS-UUWRZZSWSA-N 0 0 672.804 5.582 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224681604 571602563 /nfs/dbraw/zinc/60/25/63/571602563.db2.gz IGDTVRZVELNHPT-XZWHSSHBSA-N 0 0 547.640 7.058 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224687228 571604222 /nfs/dbraw/zinc/60/42/22/571604222.db2.gz UXVCPAYUDCRHFI-JOCHJYFZSA-N 0 0 631.151 5.012 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224687575 571604340 /nfs/dbraw/zinc/60/43/40/571604340.db2.gz DGMOFMCLWAAXSI-NRFANRHFSA-N 0 0 661.152 5.376 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 ZINC000224687706 571604354 /nfs/dbraw/zinc/60/43/54/571604354.db2.gz BUVCVSMGJBHIIP-JSOSNVBQSA-N 0 0 578.650 7.536 40 5 KKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] ZINC000222308411 571605049 /nfs/dbraw/zinc/60/50/49/571605049.db2.gz JXWRLZKRBGOJKN-SSVHHLKVSA-N 0 0 527.374 5.781 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224072748 571606583 /nfs/dbraw/zinc/60/65/83/571606583.db2.gz FCELKBISWMBBES-SXOMAYOGSA-N 0 0 581.050 6.114 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224101970 571610240 /nfs/dbraw/zinc/61/02/40/571610240.db2.gz SGIFCJOXNVAJIO-NRFANRHFSA-N 0 0 675.602 5.202 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000224104179 571610489 /nfs/dbraw/zinc/61/04/89/571610489.db2.gz XLCQEZOPSWDZDL-RRPNLBNLSA-N 0 0 540.649 5.861 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000224107251 571610980 /nfs/dbraw/zinc/61/09/80/571610980.db2.gz IGAQKPOPKSRYJI-KAYWLYCHSA-N 0 0 541.633 6.330 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 ZINC000224111184 571611285 /nfs/dbraw/zinc/61/12/85/571611285.db2.gz JFZFDCICLOGRCM-WUFINQPMSA-N 0 0 571.659 6.338 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 ZINC000224111126 571611305 /nfs/dbraw/zinc/61/13/05/571611305.db2.gz JFZFDCICLOGRCM-IZLXSDGUSA-N 0 0 571.659 6.338 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000224114881 571611617 /nfs/dbraw/zinc/61/16/17/571611617.db2.gz VBQZZIZEOUEGKE-SVBPBHIXSA-N 0 0 541.633 6.330 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 ZINC000224756065 571614302 /nfs/dbraw/zinc/61/43/02/571614302.db2.gz AQEHKNWULXQPQM-JSOSNVBQSA-N 0 0 594.649 7.236 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224760184 571614633 /nfs/dbraw/zinc/61/46/33/571614633.db2.gz XMDAAUFEZXAWEP-JOCHJYFZSA-N 0 0 631.151 5.012 40 5 KKBBRN Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224760858 571614701 /nfs/dbraw/zinc/61/47/01/571614701.db2.gz WSRHYOVRMXKJAT-GOTSBHOMSA-N 0 0 504.662 6.688 40 5 KKBBRN Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I ZINC000224763096 571614909 /nfs/dbraw/zinc/61/49/09/571614909.db2.gz XUNQGYMLSWNCEA-DQEYMECFSA-N 0 0 627.533 6.868 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 ZINC000224764016 571614974 /nfs/dbraw/zinc/61/49/74/571614974.db2.gz QLOSRGOKXGWNGW-CONSDPRKSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000224764380 571615006 /nfs/dbraw/zinc/61/50/06/571615006.db2.gz VXFCENXBXMFEDA-URLMMPGGSA-N 0 0 564.696 6.812 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224765129 571615104 /nfs/dbraw/zinc/61/51/04/571615104.db2.gz YHELDBCHFXKXDB-MUUNZHRXSA-N 0 0 531.678 5.527 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 ZINC000224768270 571615279 /nfs/dbraw/zinc/61/52/79/571615279.db2.gz VRPBBOVLQJBATP-FAQZDJIUSA-N 0 0 557.701 6.299 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3ccco3)cc2)cc1 ZINC000224768604 571615302 /nfs/dbraw/zinc/61/53/02/571615302.db2.gz BCGLYOXTEJIAFQ-VSGBNLITSA-N 0 0 553.669 6.761 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C ZINC000224769852 571615456 /nfs/dbraw/zinc/61/54/56/571615456.db2.gz LZNQUXJAIYGTPO-VSGBNLITSA-N 0 0 543.718 7.317 40 5 KKBBRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780868 571616397 /nfs/dbraw/zinc/61/63/97/571616397.db2.gz LOSXTAFNOOXJED-XZWHSSHBSA-N 0 0 563.708 7.417 40 5 KKBBRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780830 571616411 /nfs/dbraw/zinc/61/64/11/571616411.db2.gz LOSXTAFNOOXJED-IHLOFXLRSA-N 0 0 563.708 7.417 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224781389 571616470 /nfs/dbraw/zinc/61/64/70/571616470.db2.gz BZIGLDIWNVVBRK-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 ZINC000224782245 571616546 /nfs/dbraw/zinc/61/65/46/571616546.db2.gz JLMNWHZBZSSKAH-WDYNHAJCSA-N 0 0 628.577 7.871 40 5 KKBBRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224782698 571616615 /nfs/dbraw/zinc/61/66/15/571616615.db2.gz FVAJKRQXIZNLAA-XZWHSSHBSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 ZINC000224785249 571616929 /nfs/dbraw/zinc/61/69/29/571616929.db2.gz NMGFUSBQBVLBKN-VMPREFPWSA-N 0 0 582.732 8.062 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 ZINC000224787501 571617113 /nfs/dbraw/zinc/61/71/13/571617113.db2.gz QFQPHKLVNQIRGW-URLMMPGGSA-N 0 0 619.555 8.885 40 5 KKBBRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224788240 571617183 /nfs/dbraw/zinc/61/71/83/571617183.db2.gz PHTYVGMLGYKRIX-IHLOFXLRSA-N 0 0 599.137 8.540 40 5 KKBBRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 ZINC000224788638 571617235 /nfs/dbraw/zinc/61/72/35/571617235.db2.gz IFPLCYJUZYHQQJ-IHLOFXLRSA-N 0 0 643.588 8.649 40 5 KKBBRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 ZINC000224788720 571617240 /nfs/dbraw/zinc/61/72/40/571617240.db2.gz IFPLCYJUZYHQQJ-KYJUHHDHSA-N 0 0 643.588 8.649 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 ZINC000224790641 571617360 /nfs/dbraw/zinc/61/73/60/571617360.db2.gz ZNZICFDJQCKYJJ-WDYNHAJCSA-N 0 0 555.729 7.625 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224790530 571617387 /nfs/dbraw/zinc/61/73/87/571617387.db2.gz KRSLTUGANRUZTA-NDEPHWFRSA-N 0 0 679.623 5.994 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224791948 571617506 /nfs/dbraw/zinc/61/75/06/571617506.db2.gz IDGLBFVGWZSRBL-LJAQVGFWSA-N 0 0 545.705 5.835 40 5 KKBBRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224792401 571617579 /nfs/dbraw/zinc/61/75/79/571617579.db2.gz JOWKYAVLOOVXFN-IHLOFXLRSA-N 0 0 607.717 6.895 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224793015 571617639 /nfs/dbraw/zinc/61/76/39/571617639.db2.gz OLVZJVQJYOBEEB-URLMMPGGSA-N 0 0 595.662 7.486 40 5 KKBBRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 ZINC000224793482 571617653 /nfs/dbraw/zinc/61/76/53/571617653.db2.gz LNKMRMBBAWCETI-LOYHVIPDSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224822542 571620418 /nfs/dbraw/zinc/62/04/18/571620418.db2.gz QORCNQRIJOVQCZ-MHZLTWQESA-N 0 0 519.667 5.301 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000224825917 571620800 /nfs/dbraw/zinc/62/08/00/571620800.db2.gz QBRGUZMRCLPRLI-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O ZINC000224833628 571621605 /nfs/dbraw/zinc/62/16/05/571621605.db2.gz BEDKMZYHRDPSGG-UHFFFAOYSA-N 0 0 545.573 5.721 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224854364 571623513 /nfs/dbraw/zinc/62/35/13/571623513.db2.gz MXPQEMXTJIYPPJ-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224857553 571623773 /nfs/dbraw/zinc/62/37/73/571623773.db2.gz DEWLQMBFMIWRGV-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224857647 571623828 /nfs/dbraw/zinc/62/38/28/571623828.db2.gz ASZOGYYFRPBSDE-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224860303 571624078 /nfs/dbraw/zinc/62/40/78/571624078.db2.gz HCBMBBQKNVSTLY-NDEPHWFRSA-N 0 0 679.623 5.994 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224879986 571626072 /nfs/dbraw/zinc/62/60/72/571626072.db2.gz GEXOSRNUVLKITK-WJOKGBTCSA-N 0 0 649.169 5.608 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224880492 571626086 /nfs/dbraw/zinc/62/60/86/571626086.db2.gz YYAZJMHXJLIXQF-UMSFTDKQSA-N 0 0 753.705 7.113 40 5 KKBBRN 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571911785 /nfs/dbraw/zinc/91/17/85/571911785.db2.gz UWUJJUQCPQFQGX-SSEXGKCCSA-N 0 0 675.635 6.065 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225558067 571920084 /nfs/dbraw/zinc/92/00/84/571920084.db2.gz AJDVFJUHNSVZRV-VSGBNLITSA-N 0 0 541.633 5.814 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225561489 571923572 /nfs/dbraw/zinc/92/35/72/571923572.db2.gz ZFHMKAISMODFQC-SANMLTNESA-N 0 0 598.494 5.301 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260957177 571925823 /nfs/dbraw/zinc/92/58/23/571925823.db2.gz GNMGXSXYXFBXFY-HHHXNRCGSA-N 0 0 649.597 5.531 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260964240 571936625 /nfs/dbraw/zinc/93/66/25/571936625.db2.gz HMQWQTFAFGVCHV-PGUFJCEWSA-N 0 0 763.711 6.569 40 5 KKBBRN 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ZINC000225622617 571973192 /nfs/dbraw/zinc/97/31/92/571973192.db2.gz QQONZFBDDROAAI-UUWRZZSWSA-N 0 0 741.694 6.970 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225623043 571974099 /nfs/dbraw/zinc/97/40/99/571974099.db2.gz XQOOGUNQGGWHLF-IBGZPJMESA-N 0 0 686.014 6.009 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225623516 571974562 /nfs/dbraw/zinc/97/45/62/571974562.db2.gz XRQGJMOSIOLDAA-MHZLTWQESA-N 0 0 635.570 5.224 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260994597 571976574 /nfs/dbraw/zinc/97/65/74/571976574.db2.gz OIJZVWQTNQTXMG-UUWRZZSWSA-N 0 0 798.156 7.222 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225636667 571988312 /nfs/dbraw/zinc/98/83/12/571988312.db2.gz HCYLETQTWGVIML-MUUNZHRXSA-N 0 0 549.693 5.393 40 5 KKBBRN 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PRPWIDVFMKSUFJ-NSOVKSMOSA-N 0 0 573.631 5.268 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225682057 572019617 /nfs/dbraw/zinc/01/96/17/572019617.db2.gz FVDDCPBZDIBNNF-RXFWQSSRSA-N 0 0 714.068 6.789 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225691836 572026523 /nfs/dbraw/zinc/02/65/23/572026523.db2.gz MNGXZVNXPFGXFM-QRWLVFNGSA-N 0 0 526.417 5.011 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225692655 572026930 /nfs/dbraw/zinc/02/69/30/572026930.db2.gz NGCAWLXAJAGXKB-KAYWLYCHSA-N 0 0 526.622 5.090 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261029059 572029460 /nfs/dbraw/zinc/02/94/60/572029460.db2.gz WWPOPWDVWPYBGZ-PMACEKPBSA-N 0 0 700.041 6.399 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261032600 572034365 /nfs/dbraw/zinc/03/43/65/572034365.db2.gz JPVQFCNWWDDWFR-FOPBOCKXSA-N 0 0 721.276 6.624 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225718002 572045663 /nfs/dbraw/zinc/04/56/63/572045663.db2.gz AHCSQCGPRDYJOC-QFIPXVFZSA-N 0 0 675.602 5.059 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225718738 572046131 /nfs/dbraw/zinc/04/61/31/572046131.db2.gz FMBLNLQSFHXCNH-MGPUTAFESA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261042881 572047104 /nfs/dbraw/zinc/04/71/04/572047104.db2.gz YXHIVQQWIQYHRQ-SFTDATJTSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261044507 572049032 /nfs/dbraw/zinc/04/90/32/572049032.db2.gz ZAQWBQMMIJZHGL-VXKWHMMOSA-N 0 0 661.177 5.101 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225745153 572059010 /nfs/dbraw/zinc/05/90/10/572059010.db2.gz RQYIFKSFUHDRIB-FOIQADDNSA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225745223 572059103 /nfs/dbraw/zinc/05/91/03/572059103.db2.gz RQYIFKSFUHDRIB-YWZLYKJASA-N 0 0 526.417 5.011 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225747193 572059523 /nfs/dbraw/zinc/05/95/23/572059523.db2.gz UEKBETVLKCJZHU-MUUNZHRXSA-N 0 0 533.694 5.549 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261058023 572060992 /nfs/dbraw/zinc/06/09/92/572060992.db2.gz NFGFCAJHTXUBNH-YJNPBZNESA-N 0 0 721.276 6.624 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261061436 572062777 /nfs/dbraw/zinc/06/27/77/572062777.db2.gz NUELHNIUVSEGSR-SFRLIIPVSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261070243 572069015 /nfs/dbraw/zinc/06/90/15/572069015.db2.gz PMXCUUBWRMPDJC-SFRLIIPVSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261097017 572085037 /nfs/dbraw/zinc/08/50/37/572085037.db2.gz VECAAXYMFHXMLG-UBOZLPQGSA-N 0 0 658.777 5.354 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261097015 572085180 /nfs/dbraw/zinc/08/51/80/572085180.db2.gz VECAAXYMFHXMLG-NYFMKLKXSA-N 0 0 658.777 5.354 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000261108902 572093309 /nfs/dbraw/zinc/09/33/09/572093309.db2.gz XIKRCLIJICDFGW-MGBGTMOVSA-N 0 0 658.777 5.211 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000299888461 572141128 /nfs/dbraw/zinc/14/11/28/572141128.db2.gz KBPHJBAIARWVSC-XNMDAKKHSA-N 0 0 568.886 10.403 40 5 KKBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000229766808 572159621 /nfs/dbraw/zinc/15/96/21/572159621.db2.gz OKFBKUZRCISHQN-RTBSUHMLSA-N 0 0 537.403 5.887 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408529591 572168878 /nfs/dbraw/zinc/16/88/78/572168878.db2.gz MRNAMGDZMKLMNZ-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408530854 572173518 /nfs/dbraw/zinc/17/35/18/572173518.db2.gz RVJPYOGUYSCYJC-PGUFJCEWSA-N 0 0 648.741 7.469 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408532493 572179958 /nfs/dbraw/zinc/17/99/58/572179958.db2.gz ZBYSVKCYBCEGPI-UMSFTDKQSA-N 0 0 618.715 7.378 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 ZINC000408543611 572213323 /nfs/dbraw/zinc/21/33/23/572213323.db2.gz PHTQNZKOYIIEEH-TWGQIWQCSA-N 0 0 540.741 6.297 40 5 KKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 ZINC000408545286 572218464 /nfs/dbraw/zinc/21/84/64/572218464.db2.gz XKFJUPOUYALTRU-CMDGGOBGSA-N 0 0 506.296 5.562 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408545461 572219166 /nfs/dbraw/zinc/21/91/66/572219166.db2.gz QWRUCYNONDRMCI-UHFFFAOYSA-N 0 0 623.316 6.965 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408546563 572223657 /nfs/dbraw/zinc/22/36/57/572223657.db2.gz UJYGCCNYBKNKLB-UHFFFAOYSA-N 0 0 531.590 5.838 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408550514 572234235 /nfs/dbraw/zinc/23/42/35/572234235.db2.gz DBAMYSDEJPUECX-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCCC1 ZINC000408550421 572234250 /nfs/dbraw/zinc/23/42/50/572234250.db2.gz HCXHQMYKTSBWLN-YBFXNURJSA-N 0 0 536.393 5.139 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c1 ZINC000408553551 572241024 /nfs/dbraw/zinc/24/10/24/572241024.db2.gz AORYENPUDNENFN-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408555182 572242517 /nfs/dbraw/zinc/24/25/17/572242517.db2.gz WBWMCWAMNSURCN-UHFFFAOYSA-N 0 0 532.334 5.738 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408556486 572243925 /nfs/dbraw/zinc/24/39/25/572243925.db2.gz IZBWYKLZRHEJRQ-UHFFFAOYSA-N 0 0 580.291 5.819 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556643 572244043 /nfs/dbraw/zinc/24/40/43/572244043.db2.gz JWQUNNXMJUHVDT-QFIPXVFZSA-N 0 0 524.904 6.847 40 5 KKBBRN Cc1ccc(COc2c(Br)cc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408558751 572246054 /nfs/dbraw/zinc/24/60/54/572246054.db2.gz VLPYCJWPDNZIFV-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408558914 572246385 /nfs/dbraw/zinc/24/63/85/572246385.db2.gz TUTBEWJQTAPDNT-JOCHJYFZSA-N 0 0 650.800 7.451 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563404 572249323 /nfs/dbraw/zinc/24/93/23/572249323.db2.gz AJSSSZJSVGEXLK-CWWSAELMSA-N 0 0 542.394 5.766 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564145 572250102 /nfs/dbraw/zinc/25/01/02/572250102.db2.gz RZANIHSELDVKLM-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563943 572250129 /nfs/dbraw/zinc/25/01/29/572250129.db2.gz BSKBDHALUBVRIJ-BYGVMDBSSA-N 0 0 631.321 5.711 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564464 572250331 /nfs/dbraw/zinc/25/03/31/572250331.db2.gz CZXSVYHGKARFFI-XABOBXATSA-N 0 0 598.881 5.745 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408564764 572250857 /nfs/dbraw/zinc/25/08/57/572250857.db2.gz AAYKVIZBGIBPFQ-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408564785 572251022 /nfs/dbraw/zinc/25/10/22/572251022.db2.gz AFHMDQDVKIIFHO-GDLZYMKVSA-N 0 0 575.090 7.470 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408564855 572251068 /nfs/dbraw/zinc/25/10/68/572251068.db2.gz AOMZNPGOFKHBEA-AREMUKBSSA-N 0 0 522.602 6.029 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408564904 572251274 /nfs/dbraw/zinc/25/12/74/572251274.db2.gz ARZIJLXREJOAIW-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408564967 572251420 /nfs/dbraw/zinc/25/14/20/572251420.db2.gz AVBYWQDZCRKZDY-MUUNZHRXSA-N 0 0 605.514 7.189 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408565086 572251746 /nfs/dbraw/zinc/25/17/46/572251746.db2.gz BDJYXDDGRHDGDB-SANMLTNESA-N 0 0 520.611 5.590 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565177 572251748 /nfs/dbraw/zinc/25/17/48/572251748.db2.gz INJIZEBSMJNLEB-SIJZCSJPSA-N 0 0 596.453 5.620 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000408565107 572251777 /nfs/dbraw/zinc/25/17/77/572251777.db2.gz BEPKSQQSZLSLAJ-HSZRJFAPSA-N 0 0 570.425 5.936 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565135 572251830 /nfs/dbraw/zinc/25/18/30/572251830.db2.gz BHJCUXFLFNFUQN-OAQYLSRUSA-N 0 0 529.818 6.970 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565204 572252010 /nfs/dbraw/zinc/25/20/10/572252010.db2.gz BHOSLNHZMYMHPW-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408565217 572252031 /nfs/dbraw/zinc/25/20/31/572252031.db2.gz BHWWYNLSFNUZOQ-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(C)cc1 ZINC000408565246 572252044 /nfs/dbraw/zinc/25/20/44/572252044.db2.gz BLGRHTAYMXJMQU-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408565332 572252422 /nfs/dbraw/zinc/25/24/22/572252422.db2.gz BRDALUZSSUVUQZ-XMMPIXPASA-N 0 0 555.454 6.036 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408565351 572252477 /nfs/dbraw/zinc/25/24/77/572252477.db2.gz BTXGFUAWPHQMIZ-MHZLTWQESA-N 0 0 587.529 7.587 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 ZINC000408565297 572252484 /nfs/dbraw/zinc/25/24/84/572252484.db2.gz BPZNNAFVBZHAMR-DEOSSOPVSA-N 0 0 556.000 5.835 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565306 572252486 /nfs/dbraw/zinc/25/24/86/572252486.db2.gz BQMLICDWAVZVAO-HSZRJFAPSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)c(Br)cc1OC ZINC000408565440 572252522 /nfs/dbraw/zinc/25/25/22/572252522.db2.gz BWIIZRGGJSOUEU-HXUWFJFHSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408565560 572252733 /nfs/dbraw/zinc/25/27/33/572252733.db2.gz CKMQMBBNAGWOEV-HXUWFJFHSA-N 0 0 521.437 5.472 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408565522 572252810 /nfs/dbraw/zinc/25/28/10/572252810.db2.gz CDXFLHUYZKKGRD-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000408565546 572252830 /nfs/dbraw/zinc/25/28/30/572252830.db2.gz CGWNPXPRVJICBJ-RUZDIDTESA-N 0 0 583.508 6.734 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565507 572252834 /nfs/dbraw/zinc/25/28/34/572252834.db2.gz LAHAGXJDTNRDCM-LADVCJOISA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565516 572252850 /nfs/dbraw/zinc/25/28/50/572252850.db2.gz LFSJWGRUDUUOOB-OTGIWPJISA-N 0 0 621.315 6.256 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565604 572252925 /nfs/dbraw/zinc/25/29/25/572252925.db2.gz LNEGAFYGSOXHAB-GFNGZDJJSA-N 0 0 566.452 5.257 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565703 572253023 /nfs/dbraw/zinc/25/30/23/572253023.db2.gz LTIXNVKCZXXZOM-BQGAEBSMSA-N 0 0 582.426 5.230 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565691 572253025 /nfs/dbraw/zinc/25/30/25/572253025.db2.gz CTQLLGAWICWRHM-QHCPKHFHSA-N 0 0 612.308 7.473 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 ZINC000408565695 572253049 /nfs/dbraw/zinc/25/30/49/572253049.db2.gz CUKGPFVAKRDQRO-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565664 572253077 /nfs/dbraw/zinc/25/30/77/572253077.db2.gz CRMZTKHPFZZBQG-QFIPXVFZSA-N 0 0 551.402 6.850 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408565885 572253160 /nfs/dbraw/zinc/25/31/60/572253160.db2.gz DCGCXOCOSPKSSB-SANMLTNESA-N 0 0 587.073 6.855 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565929 572253173 /nfs/dbraw/zinc/25/31/73/572253173.db2.gz MFCXFKLFQIDFSI-WSNNEZGNSA-N 0 0 577.262 5.857 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1Cl ZINC000408565983 572253284 /nfs/dbraw/zinc/25/32/84/572253284.db2.gz DMARODVSEYLIGD-HXUWFJFHSA-N 0 0 529.818 6.970 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408566046 572253332 /nfs/dbraw/zinc/25/33/32/572253332.db2.gz DPPSJVZVHRTQBC-MHZLTWQESA-N 0 0 518.639 6.280 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000408566285 572253524 /nfs/dbraw/zinc/25/35/24/572253524.db2.gz FFTDARAXOYVWRE-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408566328 572253552 /nfs/dbraw/zinc/25/35/52/572253552.db2.gz FIULLBUQYHCAAU-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408566592 572253843 /nfs/dbraw/zinc/25/38/43/572253843.db2.gz FRAPYZNXWPQZBT-HSZRJFAPSA-N 0 0 525.974 5.826 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566651 572253847 /nfs/dbraw/zinc/25/38/47/572253847.db2.gz OHUBQQSZSAXIBZ-YJIIWGRFSA-N 0 0 586.870 5.602 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccccc1 ZINC000408566745 572253923 /nfs/dbraw/zinc/25/39/23/572253923.db2.gz GAPZUAPPBALQAI-HSZRJFAPSA-N 0 0 525.428 6.027 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566817 572254055 /nfs/dbraw/zinc/25/40/55/572254055.db2.gz OYWXSGZYCTZSON-OVIZOQQBSA-N 0 0 614.496 6.244 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408567126 572254164 /nfs/dbraw/zinc/25/41/64/572254164.db2.gz GOBZMDHOMYOWJW-AREMUKBSSA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408567156 572254193 /nfs/dbraw/zinc/25/41/93/572254193.db2.gz GQBSSCNXPZUEJJ-AREMUKBSSA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408567157 572254194 /nfs/dbraw/zinc/25/41/94/572254194.db2.gz GQBSSCNXPZUEJJ-SANMLTNESA-N 0 0 555.056 6.326 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408567081 572254212 /nfs/dbraw/zinc/25/42/12/572254212.db2.gz GINGXFXTOIUORA-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567181 572254264 /nfs/dbraw/zinc/25/42/64/572254264.db2.gz GRAZCPVUSQEYJR-HSZRJFAPSA-N 0 0 642.334 7.482 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccccc1 ZINC000408567191 572254306 /nfs/dbraw/zinc/25/43/06/572254306.db2.gz GRISOGWJKSNEFM-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567183 572254325 /nfs/dbraw/zinc/25/43/25/572254325.db2.gz GRAZCPVUSQEYJR-QHCPKHFHSA-N 0 0 642.334 7.482 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408567219 572254357 /nfs/dbraw/zinc/25/43/57/572254357.db2.gz GUJQYOVKEKSVKW-HSZRJFAPSA-N 0 0 588.415 6.075 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408567739 572254378 /nfs/dbraw/zinc/25/43/78/572254378.db2.gz HHKAMIPIZGAPSK-VWLOTQADSA-N 0 0 598.479 6.552 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408567581 572254381 /nfs/dbraw/zinc/25/43/81/572254381.db2.gz GWRGXINBRJUEFP-QHCPKHFHSA-N 0 0 546.983 6.205 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408567587 572254481 /nfs/dbraw/zinc/25/44/81/572254481.db2.gz GWTDQEZPFUAQBO-NDEPHWFRSA-N 0 0 635.540 7.198 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408568061 572254579 /nfs/dbraw/zinc/25/45/79/572254579.db2.gz HLQNLGOKJFJAAG-XMMPIXPASA-N 0 0 593.920 7.624 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 ZINC000408568070 572254701 /nfs/dbraw/zinc/25/47/01/572254701.db2.gz HNBPZQIWIKBVEY-MUUNZHRXSA-N 0 0 605.514 7.189 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408568562 572255004 /nfs/dbraw/zinc/25/50/04/572255004.db2.gz IASRWNIFLYCPTD-AREMUKBSSA-N 0 0 589.501 6.979 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1cccc(C)c1 ZINC000408568584 572255066 /nfs/dbraw/zinc/25/50/66/572255066.db2.gz IBEAGHDDMDFMPH-DEOSSOPVSA-N 0 0 505.556 5.481 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408568696 572255160 /nfs/dbraw/zinc/25/51/60/572255160.db2.gz IJFRZSNUBCYRRM-RUZDIDTESA-N 0 0 557.047 6.764 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000408568672 572255208 /nfs/dbraw/zinc/25/52/08/572255208.db2.gz IFOHHJVSBSNDAV-VWLOTQADSA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408568744 572255211 /nfs/dbraw/zinc/25/52/11/572255211.db2.gz INGPGVCGJHXIPE-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc21 ZINC000408569101 572255452 /nfs/dbraw/zinc/25/54/52/572255452.db2.gz IVADRJQPVRLOPK-LJAQVGFWSA-N 0 0 558.635 6.956 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1cccc(C)c1 ZINC000408569082 572255464 /nfs/dbraw/zinc/25/54/64/572255464.db2.gz ISWCSBUULWNXRS-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408569104 572255484 /nfs/dbraw/zinc/25/54/84/572255484.db2.gz IVKPDKURSPUHRL-GDLZYMKVSA-N 0 0 540.645 6.817 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000408569125 572255492 /nfs/dbraw/zinc/25/54/92/572255492.db2.gz IXMKVZCTIFKCJJ-MUUNZHRXSA-N 0 0 526.618 6.427 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568967 572255511 /nfs/dbraw/zinc/25/55/11/572255511.db2.gz VKMXIAPQIYKJEE-XABOBXATSA-N 0 0 643.332 5.854 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569374 572255549 /nfs/dbraw/zinc/25/55/49/572255549.db2.gz WCJWWADNIOIXGW-PPSCSQRBSA-N 0 0 523.589 5.339 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 ZINC000408569222 572255600 /nfs/dbraw/zinc/25/56/00/572255600.db2.gz JDZDPGHGKWCFNI-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 ZINC000408569401 572255605 /nfs/dbraw/zinc/25/56/05/572255605.db2.gz WOXJJSKQUSKMCC-GYZUZPTJSA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408569489 572255693 /nfs/dbraw/zinc/25/56/93/572255693.db2.gz JESPTUZJZUUEJZ-VWLOTQADSA-N 0 0 599.507 6.435 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(F)cc1 ZINC000408569511 572255709 /nfs/dbraw/zinc/25/57/09/572255709.db2.gz JJLTYIBFYOLCNC-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569560 572255752 /nfs/dbraw/zinc/25/57/52/572255752.db2.gz JNINGQXZYQDZIH-HSZRJFAPSA-N 0 0 589.899 6.689 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569654 572255867 /nfs/dbraw/zinc/25/58/67/572255867.db2.gz WVAUIZVNECPLKQ-UQBYDPJISA-N 0 0 507.949 5.113 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408569628 572255911 /nfs/dbraw/zinc/25/59/11/572255911.db2.gz JXXMMYWDKJZRJQ-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408569916 572256054 /nfs/dbraw/zinc/25/60/54/572256054.db2.gz KGDRAEOIFWCWCU-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCC ZINC000408569893 572256063 /nfs/dbraw/zinc/25/60/63/572256063.db2.gz KEGJGKAPKUGXAD-NRFANRHFSA-N 0 0 535.464 5.863 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 ZINC000408569936 572256136 /nfs/dbraw/zinc/25/61/36/572256136.db2.gz KHSZBMWMGUTVTH-HKBQPEDESA-N 0 0 584.698 7.215 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570038 572256164 /nfs/dbraw/zinc/25/61/64/572256164.db2.gz YFJGEKLSQGOTNF-BQVXCWBNSA-N 0 0 572.843 5.212 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570061 572256199 /nfs/dbraw/zinc/25/61/99/572256199.db2.gz YHFWUZYGTHIHNX-SIJZCSJPSA-N 0 0 657.359 6.244 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000408569948 572256211 /nfs/dbraw/zinc/25/62/11/572256211.db2.gz KIJHKYLPRUKRHY-XMMPIXPASA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570214 572256367 /nfs/dbraw/zinc/25/63/67/572256367.db2.gz ZVRLTIVRHNKMON-YDOVEJIGSA-N 0 0 586.870 5.602 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408570295 572256380 /nfs/dbraw/zinc/25/63/80/572256380.db2.gz KUELDERSBDWEEM-QHCPKHFHSA-N 0 0 604.870 6.589 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408570375 572256450 /nfs/dbraw/zinc/25/64/50/572256450.db2.gz LETAZTHGZLKJFY-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000408570696 572256479 /nfs/dbraw/zinc/25/64/79/572256479.db2.gz LWTQGIQUYBWTPO-VWLOTQADSA-N 0 0 600.053 6.234 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408570597 572256523 /nfs/dbraw/zinc/25/65/23/572256523.db2.gz LMQCMUZJRJREPC-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000408570575 572256535 /nfs/dbraw/zinc/25/65/35/572256535.db2.gz LLIOTQNBIJBWQL-RUZDIDTESA-N 0 0 526.565 5.942 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F ZINC000408570868 572256580 /nfs/dbraw/zinc/25/65/80/572256580.db2.gz MBYJRQQUACWJNS-XMMPIXPASA-N 0 0 621.916 7.219 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408570865 572256622 /nfs/dbraw/zinc/25/66/22/572256622.db2.gz MBPSFLWIGAMKAL-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408570950 572256709 /nfs/dbraw/zinc/25/67/09/572256709.db2.gz MLANSWINTGRYHC-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000408571023 572256726 /nfs/dbraw/zinc/25/67/26/572256726.db2.gz MVKOQZUXGMIJQI-SANMLTNESA-N 0 0 587.073 6.855 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC ZINC000408571002 572256737 /nfs/dbraw/zinc/25/67/37/572256737.db2.gz MRRNWAIGIHYFEC-SFHVURJKSA-N 0 0 527.828 5.509 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408571097 572256818 /nfs/dbraw/zinc/25/68/18/572256818.db2.gz NMQMULBPLUQIGX-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571087 572256821 /nfs/dbraw/zinc/25/68/21/572256821.db2.gz NKYVJWBJBHIQJC-HSZRJFAPSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408571089 572256823 /nfs/dbraw/zinc/25/68/23/572256823.db2.gz NLEJZRIMVPLFGP-RUZDIDTESA-N 0 0 668.397 7.741 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408571127 572256847 /nfs/dbraw/zinc/25/68/47/572256847.db2.gz NSDGCZDBBRWNAE-XMMPIXPASA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1cccc(C)c1 ZINC000408571270 572256927 /nfs/dbraw/zinc/25/69/27/572256927.db2.gz OCRUVAQTMKGBQM-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408571168 572256934 /nfs/dbraw/zinc/25/69/34/572256934.db2.gz NYYFNLPLKPMOEK-QHCPKHFHSA-N 0 0 559.873 6.681 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571281 572256952 /nfs/dbraw/zinc/25/69/52/572256952.db2.gz OEUPXKGEXJZDLQ-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408571363 572257070 /nfs/dbraw/zinc/25/70/70/572257070.db2.gz ONAWAVRFYWYRLD-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571574 572257132 /nfs/dbraw/zinc/25/71/32/572257132.db2.gz PCEXHCFBGJEQNF-HSZRJFAPSA-N 0 0 584.312 7.878 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 ZINC000408571582 572257213 /nfs/dbraw/zinc/25/72/13/572257213.db2.gz PCSMGCNOSSPRJP-AREMUKBSSA-N 0 0 504.612 5.972 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408571661 572257226 /nfs/dbraw/zinc/25/72/26/572257226.db2.gz PLDRTKBZGDLKHY-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408571854 572257406 /nfs/dbraw/zinc/25/74/06/572257406.db2.gz PSMBWSKVJQVTSN-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571849 572257400 /nfs/dbraw/zinc/25/74/00/572257400.db2.gz PSAIJSPJNQYRNG-RUZDIDTESA-N 0 0 652.398 8.041 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571900 572257416 /nfs/dbraw/zinc/25/74/16/572257416.db2.gz PUTBXPZSTHJUJD-VWLOTQADSA-N 0 0 652.398 7.960 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572388 572257828 /nfs/dbraw/zinc/25/78/28/572257828.db2.gz RAHPZMKVLJMNNM-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408572412 572257838 /nfs/dbraw/zinc/25/78/38/572257838.db2.gz RCABHTHGFNNJTG-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408572474 572257903 /nfs/dbraw/zinc/25/79/03/572257903.db2.gz RGEUCISVNCRMCG-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000408572489 572257951 /nfs/dbraw/zinc/25/79/51/572257951.db2.gz RHOWRWTZBQZUFX-RUZDIDTESA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408572639 572257984 /nfs/dbraw/zinc/25/79/84/572257984.db2.gz ROGXYRVEFIAHIF-LJAQVGFWSA-N 0 0 649.567 7.588 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1cccc(C)c1 ZINC000408572678 572258041 /nfs/dbraw/zinc/25/80/41/572258041.db2.gz RSYYWRTWJGXNBV-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408572613 572258043 /nfs/dbraw/zinc/25/80/43/572258043.db2.gz RMIPVGNDNUJBFJ-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408572645 572258047 /nfs/dbraw/zinc/25/80/47/572258047.db2.gz RPZSKLQOKPRMAH-VWLOTQADSA-N 0 0 678.403 7.197 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408572762 572258105 /nfs/dbraw/zinc/25/81/05/572258105.db2.gz RYQOSXIKWQBCLX-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408573020 572258466 /nfs/dbraw/zinc/25/84/66/572258466.db2.gz SEZBGVQDCCQBHI-SANMLTNESA-N 0 0 631.980 7.696 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408573030 572258467 /nfs/dbraw/zinc/25/84/67/572258467.db2.gz SFLHCIKXMBYHLJ-VWLOTQADSA-N 0 0 509.031 6.535 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 ZINC000408573043 572258487 /nfs/dbraw/zinc/25/84/87/572258487.db2.gz SGEBFNHDUGWOMS-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408572977 572258507 /nfs/dbraw/zinc/25/85/07/572258507.db2.gz RZSILKLVARYCOU-XMMPIXPASA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F ZINC000408572990 572258509 /nfs/dbraw/zinc/25/85/09/572258509.db2.gz SAVFKNXXRBOGHU-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408573014 572258518 /nfs/dbraw/zinc/25/85/18/572258518.db2.gz SDTXFICPLKRWLS-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1Cl ZINC000408573133 572258638 /nfs/dbraw/zinc/25/86/38/572258638.db2.gz SQEDQOQDYJCCLT-IBGZPJMESA-N 0 0 515.791 6.580 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F ZINC000408573082 572258645 /nfs/dbraw/zinc/25/86/45/572258645.db2.gz SLJGQUBXSUAQGR-HHHXNRCGSA-N 0 0 536.629 6.419 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408574081 572259280 /nfs/dbraw/zinc/25/92/80/572259280.db2.gz UPPKXAKMVKFIMY-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408574429 572259613 /nfs/dbraw/zinc/25/96/13/572259613.db2.gz UUMNQGJPGSCLDP-QHCPKHFHSA-N 0 0 624.344 7.343 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408574573 572259727 /nfs/dbraw/zinc/25/97/27/572259727.db2.gz VHKGHBNZTOOYCU-HSZRJFAPSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408574549 572259747 /nfs/dbraw/zinc/25/97/47/572259747.db2.gz VEGNAKVQUOGZJP-DEOSSOPVSA-N 0 0 672.816 8.386 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408575081 572260163 /nfs/dbraw/zinc/26/01/63/572260163.db2.gz VYLFOSWSUFPTRC-VWLOTQADSA-N 0 0 652.398 7.960 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575516 572260507 /nfs/dbraw/zinc/26/05/07/572260507.db2.gz WLNGCWBVDZJVDZ-MHZLTWQESA-N 0 0 587.529 7.587 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000408575419 572260508 /nfs/dbraw/zinc/26/05/08/572260508.db2.gz WESYZTPUIPMOTO-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 ZINC000408575389 572260530 /nfs/dbraw/zinc/26/05/30/572260530.db2.gz WBXLXCTYXLMHGA-VWLOTQADSA-N 0 0 599.507 6.435 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408575606 572260616 /nfs/dbraw/zinc/26/06/16/572260616.db2.gz WRBXPWGCZCZREO-VWLOTQADSA-N 0 0 573.502 7.197 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc21 ZINC000408575840 572260810 /nfs/dbraw/zinc/26/08/10/572260810.db2.gz WXMHCXBYOZGWQH-NDEPHWFRSA-N 0 0 544.608 6.566 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408575930 572260869 /nfs/dbraw/zinc/26/08/69/572260869.db2.gz XBAMQUJNHNRWTG-NDEPHWFRSA-N 0 0 589.515 7.489 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408575880 572260884 /nfs/dbraw/zinc/26/08/84/572260884.db2.gz WZEZKJLSYCCXMH-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000408576028 572260934 /nfs/dbraw/zinc/26/09/34/572260934.db2.gz XESHSVXLJKIFBT-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408576062 572260938 /nfs/dbraw/zinc/26/09/38/572260938.db2.gz XGURACHIIMAIJJ-DEOSSOPVSA-N 0 0 575.474 6.589 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408576052 572260939 /nfs/dbraw/zinc/26/09/39/572260939.db2.gz XGMYSFBNJMPTEQ-HHHXNRCGSA-N 0 0 605.514 7.189 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(C)cc1 ZINC000408576098 572261074 /nfs/dbraw/zinc/26/10/74/572261074.db2.gz XHVPCLRYRSMMMH-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408576123 572261080 /nfs/dbraw/zinc/26/10/80/572261080.db2.gz XIECFRDFGNFNCR-VWLOTQADSA-N 0 0 571.472 6.783 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408576586 572261316 /nfs/dbraw/zinc/26/13/16/572261316.db2.gz XTGCFKXYPHVNTM-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408576583 572261355 /nfs/dbraw/zinc/26/13/55/572261355.db2.gz XTDULDFCOGMCKC-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000408576603 572261356 /nfs/dbraw/zinc/26/13/56/572261356.db2.gz XUMCDASCFMGROP-NDEPHWFRSA-N 0 0 561.063 7.080 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408577019 572261657 /nfs/dbraw/zinc/26/16/57/572261657.db2.gz YJJPHUWSGMQOBR-VWLOTQADSA-N 0 0 583.508 6.734 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408576988 572261660 /nfs/dbraw/zinc/26/16/60/572261660.db2.gz YIDKOLVFEHHMTF-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408576993 572261675 /nfs/dbraw/zinc/26/16/75/572261675.db2.gz YIDKOLVFEHHMTF-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408577070 572261761 /nfs/dbraw/zinc/26/17/61/572261761.db2.gz YNJZLJNZYGZTGF-VWLOTQADSA-N 0 0 554.028 6.443 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000408577368 572261854 /nfs/dbraw/zinc/26/18/54/572261854.db2.gz ZCIYLAMSSULOFS-HSZRJFAPSA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC ZINC000408577215 572261882 /nfs/dbraw/zinc/26/18/82/572261882.db2.gz YSWKILGVFKGZBP-OAQYLSRUSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000408577440 572261972 /nfs/dbraw/zinc/26/19/72/572261972.db2.gz ZMPQQWGQNIYCBM-XMMPIXPASA-N 0 0 605.461 6.704 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408577777 572262362 /nfs/dbraw/zinc/26/23/62/572262362.db2.gz ZVYHTGBLFZJKJG-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000408577799 572262409 /nfs/dbraw/zinc/26/24/09/572262409.db2.gz ZXWFVMTXKMAWBG-QHCPKHFHSA-N 0 0 573.444 6.175 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577805 572262418 /nfs/dbraw/zinc/26/24/18/572262418.db2.gz ZZFPNJCIQVIXBX-DEOSSOPVSA-N 0 0 614.478 6.253 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408586458 572266181 /nfs/dbraw/zinc/26/61/81/572266181.db2.gz MZFDZYCSFQQTGK-UHFFFAOYSA-N 0 0 526.373 5.179 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Br ZINC000408604378 572274002 /nfs/dbraw/zinc/27/40/02/572274002.db2.gz ILSJSSKZNPSQQR-PKNBQFBNSA-N 0 0 502.321 5.240 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408605833 572274608 /nfs/dbraw/zinc/27/46/08/572274608.db2.gz GWUUYTVVSKMJQZ-UHFFFAOYSA-N 0 0 590.157 6.827 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408611721 572276653 /nfs/dbraw/zinc/27/66/53/572276653.db2.gz QYPXZFPAQCQOKS-UHFFFAOYSA-N 0 0 502.321 6.377 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408613260 572277101 /nfs/dbraw/zinc/27/71/01/572277101.db2.gz WAWKLKCYYAXAOH-UHFFFAOYSA-N 0 0 580.062 5.666 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408613615 572277353 /nfs/dbraw/zinc/27/73/53/572277353.db2.gz YULPRYXBSYXMOH-UHFFFAOYSA-N 0 0 547.349 5.228 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408614061 572277689 /nfs/dbraw/zinc/27/76/89/572277689.db2.gz XWMVTHNWBNSFFV-UHFFFAOYSA-N 0 0 614.190 6.592 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408622399 572282036 /nfs/dbraw/zinc/28/20/36/572282036.db2.gz PFUXXAFWUHFRKG-CSKPTYFESA-N 0 0 588.639 5.658 40 5 KKBBRN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408637454 572294415 /nfs/dbraw/zinc/29/44/15/572294415.db2.gz KROAXQQBPKBEDG-JOCHJYFZSA-N 0 0 582.565 5.967 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638099 572294895 /nfs/dbraw/zinc/29/48/95/572294895.db2.gz BVIDWENWXFQLQN-UHFFFAOYSA-N 0 0 555.930 5.577 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408638727 572295300 /nfs/dbraw/zinc/29/53/00/572295300.db2.gz DFXWJTDZNPGQHZ-UHFFFAOYSA-N 0 0 601.613 6.398 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408638723 572295303 /nfs/dbraw/zinc/29/53/03/572295303.db2.gz DEZITUCLQZWQPM-UHFFFAOYSA-N 0 0 583.940 5.004 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408639140 572295599 /nfs/dbraw/zinc/29/55/99/572295599.db2.gz VKCLVPKENOSZMI-OAQYLSRUSA-N 0 0 510.502 5.319 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 ZINC000408639138 572295620 /nfs/dbraw/zinc/29/56/20/572295620.db2.gz VJOPMIWAUIFZCP-VWLOTQADSA-N 0 0 608.647 7.390 40 5 KKBBRN CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639720 572296055 /nfs/dbraw/zinc/29/60/55/572296055.db2.gz YEZXTXULXYKZCX-JOCHJYFZSA-N 0 0 560.559 5.123 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640028 572296242 /nfs/dbraw/zinc/29/62/42/572296242.db2.gz ABNIQBVAUDGCAM-YASBFDIKSA-N 0 0 712.114 6.600 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408640240 572296336 /nfs/dbraw/zinc/29/63/36/572296336.db2.gz HRFLZGPYROZZAX-UHFFFAOYSA-N 0 0 855.040 6.993 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408640840 572296721 /nfs/dbraw/zinc/29/67/21/572296721.db2.gz IZTGHCUOSUKSEG-UOKFIYJESA-N 0 0 610.450 6.355 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408641079 572296880 /nfs/dbraw/zinc/29/68/80/572296880.db2.gz JNIZIQHDRLYBRH-UHFFFAOYSA-N 0 0 618.385 5.657 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408641709 572297247 /nfs/dbraw/zinc/29/72/47/572297247.db2.gz LEANJAFSACKUTG-GFCCVEGCSA-N 0 0 595.222 6.442 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 ZINC000408642207 572297552 /nfs/dbraw/zinc/29/75/52/572297552.db2.gz MDFQTZZQCMMWMQ-UHFFFAOYSA-N 0 0 613.966 5.012 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)CC1=O ZINC000408642407 572297669 /nfs/dbraw/zinc/29/76/69/572297669.db2.gz OPOPYYYAKCPLLG-LJQANCHMSA-N 0 0 503.555 5.819 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000408642446 572297680 /nfs/dbraw/zinc/29/76/80/572297680.db2.gz DVXDHDPMBGLKCJ-YNPPORQASA-N 0 0 691.696 6.255 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000408642444 572297687 /nfs/dbraw/zinc/29/76/87/572297687.db2.gz DVXDHDPMBGLKCJ-MFUHDEKWSA-N 0 0 691.696 6.255 40 5 KKBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408642616 572297792 /nfs/dbraw/zinc/29/77/92/572297792.db2.gz NIAMKWXZLSPJLH-HNNXBMFYSA-N 0 0 773.026 6.960 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408644316 572298582 /nfs/dbraw/zinc/29/85/82/572298582.db2.gz QXYGOPKGDQZTKS-CLJLJLNGSA-N 0 0 573.989 5.622 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408646988 572300252 /nfs/dbraw/zinc/30/02/52/572300252.db2.gz JEAUJLIMKIUXTD-QYVRTBTHSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647191 572300394 /nfs/dbraw/zinc/30/03/94/572300394.db2.gz BHVSQRLDWALTDL-BDRLMTCPSA-N 0 0 661.925 6.496 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000253575185 572300429 /nfs/dbraw/zinc/30/04/29/572300429.db2.gz UHGQCXBJESHKCT-QKENHZOPSA-N 0 0 506.558 5.701 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408647921 572300747 /nfs/dbraw/zinc/30/07/47/572300747.db2.gz WBFBMWVUOAQNNI-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN 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572302776 /nfs/dbraw/zinc/30/27/76/572302776.db2.gz MQEDYYLVNUPDOP-BRORTUQTSA-N 0 0 585.616 5.506 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408650690 572302791 /nfs/dbraw/zinc/30/27/91/572302791.db2.gz MRFCBPADRIXUTE-YASBFDIKSA-N 0 0 746.559 7.253 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408651544 572303286 /nfs/dbraw/zinc/30/32/86/572303286.db2.gz GVBQLJMMBCHEOM-HUBOAGJBSA-N 0 0 612.469 5.738 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000408651693 572303466 /nfs/dbraw/zinc/30/34/66/572303466.db2.gz NVRUDHDLCOEDAC-OVEGOBCQSA-N 0 0 636.444 5.558 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)c1 ZINC000408654465 572305082 /nfs/dbraw/zinc/30/50/82/572305082.db2.gz GTIFJOJTJUQMNE-LJQANCHMSA-N 0 0 561.591 5.228 40 5 KKBBRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000256072764 572305405 /nfs/dbraw/zinc/30/54/05/572305405.db2.gz LIKGQASPYMHUMB-UMDFDPAUSA-N 0 0 513.675 8.362 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408655102 572305446 /nfs/dbraw/zinc/30/54/46/572305446.db2.gz KVAYQLVLWNGCBO-KPHNHAPKSA-N 0 0 599.426 6.049 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408656465 572306107 /nfs/dbraw/zinc/30/61/07/572306107.db2.gz SODDMMARODULDE-PLQXJYEYSA-N 0 0 561.978 5.456 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408656494 572306144 /nfs/dbraw/zinc/30/61/44/572306144.db2.gz SRYKRRSRVTXZCC-HSZRJFAPSA-N 0 0 627.005 5.477 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)CC1=O ZINC000408657599 572306746 /nfs/dbraw/zinc/30/67/46/572306746.db2.gz INTPYFSFTUTUBS-NSHDSACASA-N 0 0 639.231 5.976 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408659830 572308135 /nfs/dbraw/zinc/30/81/35/572308135.db2.gz PQDRAZUDMPZTQY-QXUFZFKLSA-N 0 0 599.426 6.049 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)cc1[N+](=O)[O-] ZINC000408661203 572308870 /nfs/dbraw/zinc/30/88/70/572308870.db2.gz OJTMJURKERVJJO-HXUWFJFHSA-N 0 0 545.592 5.528 40 5 KKBBRN O=C(Oc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)c1cccs1 ZINC000408662347 572309544 /nfs/dbraw/zinc/30/95/44/572309544.db2.gz XWWLLHYMKBFTRM-TYBYDDOHSA-N 0 0 683.698 6.008 40 5 KKBBRN O=C(Oc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)c1cccs1 ZINC000408662342 572309556 /nfs/dbraw/zinc/30/95/56/572309556.db2.gz XWWLLHYMKBFTRM-AJBRRXLCSA-N 0 0 683.698 6.008 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408663060 572309837 /nfs/dbraw/zinc/30/98/37/572309837.db2.gz YCUKCAZEGPTTMR-DHIUTWEWSA-N 0 0 594.407 5.885 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408666056 572311771 /nfs/dbraw/zinc/31/17/71/572311771.db2.gz ZWUBICOPLAHPQH-ZRZAMGCNSA-N 0 0 622.417 5.312 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408666534 572312065 /nfs/dbraw/zinc/31/20/65/572312065.db2.gz VBIOCTHXIPSXAG-HMZNYUFESA-N 0 0 627.480 5.843 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408666544 572312188 /nfs/dbraw/zinc/31/21/88/572312188.db2.gz VCELPUYJQLIJMQ-HCOICLPRSA-N 0 0 627.908 6.445 40 5 KKBBRN O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408668351 572313318 /nfs/dbraw/zinc/31/33/18/572313318.db2.gz WIRAHMFZZKCDKI-OJKWPBSESA-N 0 0 585.827 5.275 40 5 KKBBRN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] ZINC000408668666 572313568 /nfs/dbraw/zinc/31/35/68/572313568.db2.gz DQSVTTZKDOYBJZ-UHFFFAOYSA-N 0 0 528.517 5.694 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)c(C)c2)CC1=O ZINC000408668818 572313602 /nfs/dbraw/zinc/31/36/02/572313602.db2.gz RDAMCOPADCZGSA-LBPRGKRZSA-N 0 0 653.258 6.285 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)c(C)c2)CC1=O ZINC000408672027 572315797 /nfs/dbraw/zinc/31/57/97/572315797.db2.gz UWYOZCDNFQTXRF-DLAWPSHISA-N 0 0 643.652 5.267 40 5 KKBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408673684 572316892 /nfs/dbraw/zinc/31/68/92/572316892.db2.gz XNDASLXLAIHGSI-FSGKEUEHSA-N 0 0 613.626 5.258 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Br)cc1 ZINC000408676106 572318496 /nfs/dbraw/zinc/31/84/96/572318496.db2.gz AASYEZZPOQNWMZ-UHFFFAOYSA-N 0 0 823.868 6.944 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408677350 572319117 /nfs/dbraw/zinc/31/91/17/572319117.db2.gz BTGRYDJUHQBPTC-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408678810 572320009 /nfs/dbraw/zinc/32/00/09/572320009.db2.gz DDRSJPBLJYQCMB-QYVRTBTHSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408679882 572320763 /nfs/dbraw/zinc/32/07/63/572320763.db2.gz FMIRSNHHTCWUDQ-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408679918 572320897 /nfs/dbraw/zinc/32/08/97/572320897.db2.gz FOUBGXFYQMEUJO-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408680848 572321379 /nfs/dbraw/zinc/32/13/79/572321379.db2.gz HCXWFFDZDQNBOE-UHFFFAOYSA-N 0 0 584.155 5.970 40 5 KKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408680842 572321391 /nfs/dbraw/zinc/32/13/91/572321391.db2.gz HCBFZQBHNOCLNY-JOCHJYFZSA-N 0 0 506.363 5.508 40 5 KKBBRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257349437 572321577 /nfs/dbraw/zinc/32/15/77/572321577.db2.gz OCFIZNAHQQAOPE-NYRRLNDWSA-N 0 0 596.809 9.396 40 5 KKBBRN O=C1c2ccc3c4ccc5c6c4c(c4c3c2C(=CC4)C(=O)N1CCc1ccccc1)C=C[C@@H]6C(=O)N(CCc1ccccc1)C5=O ZINC000100053430 1069695505 /nfs/dbraw/zinc/69/55/05/1069695505.db2.gz XBRCPAMBVIZHBB-PMERELPUSA-N 0 0 600.674 6.493 40 5 KKBBRN C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 ZINC000102415392 1069702515 /nfs/dbraw/zinc/70/25/15/1069702515.db2.gz SYOCSCGDXHZTRO-ROUUACIJSA-N 0 0 572.599 5.927 40 5 KKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)s4)cc3)sc2c1 ZINC000408710459 1069735123 /nfs/dbraw/zinc/73/51/23/1069735123.db2.gz IMYGOJNFQIEQPH-UHFFFAOYSA-N 0 0 550.021 6.794 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408945641 1069761538 /nfs/dbraw/zinc/76/15/38/1069761538.db2.gz XFHVAVXBEXTLMV-MIUGUJGPSA-N 0 0 644.662 5.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090408 1069774968 /nfs/dbraw/zinc/77/49/68/1069774968.db2.gz NCCMLQNYZNYLFF-CDWRSTBESA-N 0 0 787.483 6.218 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409164342 1069792417 /nfs/dbraw/zinc/79/24/17/1069792417.db2.gz HFWAJUYWUHXCRA-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409191139 1069798687 /nfs/dbraw/zinc/79/86/87/1069798687.db2.gz SYPSAFROQXMKSH-PQRKSKNISA-N 0 0 717.229 5.798 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273831 1069802186 /nfs/dbraw/zinc/80/21/86/1069802186.db2.gz LUTVRLURFKVAPA-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)c1 ZINC000408768084 1069872294 /nfs/dbraw/zinc/87/22/94/1069872294.db2.gz HWFUMRVNADKYAS-OIUASMPBSA-N 0 0 884.490 6.579 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 ZINC000408769238 1069875587 /nfs/dbraw/zinc/87/55/87/1069875587.db2.gz MCSNBBROFSBRQS-USDTVRPUSA-N 0 0 627.078 5.704 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408768412 1069873336 /nfs/dbraw/zinc/87/33/36/1069873336.db2.gz ISHZUGGBGVNHBN-SELCLYCASA-N 0 0 626.090 6.158 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769565 1069876745 /nfs/dbraw/zinc/87/67/45/1069876745.db2.gz OAEYPCONHFFODZ-RBMXVJLZSA-N 0 0 725.530 5.187 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408769032 1069874792 /nfs/dbraw/zinc/87/47/92/1069874792.db2.gz LELONWLUVSUPLH-IVQFASICSA-N 0 0 663.668 5.491 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770625 1069880321 /nfs/dbraw/zinc/88/03/21/1069880321.db2.gz ZRKKOGBHVRLXDL-LHJNOJRUSA-N 0 0 717.598 5.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770087 1069878550 /nfs/dbraw/zinc/87/85/50/1069878550.db2.gz SOMISEKMNYEMFN-AUTFUCJRSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408779398 1069900731 /nfs/dbraw/zinc/90/07/31/1069900731.db2.gz DOHRLIKCHUIXNC-ZSJKCPIUSA-N 0 0 731.394 5.950 40 5 KKBBRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408804682 1069950890 /nfs/dbraw/zinc/95/08/90/1069950890.db2.gz GMXTYUCJWAHBFD-VHPRUIRISA-N 0 0 565.719 7.960 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823957 1069989887 /nfs/dbraw/zinc/98/98/87/1069989887.db2.gz GCAZSZTXEPUDPE-ITNPZBTBSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408823964 1069990024 /nfs/dbraw/zinc/99/00/24/1069990024.db2.gz HBMQJIYVEBKVIZ-NFYDWNOTSA-N 0 0 750.398 6.197 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408837473 1070030524 /nfs/dbraw/zinc/03/05/24/1070030524.db2.gz GILYQTIUVLRZDZ-FWESEHMYSA-N 0 0 625.634 5.252 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000408833686 1070031432 /nfs/dbraw/zinc/03/14/32/1070031432.db2.gz SCZDBJMYPZXSHZ-BPOMCQNBSA-N 0 0 609.751 6.806 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408835349 1070036879 /nfs/dbraw/zinc/03/68/79/1070036879.db2.gz XHMQBWDEIXWEIQ-PRLWALMFSA-N 0 0 713.006 6.100 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408835347 1070037251 /nfs/dbraw/zinc/03/72/51/1070037251.db2.gz XHMQBWDEIXWEIQ-FUFNRSNVSA-N 0 0 713.006 6.100 40 5 KKBBRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(C)c1 ZINC000408840702 1070043525 /nfs/dbraw/zinc/04/35/25/1070043525.db2.gz ZVYXRFKXALKMNM-UHFFFAOYSA-N 0 0 519.966 5.980 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408841557 1070044761 /nfs/dbraw/zinc/04/47/61/1070044761.db2.gz LGWBZVSYKLFHLU-HMEHKCSNSA-N 0 0 672.852 6.469 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000408838084 1070047332 /nfs/dbraw/zinc/04/73/32/1070047332.db2.gz RHKHIKXBWABVSB-KMCFWPMWSA-N 0 0 637.714 6.217 40 5 KKBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2sc3cc(Br)ccc3c2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408838149 1070047389 /nfs/dbraw/zinc/04/73/89/1070047389.db2.gz CKHAZSPKNDEBEL-VCHYOVAHSA-N 0 0 662.699 7.552 40 5 KKBBRN O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408841826 1070045037 /nfs/dbraw/zinc/04/50/37/1070045037.db2.gz HUZPALJUPFWYPC-DBHVVYFFSA-N 0 0 695.551 6.477 40 5 KKBBRN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000408837957 1070046740 /nfs/dbraw/zinc/04/67/40/1070046740.db2.gz AYEAGERZRAOARM-UHFFFAOYSA-N 0 0 570.808 6.126 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408844968 1070050915 /nfs/dbraw/zinc/05/09/15/1070050915.db2.gz DSCNJRXMGIBWKK-FSEOGBMLSA-N 0 0 642.517 6.061 40 5 KKBBRN O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408846035 1070053430 /nfs/dbraw/zinc/05/34/30/1070053430.db2.gz XHBTZPFCQZPDBJ-DXUGRCAZSA-N 0 0 695.551 6.477 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408843254 1070057737 /nfs/dbraw/zinc/05/77/37/1070057737.db2.gz SFJVVQWUTHRAFQ-VZIOXZNFSA-N 0 0 633.988 5.171 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408851861 1070058283 /nfs/dbraw/zinc/05/82/83/1070058283.db2.gz AWDFIQBSLLFOFR-ZSXMQSLNSA-N 0 0 676.751 5.768 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408854655 1070072352 /nfs/dbraw/zinc/07/23/52/1070072352.db2.gz ASDGDGURVQJMFH-MIUGUJGPSA-N 0 0 644.662 5.194 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408868125 1070088665 /nfs/dbraw/zinc/08/86/65/1070088665.db2.gz NOXSSFMQPSZXNE-MSXFZWOLSA-N 0 0 648.329 7.334 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408875526 1070107383 /nfs/dbraw/zinc/10/73/83/1070107383.db2.gz JSYPNBRYKWBHDQ-UUYOSTAYSA-N 0 0 559.825 6.826 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408881838 1070125155 /nfs/dbraw/zinc/12/51/55/1070125155.db2.gz NYJOWOAWNXXRAC-MSXFZWOLSA-N 0 0 710.481 7.037 40 5 KKBBRN O=c1/c(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408903106 1070185587 /nfs/dbraw/zinc/18/55/87/1070185587.db2.gz PIZVWGYMGRNXFH-JAIQZWGSSA-N 0 0 542.798 5.360 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000408917023 1070206566 /nfs/dbraw/zinc/20/65/66/1070206566.db2.gz KYRWRBMADUDOQT-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408917047 1070206589 /nfs/dbraw/zinc/20/65/89/1070206589.db2.gz LMTGWLHXDNJHFV-WSDLNYQXSA-N 0 0 681.302 6.786 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408917509 1070208125 /nfs/dbraw/zinc/20/81/25/1070208125.db2.gz VXDHYDIYYYJUPQ-FOKLQQMPSA-N 0 0 573.396 6.321 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408933124 1070264913 /nfs/dbraw/zinc/26/49/13/1070264913.db2.gz HTKAKUAJLKZMHQ-WMMGVEBASA-N 0 0 652.729 5.035 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933263 1070265161 /nfs/dbraw/zinc/26/51/61/1070265161.db2.gz ADKYDILRFRMZKA-ILLSWNIOSA-N 0 0 820.456 5.670 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937535 1070291655 /nfs/dbraw/zinc/29/16/55/1070291655.db2.gz GTTPIIOOWCJMRS-SXSMZTLPSA-N 0 0 785.613 5.306 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408945113 1070299056 /nfs/dbraw/zinc/29/90/56/1070299056.db2.gz WSCNISDVTGGPQS-SZYVSPPHSA-N 0 0 774.033 6.331 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408946085 1070300956 /nfs/dbraw/zinc/30/09/56/1070300956.db2.gz OUWXLKJWLSEHCF-QARYAGPDSA-N 0 0 638.496 5.126 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408980553 1070338015 /nfs/dbraw/zinc/33/80/15/1070338015.db2.gz FNSJUFSGLQLEER-ZDZYTSRMSA-N 0 0 670.969 6.506 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985453 1070345555 /nfs/dbraw/zinc/34/55/55/1070345555.db2.gz KRROXLBKBNGWRA-TUVDJZKNSA-N 0 0 740.838 7.239 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000408990734 1070356773 /nfs/dbraw/zinc/35/67/73/1070356773.db2.gz YKBVEGBSRQMEJD-JOHYPREOSA-N 0 0 690.759 5.036 40 5 KKBBRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988800 1070361431 /nfs/dbraw/zinc/36/14/31/1070361431.db2.gz FYVLRLDTJVBFHC-QZTJIDSGSA-N 0 0 643.772 7.291 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999777 1070375136 /nfs/dbraw/zinc/37/51/36/1070375136.db2.gz XRTLGCKCVOLDNS-GARKAJJMSA-N 0 0 713.815 5.333 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999664 1070375192 /nfs/dbraw/zinc/37/51/92/1070375192.db2.gz XENPNJLEYNUDEH-PEPUGYCWSA-N 0 0 821.569 7.670 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409003868 1070385601 /nfs/dbraw/zinc/38/56/01/1070385601.db2.gz VQMGUJBEBHRKCC-LJAQVGFWSA-N 0 0 612.591 5.574 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409030171 1070412304 /nfs/dbraw/zinc/41/23/04/1070412304.db2.gz CPKPPCPWHMQAEV-CRCYZHLCSA-N 0 0 608.072 5.407 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(C)C2=S)cc1 ZINC000409032223 1070419038 /nfs/dbraw/zinc/41/90/38/1070419038.db2.gz LTOGQLMHHSOSDG-UCQKPKSFSA-N 0 0 645.475 5.790 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N1 ZINC000409032262 1070419102 /nfs/dbraw/zinc/41/91/02/1070419102.db2.gz BYDUHGPYJXNXMX-QPJBPQEWSA-N 0 0 652.523 5.518 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409029777 1070426104 /nfs/dbraw/zinc/42/61/04/1070426104.db2.gz BHRQSVHBNDRKQQ-BKUYFWCQSA-N 0 0 554.422 5.549 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045508 1070453853 /nfs/dbraw/zinc/45/38/53/1070453853.db2.gz PSWUBRRPCOGGKN-PGNBASISSA-N 0 0 810.676 5.397 40 5 KKBBRN O=C1C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 ZINC000409077477 1070493134 /nfs/dbraw/zinc/49/31/34/1070493134.db2.gz FOPGCILUSOALQY-MOSHPQCFSA-N 0 0 516.417 5.327 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409086497 1070518994 /nfs/dbraw/zinc/51/89/94/1070518994.db2.gz VTXVIDVPSHFCKA-SELCLYCASA-N 0 0 701.599 5.789 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000409110424 1070536921 /nfs/dbraw/zinc/53/69/21/1070536921.db2.gz BWXDXTDHUZHAQS-MHZLTWQESA-N 0 0 518.400 7.263 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409113769 1070539434 /nfs/dbraw/zinc/53/94/34/1070539434.db2.gz ISADBPQQRROYOO-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409114051 1070540552 /nfs/dbraw/zinc/54/05/52/1070540552.db2.gz IHZFWXKWIJGYKR-FHMSYZJOSA-N 0 0 619.168 5.816 40 5 KKBBRN CC(C)NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409148110 1070566831 /nfs/dbraw/zinc/56/68/31/1070566831.db2.gz ONYWYARWEQOEDW-JGCGQSQUSA-N 0 0 564.642 5.860 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409161458 1070580436 /nfs/dbraw/zinc/58/04/36/1070580436.db2.gz XMNXWADIWZHVEM-AUEPDCJTSA-N 0 0 632.876 6.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161797 1070580707 /nfs/dbraw/zinc/58/07/07/1070580707.db2.gz PUWSARNIKVDEQW-LXYLXTGBSA-N 0 0 727.431 6.119 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161800 1070580917 /nfs/dbraw/zinc/58/09/17/1070580917.db2.gz PUWSARNIKVDEQW-XGLZOBASSA-N 0 0 727.431 6.119 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177074 1070591989 /nfs/dbraw/zinc/59/19/89/1070591989.db2.gz CGHAZXAWFLDOQK-UHFFFAOYSA-N 0 0 631.937 5.798 40 5 KKBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000409176916 1070592043 /nfs/dbraw/zinc/59/20/43/1070592043.db2.gz AWHUIAAFGFTHSL-UHFFFAOYSA-N 0 0 501.516 5.134 40 5 KKBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c2)cc1 ZINC000409177582 1070592574 /nfs/dbraw/zinc/59/25/74/1070592574.db2.gz AMLUMRWHRVYUIE-UHFFFAOYSA-N 0 0 544.947 6.641 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409198855 1070608385 /nfs/dbraw/zinc/60/83/85/1070608385.db2.gz FYPKVZPKLLALEC-YVNNLAQVSA-N 0 0 666.915 5.762 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409207442 1070622963 /nfs/dbraw/zinc/62/29/63/1070622963.db2.gz WZYBHCUTEXQIJR-CVKSISIWSA-N 0 0 658.611 5.926 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000409241688 1070669222 /nfs/dbraw/zinc/66/92/22/1070669222.db2.gz SYBKPPZUKGDFJM-CIAFOILYSA-N 0 0 681.224 5.476 40 5 KKBBRN Cc1cc(Br)c(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000409272337 1070710052 /nfs/dbraw/zinc/71/00/52/1070710052.db2.gz YEUWVYBTBFJKRU-DHRITJCHSA-N 0 0 624.469 5.911 40 5 KKBBRN CCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000409273446 1070712618 /nfs/dbraw/zinc/71/26/18/1070712618.db2.gz QXZWXLXREHJMLU-ODLFYWEKSA-N 0 0 505.346 5.065 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409274077 1070714581 /nfs/dbraw/zinc/71/45/81/1070714581.db2.gz UWAQZHDHGBCDPR-WYMPLXKRSA-N 0 0 568.007 5.819 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274904 1070717199 /nfs/dbraw/zinc/71/71/99/1070717199.db2.gz RCKIHUCFZAXKJD-QRVIBDJDSA-N 0 0 548.577 5.473 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409275737 1070719674 /nfs/dbraw/zinc/71/96/74/1070719674.db2.gz WHUYMDOBGANXTK-OYKKKHCWSA-N 0 0 533.631 6.346 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc(Br)cc1 ZINC000409332485 1070837152 /nfs/dbraw/zinc/83/71/52/1070837152.db2.gz FYOHLDMCXNYWBN-UHFFFAOYSA-N 0 0 569.418 5.498 40 5 KKBBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409347175 1070863986 /nfs/dbraw/zinc/86/39/86/1070863986.db2.gz MNPCGAFRJXJLSM-UHFFFAOYSA-N 0 0 504.012 5.601 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401457 1070916348 /nfs/dbraw/zinc/91/63/48/1070916348.db2.gz UDJNMGARJVRIGO-LSCVHKIXSA-N 0 0 635.221 5.171 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409402574 1070918419 /nfs/dbraw/zinc/91/84/19/1070918419.db2.gz WXTHWHLSTNGBEO-LSCVHKIXSA-N 0 0 580.764 5.607 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCc1ccccc1 ZINC000409008241 1071067066 /nfs/dbraw/zinc/06/70/66/1071067066.db2.gz WZPPWQFDQUKCSK-HMAPJEAMSA-N 0 0 712.303 6.662 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408924731 1071080295 /nfs/dbraw/zinc/08/02/95/1071080295.db2.gz QJJRUUUNSYPFFC-HAVVHWLPSA-N 0 0 568.438 6.882 40 5 KKBBRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000585139694 1071081615 /nfs/dbraw/zinc/08/16/15/1071081615.db2.gz TYZTVRJMCYQKFN-FXVXWGRMSA-N 0 0 546.454 7.984 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921717 1071093799 /nfs/dbraw/zinc/09/37/99/1071093799.db2.gz VWRWRHGHKVQNTC-NLRVBDNBSA-N 0 0 533.993 6.228 40 5 KKBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] ZINC000408921484 1071095102 /nfs/dbraw/zinc/09/51/02/1071095102.db2.gz IEAZNRJWZOPVMN-UHFFFAOYSA-N 0 0 513.881 5.629 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408920815 1071098657 /nfs/dbraw/zinc/09/86/57/1071098657.db2.gz NZMRIXDKYJSAFX-XHLNEMQHSA-N 0 0 549.608 6.728 40 5 KKBBRN Cc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408920503 1071102872 /nfs/dbraw/zinc/10/28/72/1071102872.db2.gz JLFOQVMVUXFQMW-ZSXMQSLNSA-N 0 0 657.727 6.233 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 ZINC000408919875 1071114153 /nfs/dbraw/zinc/11/41/53/1071114153.db2.gz DQXRVRITXTUDTL-QARYAGPDSA-N 0 0 654.564 5.839 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 ZINC000408919876 1071114214 /nfs/dbraw/zinc/11/42/14/1071114214.db2.gz DQXRVRITXTUDTL-ZSJKCPIUSA-N 0 0 654.564 5.839 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408919656 1071114771 /nfs/dbraw/zinc/11/47/71/1071114771.db2.gz ZUIZSPNTZXIEBY-FSJBWODESA-N 0 0 521.507 5.327 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919449 1071120734 /nfs/dbraw/zinc/12/07/34/1071120734.db2.gz YBNCHQXIWLSUFG-ISQHLFTMSA-N 0 0 509.743 5.151 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2(Br)c2ccccc21 ZINC000408918795 1071128073 /nfs/dbraw/zinc/12/80/73/1071128073.db2.gz PEEWLCDVGBLVBG-CAZKKTPXSA-N 0 0 554.194 5.261 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408918197 1071137020 /nfs/dbraw/zinc/13/70/20/1071137020.db2.gz HMYDBWSWDKDYES-SSDVNMTOSA-N 0 0 641.270 7.322 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000408917817 1071143872 /nfs/dbraw/zinc/14/38/72/1071143872.db2.gz BNIBNCCAKMXECP-URFUVCHWSA-N 0 0 582.248 5.621 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917688 1071145948 /nfs/dbraw/zinc/14/59/48/1071145948.db2.gz ZXNDVKVRORELPL-SRZZPIQSSA-N 0 0 604.822 6.734 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000408928042 1071190102 /nfs/dbraw/zinc/19/01/02/1071190102.db2.gz UZEWCFIZBXLHGR-DDIUQFJASA-N 0 0 622.703 5.027 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408936606 1071209692 /nfs/dbraw/zinc/20/96/92/1071209692.db2.gz PHIWHSCOCYWYSD-QRVIBDJDSA-N 0 0 612.458 5.928 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408936175 1071214777 /nfs/dbraw/zinc/21/47/77/1071214777.db2.gz OOOYCAWLIYGWMM-MKTOWPBFSA-N 0 0 820.456 5.670 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000408933212 1071243126 /nfs/dbraw/zinc/24/31/26/1071243126.db2.gz IMELUSKMHDMYCL-QRVIBDJDSA-N 0 0 629.432 5.762 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932177 1071253080 /nfs/dbraw/zinc/25/30/80/1071253080.db2.gz BLRTUMYXDMIRRY-MGQZUQOPSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408943466 1071259885 /nfs/dbraw/zinc/25/98/85/1071259885.db2.gz SSBDPNKVLCSWNI-ITNPZBTBSA-N 0 0 692.588 5.835 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n21 ZINC000408946850 1071265566 /nfs/dbraw/zinc/26/55/66/1071265566.db2.gz ISUIKYKAPCYQJE-NJRBXVFNSA-N 0 0 789.708 7.991 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408945092 1071281242 /nfs/dbraw/zinc/28/12/42/1071281242.db2.gz HFKSAGBRKAQRJL-OKMHPQNISA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944394 1071286450 /nfs/dbraw/zinc/28/64/50/1071286450.db2.gz VKYKPHOTNJJZRD-YVBHXKDBSA-N 0 0 727.033 6.489 40 5 KKBBRN COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536925 1071308759 /nfs/dbraw/zinc/30/87/59/1071308759.db2.gz MADWQJQPOQQSHX-GYEXEWKGSA-N 0 0 601.615 5.594 40 5 KKBBRN COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536935 1071308695 /nfs/dbraw/zinc/30/86/95/1071308695.db2.gz MADWQJQPOQQSHX-ACZXLBTNSA-N 0 0 601.615 5.594 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408940822 1071313837 /nfs/dbraw/zinc/31/38/37/1071313837.db2.gz CKCHNYQMXJFSDL-FCVOFCDTSA-N 0 0 757.457 6.208 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408940030 1071320247 /nfs/dbraw/zinc/32/02/47/1071320247.db2.gz NUOPOGQEHQUXGK-ITNPZBTBSA-N 0 0 678.163 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408938889 1071326555 /nfs/dbraw/zinc/32/65/55/1071326555.db2.gz MBDIBYFDQGCSPN-SUAMDDGLSA-N 0 0 652.523 5.516 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937575 1071337559 /nfs/dbraw/zinc/33/75/59/1071337559.db2.gz JXNQDTKQGQVZCW-DDIUQFJASA-N 0 0 783.641 6.076 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408938120 1071334822 /nfs/dbraw/zinc/33/48/22/1071334822.db2.gz RTWMJVNGTDTZCR-MKTOWPBFSA-N 0 0 820.456 5.670 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408937434 1071339395 /nfs/dbraw/zinc/33/93/95/1071339395.db2.gz GOKRTXUYEQPCHM-ILLSWNIOSA-N 0 0 773.456 5.828 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408687179 1071346756 /nfs/dbraw/zinc/34/67/56/1071346756.db2.gz SZSLQZJBRAUEIV-UHFFFAOYSA-N 0 0 716.962 6.498 40 5 KKBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408686952 1071347157 /nfs/dbraw/zinc/34/71/57/1071347157.db2.gz SUJOSJSRVRNUOW-UHFFFAOYSA-N 0 0 774.998 6.190 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408684734 1071358169 /nfs/dbraw/zinc/35/81/69/1071358169.db2.gz NWEUMWUSKCHEBQ-UHFFFAOYSA-N 0 0 758.999 6.490 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685718 1071355310 /nfs/dbraw/zinc/35/53/10/1071355310.db2.gz QBRDEJGGXRLRMA-QYVZARNFSA-N 0 0 608.448 5.807 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684498 1071360671 /nfs/dbraw/zinc/36/06/71/1071360671.db2.gz NPTFGWYOSSDENM-FZDFQQAASA-N 0 0 547.542 5.184 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408684319 1071361345 /nfs/dbraw/zinc/36/13/45/1071361345.db2.gz OUHQOMBLIOQIOT-IBGZPJMESA-N 0 0 593.203 5.020 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683553 1071364384 /nfs/dbraw/zinc/36/43/84/1071364384.db2.gz LNWOZGJTOHTOMX-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683092 1071367940 /nfs/dbraw/zinc/36/79/40/1071367940.db2.gz HJYHYLCGJKUOMF-GFCCVEGCSA-N 0 0 591.231 5.854 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947828 1071368419 /nfs/dbraw/zinc/36/84/19/1071368419.db2.gz OHDFEZPSWSFSMV-KFOJKGMOSA-N 0 0 898.517 6.969 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408682525 1071368973 /nfs/dbraw/zinc/36/89/73/1071368973.db2.gz JNAIUABHJOHARI-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000408956309 1071378659 /nfs/dbraw/zinc/37/86/59/1071378659.db2.gz RDKYVWOJGMQWCA-OBDCIHEFSA-N 0 0 627.560 6.264 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408696282 1071380403 /nfs/dbraw/zinc/38/04/03/1071380403.db2.gz ZFLCQZALZMXSLA-UHFFFAOYSA-N 0 0 533.169 6.164 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689818 1071408832 /nfs/dbraw/zinc/40/88/32/1071408832.db2.gz ZETSYJXNVYPSIE-UHFFFAOYSA-N 0 0 796.404 7.060 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689024 1071416163 /nfs/dbraw/zinc/41/61/63/1071416163.db2.gz XPWIZPICQZDKHU-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688419 1071421342 /nfs/dbraw/zinc/42/13/42/1071421342.db2.gz WGVIJMRSQNIUCW-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688078 1071423669 /nfs/dbraw/zinc/42/36/69/1071423669.db2.gz VQUJREQNFMLWKK-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408688157 1071424422 /nfs/dbraw/zinc/42/44/22/1071424422.db2.gz VVFPJWYWPIMCGV-NPYONTDKSA-N 0 0 571.589 5.036 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408958730 1071439730 /nfs/dbraw/zinc/43/97/30/1071439730.db2.gz WNGVMFNHJCMUHP-DQARITGZSA-N 0 0 666.550 5.743 40 5 KKBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000408975227 1071477491 /nfs/dbraw/zinc/47/74/91/1071477491.db2.gz KSXFGDBPKKTOPG-UHFFFAOYSA-N 0 0 501.619 5.398 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408986177 1071493977 /nfs/dbraw/zinc/49/39/77/1071493977.db2.gz OIRFZIBWKYNOHS-VCLSCOGJSA-N 0 0 786.657 6.211 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)n1c2c(c3c1CCCC3)CCCC2 ZINC000408984783 1071505907 /nfs/dbraw/zinc/50/59/07/1071505907.db2.gz MUEWKEUORPCAHN-UHFFFAOYSA-N 0 0 572.668 5.997 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720456 1071512475 /nfs/dbraw/zinc/51/24/75/1071512475.db2.gz PRMPKDWDMZFUCI-OREYSHIXSA-N 0 0 506.558 5.619 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720465 1071512794 /nfs/dbraw/zinc/51/27/94/1071512794.db2.gz QAMFYOMDJXYJON-KDXFCVBFSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5cccc(OC)c5)c4cc32)c1 ZINC000408720460 1071512832 /nfs/dbraw/zinc/51/28/32/1071512832.db2.gz PTMXFGGDXJYVOU-UHFFFAOYSA-N 0 0 630.704 8.639 40 5 KKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000408726363 1071516805 /nfs/dbraw/zinc/51/68/05/1071516805.db2.gz BIJHUQNJZUGJKN-SKGAXEKPSA-N 0 0 568.221 5.313 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408983250 1071520262 /nfs/dbraw/zinc/52/02/62/1071520262.db2.gz GPJIZYFTWNHFTI-QZVQSRICSA-N 0 0 712.180 6.093 40 5 KKBBRN O=C(Oc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408726021 1071517353 /nfs/dbraw/zinc/51/73/53/1071517353.db2.gz ONQCQDRZSMIUQR-ZBKNUEDVSA-N 0 0 525.882 5.617 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5sc6c(c5c(=O)n4-c4ccccc4)CCCC6)cc3s2)c([N+](=O)[O-])c1 ZINC000408982760 1071523765 /nfs/dbraw/zinc/52/37/65/1071523765.db2.gz JRKCNGYCUNRALN-UHFFFAOYSA-N 0 0 744.902 7.314 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408979831 1071542121 /nfs/dbraw/zinc/54/21/21/1071542121.db2.gz CZEXRRYKHWDDRM-NYIUWGNGSA-N 0 0 663.333 6.036 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c(OC)c1 ZINC000408980486 1071539711 /nfs/dbraw/zinc/53/97/11/1071539711.db2.gz WWMATZGSDJTOQF-UNDLXJOSSA-N 0 0 622.659 5.059 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 ZINC000408720305 1071545611 /nfs/dbraw/zinc/54/56/11/1071545611.db2.gz KZDQCOHLCFMGTN-OIOCTNRISA-N 0 0 520.585 6.009 40 5 KKBBRN O=C(Nc1ccccc1Cl)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4Cl)c3cc21 ZINC000408719199 1071547757 /nfs/dbraw/zinc/54/77/57/1071547757.db2.gz AFYZIKBBBNHVKG-UHFFFAOYSA-N 0 0 639.542 9.928 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000408720732 1071543428 /nfs/dbraw/zinc/54/34/28/1071543428.db2.gz XSIMOFASIGRPNO-PSQNISHLSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728676 1071548719 /nfs/dbraw/zinc/54/87/19/1071548719.db2.gz REDVZBFTXOSVCM-AGYDLCDTSA-N 0 0 584.220 5.013 40 5 KKBBRN COc1ccc([C@H]2N=C(SCc3ccc([N+](=O)[O-])cc3)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 ZINC000408978591 1071548724 /nfs/dbraw/zinc/54/87/24/1071548724.db2.gz NAJPZWRZTAVYOT-RUZDIDTESA-N 0 0 518.595 5.458 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733728 1071550107 /nfs/dbraw/zinc/55/01/07/1071550107.db2.gz PCFXFCWCBJTJTE-ZYDFGXJWSA-N 0 0 674.913 5.097 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1C ZINC000408995123 1071553561 /nfs/dbraw/zinc/55/35/61/1071553561.db2.gz JFJBDLCXDDTALG-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408995322 1071553027 /nfs/dbraw/zinc/55/30/27/1071553027.db2.gz MEPRIVKKPCJHHH-JESJEVRBSA-N 0 0 803.631 6.045 40 5 KKBBRN Cc1c(I)ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1Cl ZINC000408736961 1071554495 /nfs/dbraw/zinc/55/44/95/1071554495.db2.gz KGZUWPRVRFIOQN-SANMLTNESA-N 0 0 653.904 6.659 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2O)C4=O)ccc1Br ZINC000408994977 1071554654 /nfs/dbraw/zinc/55/46/54/1071554654.db2.gz KCDDKUSARHVBTP-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN CCOc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408994214 1071560977 /nfs/dbraw/zinc/56/09/77/1071560977.db2.gz YCKQDEWODIBHEB-UHFFFAOYSA-N 0 0 536.660 7.011 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734862 1071563592 /nfs/dbraw/zinc/56/35/92/1071563592.db2.gz KRUROKSFIQGTPS-QQMBNGEASA-N 0 0 722.614 5.845 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734857 1071563605 /nfs/dbraw/zinc/56/36/05/1071563605.db2.gz KQPMAXGLXMCMMA-DDIUQFJASA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733765 1071570269 /nfs/dbraw/zinc/57/02/69/1071570269.db2.gz QBRHWVXPPSZOEQ-ZJTZAHLKSA-N 0 0 694.947 6.642 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734109 1071567772 /nfs/dbraw/zinc/56/77/72/1071567772.db2.gz DBUINYRLMKGTJR-PRLWALMFSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733399 1071571827 /nfs/dbraw/zinc/57/18/27/1071571827.db2.gz IFFKZUNIRRRTSK-QJWUKVPRSA-N 0 0 644.887 5.088 40 5 KKBBRN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408992575 1071572169 /nfs/dbraw/zinc/57/21/69/1071572169.db2.gz SMBAQWVDNIGPBS-UHFFFAOYSA-N 0 0 625.757 8.173 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733291 1071573497 /nfs/dbraw/zinc/57/34/97/1071573497.db2.gz XALNLMWSZNAFKT-HWMKKPCCSA-N 0 0 668.555 6.100 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 ZINC000408733288 1071573511 /nfs/dbraw/zinc/57/35/11/1071573511.db2.gz WZPCREGRXILSDE-HPEBZSCQSA-N 0 0 576.561 5.287 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408733096 1071574300 /nfs/dbraw/zinc/57/43/00/1071574300.db2.gz WBWJQNBYRMLQGM-GOATXGGQSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408992058 1071574673 /nfs/dbraw/zinc/57/46/73/1071574673.db2.gz ZKCZEPMUMIOUHV-OTHIGLTOSA-N 0 0 712.180 6.093 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732984 1071576373 /nfs/dbraw/zinc/57/63/73/1071576373.db2.gz CEHITUCRYWHKLN-QUNTYYFUSA-N 0 0 675.075 6.097 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731625 1071581073 /nfs/dbraw/zinc/58/10/73/1071581073.db2.gz OERHPFKQAWZFLV-CQHAYFLCSA-N 0 0 766.785 5.899 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731629 1071581175 /nfs/dbraw/zinc/58/11/75/1071581175.db2.gz OERHPFKQAWZFLV-SALIEYKESA-N 0 0 766.785 5.899 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408732248 1071579200 /nfs/dbraw/zinc/57/92/00/1071579200.db2.gz PYZJUSTVFVXUJI-BQVIPMCUSA-N 0 0 580.980 5.932 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732046 1071579699 /nfs/dbraw/zinc/57/96/99/1071579699.db2.gz OMTQCHKIACTWTR-UHSYMONFSA-N 0 0 665.724 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732099 1071580218 /nfs/dbraw/zinc/58/02/18/1071580218.db2.gz RZXYIBIIWGDABT-JYKOFRAPSA-N 0 0 735.815 6.381 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408731349 1071582205 /nfs/dbraw/zinc/58/22/05/1071582205.db2.gz JYKCRWPKMWXGRK-UBLBMGLWSA-N 0 0 544.947 5.087 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408731362 1071582683 /nfs/dbraw/zinc/58/26/83/1071582683.db2.gz KADUWVWGFRKWSO-HSNHEXMOSA-N 0 0 560.562 5.587 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408731122 1071584573 /nfs/dbraw/zinc/58/45/73/1071584573.db2.gz JBABRQLRHGCBIV-YUJRYHFISA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl ZINC000408990596 1071587265 /nfs/dbraw/zinc/58/72/65/1071587265.db2.gz LCYUJWSLMBISGG-KBXFHMSTSA-N 0 0 673.581 6.367 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729998 1071588755 /nfs/dbraw/zinc/58/87/55/1071588755.db2.gz MPFXIGUMUWPURN-DDIUQFJASA-N 0 0 621.671 5.546 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408729241 1071592569 /nfs/dbraw/zinc/59/25/69/1071592569.db2.gz BKMYERMVYQJTRO-YVBHXKDBSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729653 1071591770 /nfs/dbraw/zinc/59/17/70/1071591770.db2.gz HOAZGZBRRUGNGX-RIFKOAFWSA-N 0 0 696.694 5.462 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408729375 1071593469 /nfs/dbraw/zinc/59/34/69/1071593469.db2.gz ZFSUIOQLAKLRPN-AGYDLCDTSA-N 0 0 568.221 5.313 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728950 1071594272 /nfs/dbraw/zinc/59/42/72/1071594272.db2.gz BEBFHKWPYIBAIT-FUFNRSNVSA-N 0 0 660.502 5.989 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Br)c1 ZINC000408989569 1071595349 /nfs/dbraw/zinc/59/53/49/1071595349.db2.gz IGWRMYZKSHAHDV-KUAKTGBJSA-N 0 0 745.658 6.960 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408989624 1071595740 /nfs/dbraw/zinc/59/57/40/1071595740.db2.gz ULLFKRQIHCLEFC-SUAMDDGLSA-N 0 0 624.071 5.027 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408989017 1071599555 /nfs/dbraw/zinc/59/95/55/1071599555.db2.gz GOBHQJIVKYCADL-UHFFFAOYSA-N 0 0 599.719 7.911 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408727560 1071599913 /nfs/dbraw/zinc/59/99/13/1071599913.db2.gz QKZKBJUCKVEIEH-FBHDLOMBSA-N 0 0 527.898 6.198 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000408738827 1071607699 /nfs/dbraw/zinc/60/76/99/1071607699.db2.gz WBJIBCXBXLFVBA-MUUNZHRXSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408997143 1071613927 /nfs/dbraw/zinc/61/39/27/1071613927.db2.gz RRECZVUMDGIYMN-JOHYPREOSA-N 0 0 742.673 6.907 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408996960 1071615929 /nfs/dbraw/zinc/61/59/29/1071615929.db2.gz FQCVQCDRWYSCPK-PNZYDNNZSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408995754 1071621620 /nfs/dbraw/zinc/62/16/20/1071621620.db2.gz DNKLWEFBRADBCM-RWTNITNYSA-N 0 0 673.339 5.492 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408995832 1071620482 /nfs/dbraw/zinc/62/04/82/1071620482.db2.gz FDELSSNZMKRZFA-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN Cc1cc(Br)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000409003880 1071634521 /nfs/dbraw/zinc/63/45/21/1071634521.db2.gz VRXSEEOZRHELFN-NDEPHWFRSA-N 0 0 586.486 6.472 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000409003321 1071637173 /nfs/dbraw/zinc/63/71/73/1071637173.db2.gz ZLNPQBJPQJXCNA-UHFFFAOYSA-N 0 0 587.474 7.518 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409003250 1071638043 /nfs/dbraw/zinc/63/80/43/1071638043.db2.gz YVQDXIXWKFQYOU-KMCFWPMWSA-N 0 0 694.747 6.266 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755816 1071641039 /nfs/dbraw/zinc/64/10/39/1071641039.db2.gz FYNQXXUXQARGAS-VPHSIRQSSA-N 0 0 689.385 7.012 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)c1C ZINC000408755809 1071641074 /nfs/dbraw/zinc/64/10/74/1071641074.db2.gz FTGRHYQVLDEOBB-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408755357 1071645879 /nfs/dbraw/zinc/64/58/79/1071645879.db2.gz KTPUGDPLDNTUQF-UHAPOFRNSA-N 0 0 601.684 5.815 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408755326 1071645988 /nfs/dbraw/zinc/64/59/88/1071645988.db2.gz KCHYZACWNDQUAI-TVRVIFGSSA-N 0 0 756.631 6.203 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999595 1071654683 /nfs/dbraw/zinc/65/46/83/1071654683.db2.gz RJDQCISWZONASP-DTDQMKFYSA-N 0 0 694.747 6.266 40 5 KKBBRN COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c32)C1=O ZINC000408998506 1071659033 /nfs/dbraw/zinc/65/90/33/1071659033.db2.gz UXZAMIVPIOGYRM-UHFFFAOYSA-N 0 0 546.377 6.680 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408997521 1071663886 /nfs/dbraw/zinc/66/38/86/1071663886.db2.gz GZGPNODQCWFIJC-ASUJOLEISA-N 0 0 562.691 5.812 40 5 KKBBRN C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000408997355 1071664379 /nfs/dbraw/zinc/66/43/79/1071664379.db2.gz FQQOIDBBSVAGHX-DWACAAAGSA-N 0 0 507.590 5.332 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408997568 1071664387 /nfs/dbraw/zinc/66/43/87/1071664387.db2.gz RVOXCVLNICRBBI-IQPMGOHCSA-N 0 0 815.686 7.159 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408997359 1071664404 /nfs/dbraw/zinc/66/44/04/1071664404.db2.gz NXDSBVSQFYUEGE-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CC(C)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408751195 1071671204 /nfs/dbraw/zinc/67/12/04/1071671204.db2.gz XONRURIRNDVRJL-UHFFFAOYSA-N 0 0 532.603 5.859 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409015379 1071672834 /nfs/dbraw/zinc/67/28/34/1071672834.db2.gz MOXRTCPWDXJNNX-VCHYOVAHSA-N 0 0 507.362 5.390 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000408750959 1071673208 /nfs/dbraw/zinc/67/32/08/1071673208.db2.gz UNWXYPSURORPKW-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409013063 1071680892 /nfs/dbraw/zinc/68/08/92/1071680892.db2.gz JXWIMPUSIRSKSK-OUXZYKPHSA-N 0 0 622.743 5.529 40 5 KKBBRN COc1ccc(OC)c(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 ZINC000408749870 1071680444 /nfs/dbraw/zinc/68/04/44/1071680444.db2.gz JRUXKHKBAUQJIY-UHFFFAOYSA-N 0 0 507.549 5.315 40 5 KKBBRN 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1071730106 /nfs/dbraw/zinc/73/01/06/1071730106.db2.gz IULNCJYNXAZQEV-MDBUFAAASA-N 0 0 568.389 5.622 40 5 KKBBRN O=C(NCc1cccc2ccccc21)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409019037 1071731268 /nfs/dbraw/zinc/73/12/68/1071731268.db2.gz OLTQOUQIDBGLLN-UHFFFAOYSA-N 0 0 509.565 7.560 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408763417 1071731898 /nfs/dbraw/zinc/73/18/98/1071731898.db2.gz ODEYMGXKHAWGBY-OTHIGLTOSA-N 0 0 756.631 6.203 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000409035887 1071747504 /nfs/dbraw/zinc/74/75/04/1071747504.db2.gz KNLROTZYGQTNCQ-ZMTYCLHQSA-N 0 0 678.163 5.736 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035382 1071752953 /nfs/dbraw/zinc/75/29/53/1071752953.db2.gz JRQBZWHHMSXOKK-QQMBNGEASA-N 0 0 643.718 5.081 40 5 KKBBRN COc1cccc2c(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c21 ZINC000408776369 1071750926 /nfs/dbraw/zinc/75/09/26/1071750926.db2.gz ZLZKPGPUQHTYJD-NWNCVJAISA-N 0 0 610.695 6.384 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 ZINC000409034843 1071756053 /nfs/dbraw/zinc/75/60/53/1071756053.db2.gz IGHSQIZAIDVXGB-VEPRTGNQSA-N 0 0 724.839 7.618 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408774665 1071758903 /nfs/dbraw/zinc/75/89/03/1071758903.db2.gz PZVJRDRLKIXKJM-UTAOYMJKSA-N 0 0 662.724 5.378 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408774660 1071758999 /nfs/dbraw/zinc/75/89/99/1071758999.db2.gz PZVJRDRLKIXKJM-GONGWJOBSA-N 0 0 662.724 5.378 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409033820 1071765786 /nfs/dbraw/zinc/76/57/86/1071765786.db2.gz GCOCUQAULGXZRD-XDYZZPCYSA-N 0 0 671.175 6.152 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033769 1071767397 /nfs/dbraw/zinc/76/73/97/1071767397.db2.gz PLHNNGYUKIGCHX-PGNBASISSA-N 0 0 766.225 5.288 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033470 1071770496 /nfs/dbraw/zinc/77/04/96/1071770496.db2.gz LKCNFKMDAMEKPE-RIURADFVSA-N 0 0 835.513 6.305 40 5 KKBBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408772521 1071773491 /nfs/dbraw/zinc/77/34/91/1071773491.db2.gz MMKZBXOZUCJRQZ-ZGOFBEGVSA-N 0 0 505.596 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408772397 1071773907 /nfs/dbraw/zinc/77/39/07/1071773907.db2.gz OTGWIURNLJBZBJ-MFCBUNOESA-N 0 0 759.498 6.532 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032682 1071777688 /nfs/dbraw/zinc/77/76/88/1071777688.db2.gz MHXIUUPFXNYIEG-FZEVDNDPSA-N 0 0 712.608 6.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032213 1071781114 /nfs/dbraw/zinc/78/11/14/1071781114.db2.gz LQOKEMSSNQLKHY-XSTKMXAKSA-N 0 0 712.608 6.388 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409031816 1071785085 /nfs/dbraw/zinc/78/50/85/1071785085.db2.gz BMAQEGVTCRQGIC-UQDCTOEPSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC(C)C)c(OC)c3)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000409031099 1071791615 /nfs/dbraw/zinc/79/16/15/1071791615.db2.gz GILSZHOUYDDLSS-DBHVVYFFSA-N 0 0 794.677 6.021 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769892 1071789748 /nfs/dbraw/zinc/78/97/48/1071789748.db2.gz QHITYPJZRCARIZ-HWANIQDNSA-N 0 0 674.760 5.427 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030927 1071793193 /nfs/dbraw/zinc/79/31/93/1071793193.db2.gz FRZAYDRWMGIXLZ-GWRYVSOYSA-N 0 0 848.510 6.448 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769275 1071793715 /nfs/dbraw/zinc/79/37/15/1071793715.db2.gz MJIRQBFJHQNGAM-BHFPBWTASA-N 0 0 803.482 5.836 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030622 1071795847 /nfs/dbraw/zinc/79/58/47/1071795847.db2.gz GUBZNJHQKDHXOR-OIUASMPBSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030695 1071796387 /nfs/dbraw/zinc/79/63/87/1071796387.db2.gz FGGAZFGUXWHZQY-IMUCPKNRSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029635 1071806082 /nfs/dbraw/zinc/80/60/82/1071806082.db2.gz CAGTXQAAEVWDSY-PNQAETMRSA-N 0 0 722.216 6.133 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029829 1071804845 /nfs/dbraw/zinc/80/48/45/1071804845.db2.gz CLQWISVGDULEFR-BXMULHQWSA-N 0 0 848.510 6.448 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029831 1071805249 /nfs/dbraw/zinc/80/52/49/1071805249.db2.gz CLQWISVGDULEFR-FZEVDNDPSA-N 0 0 848.510 6.448 40 5 KKBBRN COc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409029091 1071810598 /nfs/dbraw/zinc/81/05/98/1071810598.db2.gz VTHGEPAFLROBDN-UHFFFAOYSA-N 0 0 598.530 5.464 40 5 KKBBRN CC(=O)Oc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408782248 1071811150 /nfs/dbraw/zinc/81/11/50/1071811150.db2.gz GDGBHTBJBJPWRQ-LNXFQTKESA-N 0 0 681.362 5.677 40 5 KKBBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N(C)C1=S ZINC000409037377 1071823804 /nfs/dbraw/zinc/82/38/04/1071823804.db2.gz NHWDXFXYNMLNHH-YVLHZVERSA-N 0 0 555.248 5.119 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037525 1071822829 /nfs/dbraw/zinc/82/28/29/1071822829.db2.gz SQTNWMQRKCSERN-SOJUGJLBSA-N 0 0 799.640 5.695 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408781217 1071818921 /nfs/dbraw/zinc/81/89/21/1071818921.db2.gz BKZSXUIFTVJKCB-AOLPSBPOSA-N 0 0 713.335 6.545 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408779969 1071827091 /nfs/dbraw/zinc/82/70/91/1071827091.db2.gz OVPQMFSFRIFEET-ODSXNOBESA-N 0 0 779.510 8.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408779396 1071830199 /nfs/dbraw/zinc/83/01/99/1071830199.db2.gz DOHRLIKCHUIXNC-QARYAGPDSA-N 0 0 731.394 5.950 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408779167 1071830987 /nfs/dbraw/zinc/83/09/87/1071830987.db2.gz AZASDYCPXSFXPL-PLNPHXOGSA-N 0 0 635.673 5.562 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 ZINC000408778273 1071838891 /nfs/dbraw/zinc/83/88/91/1071838891.db2.gz RYLLNOBPIFRTCL-USDTVRPUSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408786651 1071848402 /nfs/dbraw/zinc/84/84/02/1071848402.db2.gz LONQTWFDPXQRON-STOXBUQISA-N 0 0 645.737 6.213 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408787061 1071845361 /nfs/dbraw/zinc/84/53/61/1071845361.db2.gz QGJJZAUPKVNGMY-FVUNBJOLSA-N 0 0 697.169 6.032 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000409043685 1071857563 /nfs/dbraw/zinc/85/75/63/1071857563.db2.gz ZBAXGHVTXOMXAP-FSIJRYPJSA-N 0 0 803.735 8.383 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408784681 1071863936 /nfs/dbraw/zinc/86/39/36/1071863936.db2.gz RTPZODXCYKHUMQ-PNZYDNNZSA-N 0 0 640.537 5.110 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408783814 1071868345 /nfs/dbraw/zinc/86/83/45/1071868345.db2.gz RIPWUVQCWSUCBT-PNZYDNNZSA-N 0 0 587.439 5.940 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042219 1071873349 /nfs/dbraw/zinc/87/33/49/1071873349.db2.gz WTTPAECYJACPSX-FZEVDNDPSA-N 0 0 895.510 6.291 40 5 KKBBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1Nc1ccccc1 ZINC000408796116 1071879767 /nfs/dbraw/zinc/87/97/67/1071879767.db2.gz DRQMVMSUYBIPPR-GPWKXQAKSA-N 0 0 523.034 7.562 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039343 1071898644 /nfs/dbraw/zinc/89/86/44/1071898644.db2.gz QLVMAQRKEMOQSV-ZMTYCLHQSA-N 0 0 752.640 5.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039697 1071896445 /nfs/dbraw/zinc/89/64/45/1071896445.db2.gz XFVDQIRRIRQECU-IVQFASICSA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408789099 1071896677 /nfs/dbraw/zinc/89/66/77/1071896677.db2.gz JHDVUSQKFCBFHH-PEPUGYCWSA-N 0 0 915.569 7.354 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038857 1071904792 /nfs/dbraw/zinc/90/47/92/1071904792.db2.gz VZNIAQLOJIQDEW-QEEORQGDSA-N 0 0 756.617 5.543 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409039333 1071901246 /nfs/dbraw/zinc/90/12/46/1071901246.db2.gz GEYNKMFMMHMPRJ-PBKKUYBVSA-N 0 0 721.413 6.825 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000409039058 1071901350 /nfs/dbraw/zinc/90/13/50/1071901350.db2.gz WCDOLAORZOKLIO-UAMLYEQYSA-N 0 0 648.137 5.728 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000409039146 1071901850 /nfs/dbraw/zinc/90/18/50/1071901850.db2.gz WLKIHDFDBSOYBX-LCQSEVKBSA-N 0 0 622.099 5.717 40 5 KKBBRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408804680 1071909352 /nfs/dbraw/zinc/90/93/52/1071909352.db2.gz GMXTYUCJWAHBFD-DZYCKFBSSA-N 0 0 565.719 7.960 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409054965 1071930082 /nfs/dbraw/zinc/93/00/82/1071930082.db2.gz WRWHNQYEZAAMKT-UCQKPKSFSA-N 0 0 528.945 6.082 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccccc1 ZINC000409052690 1071944929 /nfs/dbraw/zinc/94/49/29/1071944929.db2.gz VLMWVKCCLPWMFC-HMAPJEAMSA-N 0 0 634.302 6.814 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409051839 1071949843 /nfs/dbraw/zinc/94/98/43/1071949843.db2.gz GOOZETJFXRTYTI-UUYOSTAYSA-N 0 0 618.303 7.244 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000409058631 1071985513 /nfs/dbraw/zinc/98/55/13/1071985513.db2.gz UHPLYKSKMQIOBQ-MTJSOVHGSA-N 0 0 501.347 6.722 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409057674 1071991937 /nfs/dbraw/zinc/99/19/37/1071991937.db2.gz HTCXRPNZGOGFOE-UCQKPKSFSA-N 0 0 612.458 5.093 40 5 KKBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409066718 1072001577 /nfs/dbraw/zinc/00/15/77/1072001577.db2.gz BHUFQBUCANENPA-DTQASYIRSA-N 0 0 511.339 5.078 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409060096 1072035846 /nfs/dbraw/zinc/03/58/46/1072035846.db2.gz SPQODMOFXPKEBC-WQRHYEAKSA-N 0 0 664.259 6.219 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409076979 1072046028 /nfs/dbraw/zinc/04/60/28/1072046028.db2.gz CUSWRZLVNSKYEP-FATJQOLTSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409076810 1072047436 /nfs/dbraw/zinc/04/74/36/1072047436.db2.gz BXEQFMFNDRBYDM-WQNUKSJVSA-N 0 0 794.451 6.596 40 5 KKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409079789 1072128837 /nfs/dbraw/zinc/12/88/37/1072128837.db2.gz LURAJOUJDGMDAZ-UHFFFAOYSA-N 0 0 537.575 8.522 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1cccc2ccccc21 ZINC000409078997 1072139982 /nfs/dbraw/zinc/13/99/82/1072139982.db2.gz KAHRTOXZUZWNAO-YPCWPJDZSA-N 0 0 728.621 6.598 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1cccc2ccccc21 ZINC000409078994 1072139999 /nfs/dbraw/zinc/13/99/99/1072139999.db2.gz KAHRTOXZUZWNAO-YIDORKBYSA-N 0 0 728.621 6.598 40 5 KKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409077697 1072153816 /nfs/dbraw/zinc/15/38/16/1072153816.db2.gz FKOUWWRSDAZSIZ-UHFFFAOYSA-N 0 0 514.368 8.036 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086233 1072168061 /nfs/dbraw/zinc/16/80/61/1072168061.db2.gz QDRKHTRDOYBYLW-YPCWPJDZSA-N 0 0 745.652 6.188 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409086281 1072168702 /nfs/dbraw/zinc/16/87/02/1072168702.db2.gz GRBWZISNKGJYCA-KMYVYOQISA-N 0 0 695.779 5.198 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409085597 1072177303 /nfs/dbraw/zinc/17/73/03/1072177303.db2.gz BXHPKROOMDXUFK-NNAGEYCMSA-N 0 0 592.633 5.051 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409085726 1072175497 /nfs/dbraw/zinc/17/54/97/1072175497.db2.gz CWMSDQBPDZDUKG-BPOMCQNBSA-N 0 0 669.763 6.102 40 5 KKBBRN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409085421 1072178847 /nfs/dbraw/zinc/17/88/47/1072178847.db2.gz XCMAPENAAQDLQR-NDENLUEZSA-N 0 0 501.992 5.226 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409084203 1072191829 /nfs/dbraw/zinc/19/18/29/1072191829.db2.gz BWFGASYLIWPPIL-BJYVYPIYSA-N 0 0 693.807 5.922 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409084154 1072194459 /nfs/dbraw/zinc/19/44/59/1072194459.db2.gz ABVWCHSQPOGYRI-HRIDGTDGSA-N 0 0 627.078 5.704 40 5 KKBBRN O=C(Nc1ccccc1I)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409083675 1072199112 /nfs/dbraw/zinc/19/91/12/1072199112.db2.gz OKZGNFUIPXCPGG-UHFFFAOYSA-N 0 0 571.374 7.334 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccccc4F)c(I)c3)sc2=N1 ZINC000409083208 1072202959 /nfs/dbraw/zinc/20/29/59/1072202959.db2.gz KSLQUHLCRVRRDL-CCVBWGSMSA-N 0 0 839.421 6.022 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409082761 1072208032 /nfs/dbraw/zinc/20/80/32/1072208032.db2.gz NAUKDHBBMZWJJE-HRIDGTDGSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082807 1072208506 /nfs/dbraw/zinc/20/85/06/1072208506.db2.gz SXLLINRXNQKBGX-XSTKMXAKSA-N 0 0 708.587 5.455 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409096060 1072236225 /nfs/dbraw/zinc/23/62/25/1072236225.db2.gz JLJICUUIGSWYPC-QTTRZTASSA-N 0 0 591.089 5.234 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409095767 1072238123 /nfs/dbraw/zinc/23/81/23/1072238123.db2.gz IYGMDJAESVZPMH-ZVHZXABRSA-N 0 0 642.484 6.019 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409095547 1072238618 /nfs/dbraw/zinc/23/86/18/1072238618.db2.gz HZQYIIICLYPFJI-KEBDBYFISA-N 0 0 518.740 6.231 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409095532 1072240044 /nfs/dbraw/zinc/24/00/44/1072240044.db2.gz HZKWCAHZQPKXOY-MKWGYRPRSA-N 0 0 696.605 5.199 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094582 1072245408 /nfs/dbraw/zinc/24/54/08/1072245408.db2.gz FCBGYYAVCZVBNR-OXDPQRGISA-N 0 0 678.796 5.861 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409093308 1072254645 /nfs/dbraw/zinc/25/46/45/1072254645.db2.gz YTPXAWYOTJTPCK-AOFXREQWSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091167 1072272954 /nfs/dbraw/zinc/27/29/54/1072272954.db2.gz PXJVCDBNQVPMJI-INJWXVQMSA-N 0 0 698.548 5.145 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409090696 1072279697 /nfs/dbraw/zinc/27/96/97/1072279697.db2.gz NLGCUHHVIJGUSU-JLHDDXNDSA-N 0 0 606.660 5.359 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409089904 1072285313 /nfs/dbraw/zinc/28/53/13/1072285313.db2.gz PBPVVRDWJAZBKK-FHMSYZJOSA-N 0 0 619.168 5.816 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409089964 1072285760 /nfs/dbraw/zinc/28/57/60/1072285760.db2.gz PLAWNDPXWMEXKI-QTTRZTASSA-N 0 0 591.089 5.234 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409089113 1072293736 /nfs/dbraw/zinc/29/37/36/1072293736.db2.gz NBVRYUWVQGFGGW-YDZHTSKRSA-N 0 0 691.354 6.773 40 5 KKBBRN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409088862 1072294087 /nfs/dbraw/zinc/29/40/87/1072294087.db2.gz HJHLJFOIUOYLJI-NDENLUEZSA-N 0 0 593.443 5.177 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409088902 1072294602 /nfs/dbraw/zinc/29/46/02/1072294602.db2.gz MEZCQGDZDAKYRO-YDZHTSKRSA-N 0 0 564.982 5.066 40 5 KKBBRN O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC(=S)N1C1CCCCC1 ZINC000409088524 1072298568 /nfs/dbraw/zinc/29/85/68/1072298568.db2.gz KEYDLMFATSWHMV-MOSHPQCFSA-N 0 0 516.417 5.327 40 5 KKBBRN COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc(Cl)cc1 ZINC000409088530 1072299106 /nfs/dbraw/zinc/29/91/06/1072299106.db2.gz FZVQCSGCQYPOID-LCQSEVKBSA-N 0 0 634.110 5.336 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409102033 1072310582 /nfs/dbraw/zinc/31/05/82/1072310582.db2.gz ZQEZJAHAZPMQJX-IMUCPKNRSA-N 0 0 658.802 5.489 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101548 1072313344 /nfs/dbraw/zinc/31/33/44/1072313344.db2.gz YXXDLHXUKLPTBY-QTTRZTASSA-N 0 0 591.089 5.234 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c1 ZINC000409100473 1072320144 /nfs/dbraw/zinc/32/01/44/1072320144.db2.gz NTHDKBSZNDWAAG-WGOQTCKBSA-N 0 0 536.544 5.167 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409099962 1072322550 /nfs/dbraw/zinc/32/25/50/1072322550.db2.gz SENRBMHICLIWQO-JLKMOJGBSA-N 0 0 644.775 5.180 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098592 1072331355 /nfs/dbraw/zinc/33/13/55/1072331355.db2.gz IWGMBRWTTRNIQO-DWLKXISJSA-N 0 0 662.768 5.753 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409098588 1072331378 /nfs/dbraw/zinc/33/13/78/1072331378.db2.gz IWGMBRWTTRNIQO-ADUBFANXSA-N 0 0 662.768 5.753 40 5 KKBBRN O=C1NC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409097503 1072336859 /nfs/dbraw/zinc/33/68/59/1072336859.db2.gz MKDFPWORUGQLAY-RGVLZGJSSA-N 0 0 528.746 5.687 40 5 KKBBRN O=C(Nc1ccc2nc(SCc3ccccc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 ZINC000409335131 1072342191 /nfs/dbraw/zinc/34/21/91/1072342191.db2.gz JVBOCLICOMXXGT-UHFFFAOYSA-N 0 0 534.619 5.222 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409107070 1072340643 /nfs/dbraw/zinc/34/06/43/1072340643.db2.gz UNBGDWYTZMOUFA-ZVHZXABRSA-N 0 0 642.484 6.019 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409106157 1072345704 /nfs/dbraw/zinc/34/57/04/1072345704.db2.gz MIIXWSZCISPIQM-UFFVCSGVSA-N 0 0 579.425 5.323 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409104113 1072357046 /nfs/dbraw/zinc/35/70/46/1072357046.db2.gz DQZCFPBHXICZHI-OBDCIHEFSA-N 0 0 679.220 5.834 40 5 KKBBRN CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409103337 1072361043 /nfs/dbraw/zinc/36/10/43/1072361043.db2.gz YBMWQPQTKMOBJW-CXUHLZMHSA-N 0 0 542.205 5.755 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1Cc1ccccc1 ZINC000409113949 1072369176 /nfs/dbraw/zinc/36/91/76/1072369176.db2.gz HVBSFLHMMFBIAK-UUWRZZSWSA-N 0 0 590.079 8.189 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(I)cc1 ZINC000409331272 1072370758 /nfs/dbraw/zinc/37/07/58/1072370758.db2.gz NMATYCBTWVWDRC-VXLYETTFSA-N 0 0 609.785 5.788 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000409114406 1072380968 /nfs/dbraw/zinc/38/09/68/1072380968.db2.gz HKKFFOHRBVDIFQ-PGUFJCEWSA-N 0 0 620.105 8.197 40 5 KKBBRN COc1cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113874 1072383342 /nfs/dbraw/zinc/38/33/42/1072383342.db2.gz GDQWEQQNCMXLNO-DEOSSOPVSA-N 0 0 656.429 5.853 40 5 KKBBRN COc1ccc(OC)c([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1 ZINC000409111235 1072393425 /nfs/dbraw/zinc/39/34/25/1072393425.db2.gz BAAUJSYNXCDYHD-LJAQVGFWSA-N 0 0 509.562 5.973 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409111251 1072393448 /nfs/dbraw/zinc/39/34/48/1072393448.db2.gz BBBSORJSEUJKQZ-CLNXTWJPSA-N 0 0 666.785 5.115 40 5 KKBBRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409111103 1072394530 /nfs/dbraw/zinc/39/45/30/1072394530.db2.gz AHXKCMFNOVPMLR-UUYOSTAYSA-N 0 0 537.410 6.488 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409328169 1072394612 /nfs/dbraw/zinc/39/46/12/1072394612.db2.gz PQAMOMUDEVDQLK-MTJSOVHGSA-N 0 0 599.419 5.618 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000409337185 1072402918 /nfs/dbraw/zinc/40/29/18/1072402918.db2.gz YNKFAKUPNVCMIB-GDZXGLFHSA-N 0 0 560.562 5.587 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409108877 1072403611 /nfs/dbraw/zinc/40/36/11/1072403611.db2.gz ZCIDNAJUUIADCE-SAGCDJCOSA-N 0 0 654.192 5.977 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409108508 1072407419 /nfs/dbraw/zinc/40/74/19/1072407419.db2.gz WJDUHKAQQSWNSB-OXDPQRGISA-N 0 0 678.796 5.861 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409108283 1072408073 /nfs/dbraw/zinc/40/80/73/1072408073.db2.gz ZILBPIBUGSLURN-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108309 1072408090 /nfs/dbraw/zinc/40/80/90/1072408090.db2.gz ZVRJXWDGCVDGIP-KKGHXWGNSA-N 0 0 697.795 5.604 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409346714 1072413466 /nfs/dbraw/zinc/41/34/66/1072413466.db2.gz LDCDICYTZORMSO-RGVLZGJSSA-N 0 0 589.367 5.443 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C ZINC000409346318 1072416969 /nfs/dbraw/zinc/41/69/69/1072416969.db2.gz KAXKCMZKTKMACM-HXUWFJFHSA-N 0 0 551.456 5.196 40 5 KKBBRN COc1cc(CNc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122447 1072421465 /nfs/dbraw/zinc/42/14/65/1072421465.db2.gz YWWQBTRAATXMLE-UHFFFAOYSA-N 0 0 518.351 6.016 40 5 KKBBRN C[C@H](NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409122528 1072422126 /nfs/dbraw/zinc/42/21/26/1072422126.db2.gz ZESUXNVSSHIRTC-ZSQPVGNWSA-N 0 0 626.713 7.212 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000409122378 1072422954 /nfs/dbraw/zinc/42/29/54/1072422954.db2.gz XJTIEKHSGDLYGD-UHFFFAOYSA-N 0 0 535.569 6.795 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409345643 1072423659 /nfs/dbraw/zinc/42/36/59/1072423659.db2.gz INTIWZHBDBMZRB-QFEZKATASA-N 0 0 595.655 5.469 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000409120608 1072430044 /nfs/dbraw/zinc/43/00/44/1072430044.db2.gz UQABEJPUUCFEJI-PGUFJCEWSA-N 0 0 664.556 8.306 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409344384 1072432209 /nfs/dbraw/zinc/43/22/09/1072432209.db2.gz JBHBVBHOPPKYES-RGVLZGJSSA-N 0 0 585.392 5.228 40 5 KKBBRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119709 1072434582 /nfs/dbraw/zinc/43/45/82/1072434582.db2.gz QBTVMEJYSWPWHI-UHFFFAOYSA-N 0 0 582.394 7.191 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344024 1072436522 /nfs/dbraw/zinc/43/65/22/1072436522.db2.gz JAHLMKIVILLVHQ-XGLZOBASSA-N 0 0 821.431 5.803 40 5 KKBBRN COc1cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119162 1072438021 /nfs/dbraw/zinc/43/80/21/1072438021.db2.gz RAMUPAZHNHWAHI-XMMPIXPASA-N 0 0 564.978 5.901 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409119045 1072439135 /nfs/dbraw/zinc/43/91/35/1072439135.db2.gz RDBFNAITMVRCPN-UHFFFAOYSA-N 0 0 584.264 8.103 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C ZINC000409126433 1072452641 /nfs/dbraw/zinc/45/26/41/1072452641.db2.gz OYHTZYVYVXEDNF-RUZDIDTESA-N 0 0 556.733 5.437 40 5 KKBBRN CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000409125666 1072457724 /nfs/dbraw/zinc/45/77/24/1072457724.db2.gz AKBXBUMBPKWHRA-BHVANESWSA-N 0 0 634.132 8.587 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c(F)cccc2Cl)N1Cc1ccccc1 ZINC000409125346 1072459529 /nfs/dbraw/zinc/45/95/29/1072459529.db2.gz CYMNASSZNVAERW-HHHXNRCGSA-N 0 0 501.945 6.749 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000409125558 1072459589 /nfs/dbraw/zinc/45/95/89/1072459589.db2.gz AXUCAPDQKWOWGI-HHHXNRCGSA-N 0 0 517.507 6.975 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409339777 1072473644 /nfs/dbraw/zinc/47/36/44/1072473644.db2.gz YFQMRDCMYGNWRO-YDZHTSKRSA-N 0 0 521.551 5.662 40 5 KKBBRN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409337794 1072490976 /nfs/dbraw/zinc/49/09/76/1072490976.db2.gz VXVUULZCICTRKV-UHFFFAOYSA-N 0 0 626.745 7.005 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000409337385 1072495626 /nfs/dbraw/zinc/49/56/26/1072495626.db2.gz ZVHSUPOWKRFYON-SIZNEBELSA-N 0 0 574.545 5.307 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409357110 1072498362 /nfs/dbraw/zinc/49/83/62/1072498362.db2.gz IXAVNHLVTJLPSK-OAQYLSRUSA-N 0 0 565.483 5.679 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409133341 1072500134 /nfs/dbraw/zinc/50/01/34/1072500134.db2.gz QIQMOCJRLLNFIZ-LFVJCYFKSA-N 0 0 539.009 6.505 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409131620 1072508146 /nfs/dbraw/zinc/50/81/46/1072508146.db2.gz YMRRJNDSPQQYBF-LPYMAVHISA-N 0 0 517.003 6.452 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N1Cc1ccccc1 ZINC000409131694 1072508557 /nfs/dbraw/zinc/50/85/57/1072508557.db2.gz YRUWGLFTTHXRGB-LHEWISCISA-N 0 0 605.694 8.688 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409131740 1072508618 /nfs/dbraw/zinc/50/86/18/1072508618.db2.gz YTYLNCKGAXYENR-KOEQRZSOSA-N 0 0 553.036 6.895 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1 ZINC000409129932 1072517860 /nfs/dbraw/zinc/51/78/60/1072517860.db2.gz VKXKJZPAYZDPIQ-PGUFJCEWSA-N 0 0 598.659 6.974 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 ZINC000409129272 1072520016 /nfs/dbraw/zinc/52/00/16/1072520016.db2.gz JFEAPMSCFKQJNI-LFVJCYFKSA-N 0 0 553.434 6.605 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409351504 1072533774 /nfs/dbraw/zinc/53/37/74/1072533774.db2.gz WSUFRALYQBZOAZ-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143839 1072538955 /nfs/dbraw/zinc/53/89/55/1072538955.db2.gz IVNOFIWXEFRJHA-ZWTBYVTRSA-N 0 0 761.876 6.772 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409143704 1072540434 /nfs/dbraw/zinc/54/04/34/1072540434.db2.gz GUMPCFBNCLOHGE-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409142898 1072543987 /nfs/dbraw/zinc/54/39/87/1072543987.db2.gz DYWIAMHZQYJXQK-ZNRKBWGRSA-N 0 0 684.199 6.055 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142962 1072544504 /nfs/dbraw/zinc/54/45/04/1072544504.db2.gz SJTGQYSSMUCIQX-JBDHCHCMSA-N 0 0 604.084 5.247 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br ZINC000409349615 1072547970 /nfs/dbraw/zinc/54/79/70/1072547970.db2.gz VSXHNFTWOYRZLJ-XKZIYDEJSA-N 0 0 568.405 5.611 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 ZINC000409141362 1072554472 /nfs/dbraw/zinc/55/44/72/1072554472.db2.gz JLZBGAZPZJFGLD-PMERELPUSA-N 0 0 537.641 6.450 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409141227 1072554966 /nfs/dbraw/zinc/55/49/66/1072554966.db2.gz JBQULYQBYSUOBN-UFKHLRDRSA-N 0 0 691.835 6.525 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141168 1072555055 /nfs/dbraw/zinc/55/50/55/1072555055.db2.gz MHFWMTDGGMGRLW-FHQMNNMHSA-N 0 0 818.484 6.360 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1Br ZINC000409348492 1072556551 /nfs/dbraw/zinc/55/65/51/1072556551.db2.gz SXRRZQNFSFCPQS-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000409139414 1072565295 /nfs/dbraw/zinc/56/52/95/1072565295.db2.gz AGUMKJKENJSTNI-BHVANESWSA-N 0 0 634.132 8.587 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc([C@@H]3N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc4C(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409146957 1072578067 /nfs/dbraw/zinc/57/80/67/1072578067.db2.gz LWNKXTVYKMFQRW-PSXMRANNSA-N 0 0 612.686 7.282 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409146416 1072581952 /nfs/dbraw/zinc/58/19/52/1072581952.db2.gz RTXRSRRGRJFNFC-AFHFHYJJSA-N 0 0 772.839 6.062 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409146183 1072583757 /nfs/dbraw/zinc/58/37/57/1072583757.db2.gz KBIBVGRZBCMCDR-FSJBWODESA-N 0 0 561.454 6.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409145256 1072588778 /nfs/dbraw/zinc/58/87/78/1072588778.db2.gz NMEFJWKVEYECKO-MXLMUYMQSA-N 0 0 758.676 6.173 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409157260 1072591578 /nfs/dbraw/zinc/59/15/78/1072591578.db2.gz UTCYGXLKTWHASM-DHRITJCHSA-N 0 0 626.043 5.688 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl ZINC000409157062 1072592056 /nfs/dbraw/zinc/59/20/56/1072592056.db2.gz UNWCLPDONIHLGL-BHGWPJFGSA-N 0 0 742.910 8.064 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl ZINC000409157147 1072592486 /nfs/dbraw/zinc/59/24/86/1072592486.db2.gz QCTWFRLAAPXWLL-ZMOGYAJESA-N 0 0 596.017 5.679 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409156601 1072594268 /nfs/dbraw/zinc/59/42/68/1072594268.db2.gz KUSRUZHYTAUDIQ-ZVHZXABRSA-N 0 0 689.484 5.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409362270 1072595932 /nfs/dbraw/zinc/59/59/32/1072595932.db2.gz TUPIIPHLYONKNL-GKTKDVHMSA-N 0 0 713.006 6.018 40 5 KKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409362023 1072596332 /nfs/dbraw/zinc/59/63/32/1072596332.db2.gz RQTIMUNNFJIVET-FQEVSTJZSA-N 0 0 522.458 6.323 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl ZINC000409155240 1072601905 /nfs/dbraw/zinc/60/19/05/1072601905.db2.gz QDTBICKVZKBFDX-YDZHTSKRSA-N 0 0 662.902 6.903 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409155008 1072602366 /nfs/dbraw/zinc/60/23/66/1072602366.db2.gz PSFXEBAXEHLWSZ-JFLMPSFJSA-N 0 0 794.020 7.462 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409154735 1072603947 /nfs/dbraw/zinc/60/39/47/1072603947.db2.gz KUMNITZITULSIJ-FMCGGJTJSA-N 0 0 581.990 5.289 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409154497 1072606151 /nfs/dbraw/zinc/60/61/51/1072606151.db2.gz BEYCSYFCYKKXFP-ZVHZXABRSA-N 0 0 673.485 6.161 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409154105 1072607270 /nfs/dbraw/zinc/60/72/70/1072607270.db2.gz JSIWBYFCIYNJND-LSHDLFTRSA-N 0 0 612.960 5.410 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409154111 1072607293 /nfs/dbraw/zinc/60/72/93/1072607293.db2.gz FUZIQDHSYAEDCE-ZVHZXABRSA-N 0 0 551.552 5.387 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409360663 1072607252 /nfs/dbraw/zinc/60/72/52/1072607252.db2.gz BTDVBUKWVKOTRN-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409153937 1072609839 /nfs/dbraw/zinc/60/98/39/1072609839.db2.gz JHSLTMVJMAZOIQ-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409153532 1072610900 /nfs/dbraw/zinc/61/09/00/1072610900.db2.gz LXYFMJZNMFYZPY-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409153620 1072611430 /nfs/dbraw/zinc/61/14/30/1072611430.db2.gz MJGJHSGORXRFAB-BRJLIKDPSA-N 0 0 671.040 6.199 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409153013 1072614759 /nfs/dbraw/zinc/61/47/59/1072614759.db2.gz KOMQCNBKYRFYMA-SSDVNMTOSA-N 0 0 652.401 6.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409358963 1072615764 /nfs/dbraw/zinc/61/57/64/1072615764.db2.gz MEXNTKYYIRZPEO-RBMXVJLZSA-N 0 0 794.451 6.514 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409152887 1072615923 /nfs/dbraw/zinc/61/59/23/1072615923.db2.gz LMWYJXIOZGLSIV-SSDVNMTOSA-N 0 0 569.979 5.587 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl ZINC000409151979 1072621492 /nfs/dbraw/zinc/62/14/92/1072621492.db2.gz IKMDYMBERRFTIS-VULFUBBASA-N 0 0 640.070 6.078 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl ZINC000409151466 1072622854 /nfs/dbraw/zinc/62/28/54/1072622854.db2.gz BOCNJCTWZWREDA-NVMNQCDNSA-N 0 0 538.365 5.143 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409151023 1072626672 /nfs/dbraw/zinc/62/66/72/1072626672.db2.gz FZCXFCPFIKFGHA-AFUMVMLFSA-N 0 0 579.656 5.969 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409149774 1072633597 /nfs/dbraw/zinc/63/35/97/1072633597.db2.gz QLZKEDFPVLIQBO-JVWAILMASA-N 0 0 649.638 5.206 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409149406 1072637143 /nfs/dbraw/zinc/63/71/43/1072637143.db2.gz FJBWUYZAOIEVBY-HRIDGTDGSA-N 0 0 669.188 5.994 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409149418 1072637153 /nfs/dbraw/zinc/63/71/53/1072637153.db2.gz FVFWSHQDDMJICF-MFKUBSTISA-N 0 0 628.585 5.918 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)o1 ZINC000409374388 1072638754 /nfs/dbraw/zinc/63/87/54/1072638754.db2.gz OITNPAQFGZMTGJ-WSDLNYQXSA-N 0 0 521.551 5.464 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409373936 1072640581 /nfs/dbraw/zinc/64/05/81/1072640581.db2.gz IVOJNOIWJXZREW-CVKSISIWSA-N 0 0 575.643 6.173 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409148048 1072645299 /nfs/dbraw/zinc/64/52/99/1072645299.db2.gz XWIIENVCLHAXKB-URFJJRPFSA-N 0 0 679.780 5.410 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409372294 1072646054 /nfs/dbraw/zinc/64/60/54/1072646054.db2.gz DDOABSUJYWAIEN-WYMPLXKRSA-N 0 0 615.586 7.015 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147379 1072648951 /nfs/dbraw/zinc/64/89/51/1072648951.db2.gz YWNUWCOJJNDGNP-JYNXQWRTSA-N 0 0 717.425 6.663 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409371027 1072651314 /nfs/dbraw/zinc/65/13/14/1072651314.db2.gz AKABGPIEVQCZHQ-CFRMEGHHSA-N 0 0 610.486 6.537 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409165675 1072653697 /nfs/dbraw/zinc/65/36/97/1072653697.db2.gz AVUUDKXGSDPMNI-YDZHTSKRSA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164855 1072657399 /nfs/dbraw/zinc/65/73/99/1072657399.db2.gz OSARANJWDQBLJQ-SRZZPIQSSA-N 0 0 584.950 5.632 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl ZINC000409163963 1072662130 /nfs/dbraw/zinc/66/21/30/1072662130.db2.gz AJHZZWGRYXBUOO-AFUMVMLFSA-N 0 0 610.044 6.069 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409161470 1072677231 /nfs/dbraw/zinc/67/72/31/1072677231.db2.gz XSFHZCQBVUZPEI-MFKUBSTISA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)o1 ZINC000409160772 1072681410 /nfs/dbraw/zinc/68/14/10/1072681410.db2.gz ZJNBOGMOHVGYKK-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000409160161 1072684474 /nfs/dbraw/zinc/68/44/74/1072684474.db2.gz SUCXYQJAIUBQEL-DWLKXISJSA-N 0 0 679.751 6.210 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl ZINC000409159664 1072686681 /nfs/dbraw/zinc/68/66/81/1072686681.db2.gz WBTNEKJOKHRLPO-WGARJPEWSA-N 0 0 688.136 5.956 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409159745 1072687117 /nfs/dbraw/zinc/68/71/17/1072687117.db2.gz WXEIELYETSPDJU-YDZHTSKRSA-N 0 0 618.451 6.794 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409159146 1072690576 /nfs/dbraw/zinc/69/05/76/1072690576.db2.gz QDWPXLKLOSCAAP-MFKUBSTISA-N 0 0 561.616 5.864 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)o1 ZINC000409385131 1072694775 /nfs/dbraw/zinc/69/47/75/1072694775.db2.gz IAPXDFHPFHWKTP-LSHDLFTRSA-N 0 0 603.403 5.561 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409384979 1072695719 /nfs/dbraw/zinc/69/57/19/1072695719.db2.gz HYACHICJIAHERB-WSDLNYQXSA-N 0 0 617.430 5.951 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409158154 1072695914 /nfs/dbraw/zinc/69/59/14/1072695914.db2.gz SEEDATWFUBBLES-WYMPLXKRSA-N 0 0 633.626 7.202 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1C ZINC000409158173 1072695974 /nfs/dbraw/zinc/69/59/74/1072695974.db2.gz XTSUUCHIDMRDCH-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000409157712 1072698240 /nfs/dbraw/zinc/69/82/40/1072698240.db2.gz WFQLIRGLJVWUQC-DTDQMKFYSA-N 0 0 635.698 5.729 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl ZINC000409167186 1072700618 /nfs/dbraw/zinc/70/06/18/1072700618.db2.gz HNERCQDCGOKRLJ-LQKURTRISA-N 0 0 668.124 6.858 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409166481 1072704529 /nfs/dbraw/zinc/70/45/29/1072704529.db2.gz DVYOYPZNJFSZHB-WYMPLXKRSA-N 0 0 578.559 5.596 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 ZINC000409166226 1072704538 /nfs/dbraw/zinc/70/45/38/1072704538.db2.gz CEEJIGNSTZDAIC-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409382809 1072705094 /nfs/dbraw/zinc/70/50/94/1072705094.db2.gz PAPVNSYYRVXXKS-CFRMEGHHSA-N 0 0 687.366 6.320 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000409176742 1072706917 /nfs/dbraw/zinc/70/69/17/1072706917.db2.gz WIDZDLIENDIACQ-SANMLTNESA-N 0 0 524.460 5.316 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409382012 1072708381 /nfs/dbraw/zinc/70/83/81/1072708381.db2.gz XEFRPSQQKWDTJI-QFEZKATASA-N 0 0 594.045 5.457 40 5 KKBBRN CCc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409177076 1072708512 /nfs/dbraw/zinc/70/85/12/1072708512.db2.gz CIXMYJULFLUGCX-WJOKGBTCSA-N 0 0 516.553 7.153 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000409176918 1072709367 /nfs/dbraw/zinc/70/93/67/1072709367.db2.gz AXMLJWKXWYBGRD-UHFFFAOYSA-N 0 0 510.933 7.613 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409176161 1072711636 /nfs/dbraw/zinc/71/16/36/1072711636.db2.gz JEEFXHLXDNEAML-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409175747 1072714384 /nfs/dbraw/zinc/71/43/84/1072714384.db2.gz BRQNSAODJZYYKV-UHFFFAOYSA-N 0 0 603.927 6.115 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409175460 1072716524 /nfs/dbraw/zinc/71/65/24/1072716524.db2.gz ZJEISAMGOJVIDU-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409174791 1072720830 /nfs/dbraw/zinc/72/08/30/1072720830.db2.gz VEGRNPCDVGHBJO-WYMPLXKRSA-N 0 0 568.007 5.819 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409174816 1072720944 /nfs/dbraw/zinc/72/09/44/1072720944.db2.gz VOTQEYHLXXGAHB-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409393341 1072724868 /nfs/dbraw/zinc/72/48/68/1072724868.db2.gz QJIZHGTYSOTFQO-MYKKPKGFSA-N 0 0 566.433 5.332 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409392122 1072726735 /nfs/dbraw/zinc/72/67/35/1072726735.db2.gz LGQJINHUKXZOMZ-CFRMEGHHSA-N 0 0 536.009 5.613 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000409173477 1072728108 /nfs/dbraw/zinc/72/81/08/1072728108.db2.gz IPDKCHJJKSSJBE-LJQANCHMSA-N 0 0 537.429 5.186 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 ZINC000409390901 1072729343 /nfs/dbraw/zinc/72/93/43/1072729343.db2.gz YGOGZADRCLXEPU-SRZZPIQSSA-N 0 0 573.377 5.552 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000409173043 1072730760 /nfs/dbraw/zinc/73/07/60/1072730760.db2.gz LBHPWASELMCXOC-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)N1CCCCC1 ZINC000409389460 1072732459 /nfs/dbraw/zinc/73/24/59/1072732459.db2.gz ZIDOHFTWRDAPNU-XYGWBWBKSA-N 0 0 531.590 5.376 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172222 1072734449 /nfs/dbraw/zinc/73/44/49/1072734449.db2.gz DHQUSKCZVMCWNW-UHFFFAOYSA-N 0 0 673.169 5.817 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409172176 1072735738 /nfs/dbraw/zinc/73/57/38/1072735738.db2.gz COTMRIODKRMMFG-LFVJCYFKSA-N 0 0 568.438 6.882 40 5 KKBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409388504 1072737620 /nfs/dbraw/zinc/73/76/20/1072737620.db2.gz DBVKDSDUNXUXTN-UHFFFAOYSA-N 0 0 514.394 5.804 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409171890 1072738273 /nfs/dbraw/zinc/73/82/73/1072738273.db2.gz CPGYPCYAGTYRPB-GDLZYMKVSA-N 0 0 537.959 6.882 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409171705 1072738547 /nfs/dbraw/zinc/73/85/47/1072738547.db2.gz FLTBMHDQSCIWSZ-YZSQISJMSA-N 0 0 533.993 6.228 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl ZINC000409170959 1072742898 /nfs/dbraw/zinc/74/28/98/1072742898.db2.gz YJZJIKZZVWRLPK-GRSHGNNSSA-N 0 0 552.392 5.534 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400298 1072746190 /nfs/dbraw/zinc/74/61/90/1072746190.db2.gz NWGSALVIGLKWPD-WSVATBPTSA-N 0 0 714.117 5.934 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409168241 1072756748 /nfs/dbraw/zinc/75/67/48/1072756748.db2.gz LVNMRVDXVVHUPL-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409167732 1072758864 /nfs/dbraw/zinc/75/88/64/1072758864.db2.gz JLUSXHWRAKLRCY-OAQYLSRUSA-N 0 0 565.483 5.679 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409167802 1072759528 /nfs/dbraw/zinc/75/95/28/1072759528.db2.gz NJZDWOFADQNEKY-UHFFFAOYSA-N 0 0 695.175 6.353 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000409184199 1072778164 /nfs/dbraw/zinc/77/81/64/1072778164.db2.gz YDDBBLZBYHQSHW-SANMLTNESA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O ZINC000409183515 1072783058 /nfs/dbraw/zinc/78/30/58/1072783058.db2.gz UTFPOUFTLDGSMP-UHFFFAOYSA-N 0 0 562.456 6.564 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000409412328 1072789363 /nfs/dbraw/zinc/78/93/63/1072789363.db2.gz JKEGGLCMHRWNSX-UHFFFAOYSA-N 0 0 568.453 5.967 40 5 KKBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 ZINC000409182271 1072791047 /nfs/dbraw/zinc/79/10/47/1072791047.db2.gz JOKOBQGTTBWAMI-UHFFFAOYSA-N 0 0 522.513 6.107 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409182147 1072791933 /nfs/dbraw/zinc/79/19/33/1072791933.db2.gz ILAQEFIWONNSIW-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409182405 1072792085 /nfs/dbraw/zinc/79/20/85/1072792085.db2.gz LPBDZCAFBXUBAN-PMERELPUSA-N 0 0 556.530 6.330 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c(C)c1 ZINC000409181892 1072794253 /nfs/dbraw/zinc/79/42/53/1072794253.db2.gz GMNJDPDPGGKMCE-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181675 1072796490 /nfs/dbraw/zinc/79/64/90/1072796490.db2.gz DRZAYBAKXXYXQD-VWLOTQADSA-N 0 0 532.892 6.730 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409181434 1072797026 /nfs/dbraw/zinc/79/70/26/1072797026.db2.gz CLXFSGXSBOHUKI-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000409181226 1072800130 /nfs/dbraw/zinc/80/01/30/1072800130.db2.gz ZNXAECFVVCIUGH-JGCGQSQUSA-N 0 0 633.012 7.622 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000409181219 1072800200 /nfs/dbraw/zinc/80/02/00/1072800200.db2.gz ZIUNVOJJGPSWPN-UHFFFAOYSA-N 0 0 614.950 5.316 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 ZINC000409181090 1072800529 /nfs/dbraw/zinc/80/05/29/1072800529.db2.gz VZENIAGWPWXYIA-UHFFFAOYSA-N 0 0 524.573 7.294 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c(C)c1 ZINC000409180901 1072800977 /nfs/dbraw/zinc/80/09/77/1072800977.db2.gz UFWCVZNZIPETBL-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409180741 1072802524 /nfs/dbraw/zinc/80/25/24/1072802524.db2.gz ZMKZLGQAEMXQLP-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409180756 1072802572 /nfs/dbraw/zinc/80/25/72/1072802572.db2.gz ZVBNLIDHUOOJCU-FMCGGJTJSA-N 0 0 537.981 5.811 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180392 1072803625 /nfs/dbraw/zinc/80/36/25/1072803625.db2.gz RDTMQZKKPSOJCJ-UHFFFAOYSA-N 0 0 532.018 5.523 40 5 KKBBRN COc1ccc(C(=O)[C@@H](OC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)c2ccccc2)cc1 ZINC000409180464 1072803933 /nfs/dbraw/zinc/80/39/33/1072803933.db2.gz TYDDRZAMRJFTBH-NDEPHWFRSA-N 0 0 600.967 5.847 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180165 1072805876 /nfs/dbraw/zinc/80/58/76/1072805876.db2.gz PUXVFRFXEUHGDO-LQFQNGICSA-N 0 0 727.638 6.047 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409180163 1072805970 /nfs/dbraw/zinc/80/59/70/1072805970.db2.gz WTKAVDSULRCKOO-UHFFFAOYSA-N 0 0 536.949 7.457 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl ZINC000409179967 1072806714 /nfs/dbraw/zinc/80/67/14/1072806714.db2.gz RDTFTXLJFMFJHY-DEOSSOPVSA-N 0 0 501.322 5.788 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 ZINC000409179555 1072809123 /nfs/dbraw/zinc/80/91/23/1072809123.db2.gz QEWZQXRHYDEEQY-CZFRINIUSA-N 0 0 645.580 6.460 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179621 1072809507 /nfs/dbraw/zinc/80/95/07/1072809507.db2.gz QTTUHMOCMYRMPI-GDLZYMKVSA-N 0 0 524.529 5.702 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 ZINC000409179559 1072809603 /nfs/dbraw/zinc/80/96/03/1072809603.db2.gz QEWZQXRHYDEEQY-CZNDPXEESA-N 0 0 645.580 6.460 40 5 KKBBRN Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409179357 1072810028 /nfs/dbraw/zinc/81/00/28/1072810028.db2.gz MGVXDWPTNAFDJQ-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c1 ZINC000409179384 1072810093 /nfs/dbraw/zinc/81/00/93/1072810093.db2.gz MQDKJJKABWTFHV-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409179224 1072810904 /nfs/dbraw/zinc/81/09/04/1072810904.db2.gz NZUYHNLMGVTDNC-UHFFFAOYSA-N 0 0 524.573 7.294 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409179040 1072813652 /nfs/dbraw/zinc/81/36/52/1072813652.db2.gz OXKLJMDYETYIAM-LMHXZZLNSA-N 0 0 572.184 5.144 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000409178842 1072814277 /nfs/dbraw/zinc/81/42/77/1072814277.db2.gz IWLSSCFWMUSYRZ-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000409178514 1072816080 /nfs/dbraw/zinc/81/60/80/1072816080.db2.gz KMFLBLUDAGEWKR-UHFFFAOYSA-N 0 0 515.565 7.465 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccccc2Cl)cc1 ZINC000409178332 1072816888 /nfs/dbraw/zinc/81/68/88/1072816888.db2.gz KXYUEHXRUUFSRM-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409178135 1072818845 /nfs/dbraw/zinc/81/88/45/1072818845.db2.gz KSMWPUGTIVEMDT-MFKUBSTISA-N 0 0 687.512 6.415 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000409177773 1072820360 /nfs/dbraw/zinc/82/03/60/1072820360.db2.gz HADVJFXFNSIUOL-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409177713 1072821302 /nfs/dbraw/zinc/82/13/02/1072821302.db2.gz GPSCMWNPLCNLDM-HHHXNRCGSA-N 0 0 605.386 6.492 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177743 1072822058 /nfs/dbraw/zinc/82/20/58/1072822058.db2.gz GXFGPZFMMWWPCD-UHFFFAOYSA-N 0 0 637.114 5.372 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409177565 1072822694 /nfs/dbraw/zinc/82/26/94/1072822694.db2.gz ACZXLNKMOSKWOA-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409177307 1072823814 /nfs/dbraw/zinc/82/38/14/1072823814.db2.gz DDEUODCDVCVOTQ-RUZDIDTESA-N 0 0 522.340 7.475 40 5 KKBBRN COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409192411 1072825666 /nfs/dbraw/zinc/82/56/66/1072825666.db2.gz XACMHQLERAWMDP-JAIQZWGSSA-N 0 0 602.191 5.692 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Br)cc1 ZINC000409196654 1072830376 /nfs/dbraw/zinc/83/03/76/1072830376.db2.gz QVIVCQXBZROZHR-UUASQNMZSA-N 0 0 531.171 5.339 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409196147 1072832622 /nfs/dbraw/zinc/83/26/22/1072832622.db2.gz UAKOAMQRSBNOSU-ODLFYWEKSA-N 0 0 512.341 5.781 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409195741 1072834948 /nfs/dbraw/zinc/83/49/48/1072834948.db2.gz QDXZWZFCRKJZSS-UUASQNMZSA-N 0 0 575.622 5.448 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000409195664 1072836262 /nfs/dbraw/zinc/83/62/62/1072836262.db2.gz UXSTXFOJUXYDSC-DYERZYITSA-N 0 0 662.674 6.745 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409195137 1072837995 /nfs/dbraw/zinc/83/79/95/1072837995.db2.gz UARNMIOECSSXKC-UFKHLRDRSA-N 0 0 767.289 6.951 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409194687 1072840613 /nfs/dbraw/zinc/84/06/13/1072840613.db2.gz LHXJQOFCBAIHMA-FOKLQQMPSA-N 0 0 601.515 5.852 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194737 1072841008 /nfs/dbraw/zinc/84/10/08/1072841008.db2.gz QMVXLCUHLGCVBB-IMUCPKNRSA-N 0 0 824.179 7.341 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409194631 1072842406 /nfs/dbraw/zinc/84/24/06/1072842406.db2.gz QJVBLNWFYJIDSF-DDBFQISPSA-N 0 0 748.718 6.748 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409194119 1072845684 /nfs/dbraw/zinc/84/56/84/1072845684.db2.gz OCUPNUQXTMASHB-FJNIOPPGSA-N 0 0 810.152 6.949 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194055 1072847175 /nfs/dbraw/zinc/84/71/75/1072847175.db2.gz MWBFBMPZTHHCDQ-NBQDTTAVSA-N 0 0 759.266 6.298 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194074 1072847204 /nfs/dbraw/zinc/84/72/04/1072847204.db2.gz NEZKCFCWKBEXAG-IMUCPKNRSA-N 0 0 779.728 7.232 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409193948 1072847938 /nfs/dbraw/zinc/84/79/38/1072847938.db2.gz IQIBVKNPWUSPNM-ODLFYWEKSA-N 0 0 510.915 5.111 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409193005 1072852557 /nfs/dbraw/zinc/85/25/57/1072852557.db2.gz AFOSBWNGJLYYKG-AFUMVMLFSA-N 0 0 707.481 6.680 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O ZINC000409192856 1072853463 /nfs/dbraw/zinc/85/34/63/1072853463.db2.gz GCTLZPZXLLSIQG-ZTEAAMANSA-N 0 0 563.316 5.049 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000409192334 1072856709 /nfs/dbraw/zinc/85/67/09/1072856709.db2.gz WLNBFMHVGITVBL-KPFFVQBGSA-N 0 0 609.385 5.346 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409192110 1072857178 /nfs/dbraw/zinc/85/71/78/1072857178.db2.gz AHEFNGSDMCUYHK-UWVJOHFNSA-N 0 0 641.055 6.990 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409191915 1072858057 /nfs/dbraw/zinc/85/80/57/1072858057.db2.gz QGMRORHFTKCDFN-AOFXREQWSA-N 0 0 768.708 7.519 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409191916 1072858186 /nfs/dbraw/zinc/85/81/86/1072858186.db2.gz QGMRORHFTKCDFN-FATJQOLTSA-N 0 0 768.708 7.519 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)O1 ZINC000409191836 1072859831 /nfs/dbraw/zinc/85/98/31/1072859831.db2.gz OKHBGVMDONDZHF-RZJANAMFSA-N 0 0 534.908 5.229 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409191628 1072860253 /nfs/dbraw/zinc/86/02/53/1072860253.db2.gz JQRNJCJAQQSLRI-FUZBLHKMSA-N 0 0 794.359 7.257 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409191232 1072864014 /nfs/dbraw/zinc/86/40/14/1072864014.db2.gz DWBGAOAJEWXHCT-PQNXSAFSSA-N 0 0 785.691 7.096 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409190758 1072867059 /nfs/dbraw/zinc/86/70/59/1072867059.db2.gz WAEUMEIZAKUJDH-VWUPUJNNSA-N 0 0 797.746 8.210 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409190434 1072870796 /nfs/dbraw/zinc/87/07/96/1072870796.db2.gz NFIDKKLEBZDHKY-TVRVIFGSSA-N 0 0 813.745 7.874 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409189310 1072876860 /nfs/dbraw/zinc/87/68/60/1072876860.db2.gz PGMMLNCZOMJDKM-NPNXEGEYSA-N 0 0 794.315 6.882 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000409188848 1072879524 /nfs/dbraw/zinc/87/95/24/1072879524.db2.gz BBBGJGIUEKLFSB-INJWXVQMSA-N 0 0 753.646 5.967 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409188528 1072882548 /nfs/dbraw/zinc/88/25/48/1072882548.db2.gz CRNSVORRVVJBHV-OIUASMPBSA-N 0 0 761.282 6.195 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409188046 1072884193 /nfs/dbraw/zinc/88/41/93/1072884193.db2.gz FJBJFULOXYLNFD-AOWRSFTHSA-N 0 0 583.778 5.983 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409206957 1072887394 /nfs/dbraw/zinc/88/73/94/1072887394.db2.gz XRJMAMBMIVVXDY-KEBDBYFISA-N 0 0 576.812 6.254 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409206711 1072889938 /nfs/dbraw/zinc/88/99/38/1072889938.db2.gz VZTLZJZQJWYOBU-FOKLQQMPSA-N 0 0 632.876 6.273 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409206211 1072894360 /nfs/dbraw/zinc/89/43/60/1072894360.db2.gz WEKHUJYKLPERIY-BNCCVWRVSA-N 0 0 500.747 5.538 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409205373 1072898182 /nfs/dbraw/zinc/89/81/82/1072898182.db2.gz BVFSWGDABROJSS-FBHDLOMBSA-N 0 0 590.839 6.563 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000409204050 1072906538 /nfs/dbraw/zinc/90/65/38/1072906538.db2.gz CCGACULLQSYJID-UHFFFAOYSA-N 0 0 561.057 7.618 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409203973 1072907632 /nfs/dbraw/zinc/90/76/32/1072907632.db2.gz AKHHVHQARTVQML-YVNNLAQVSA-N 0 0 681.746 7.027 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409203870 1072909119 /nfs/dbraw/zinc/90/91/19/1072909119.db2.gz YMXGIBZNJRLEMK-WSDLNYQXSA-N 0 0 589.851 7.229 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1F ZINC000409203399 1072910056 /nfs/dbraw/zinc/91/00/56/1072910056.db2.gz XTVGLCWGHDLUIF-SRZZPIQSSA-N 0 0 742.239 5.054 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409200425 1072921860 /nfs/dbraw/zinc/92/18/60/1072921860.db2.gz SDEMDVCLVYSYLB-ZVBGSRNCSA-N 0 0 633.820 6.386 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409200373 1072923276 /nfs/dbraw/zinc/92/32/76/1072923276.db2.gz LBNPWACLZJCWSG-AWQFTUOYSA-N 0 0 554.499 5.650 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409198394 1072930441 /nfs/dbraw/zinc/93/04/41/1072930441.db2.gz FMNXSWPBMJCUOI-ONUIUJJFSA-N 0 0 637.512 5.321 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409198006 1072932765 /nfs/dbraw/zinc/93/27/65/1072932765.db2.gz UHLYEQASKKFOLY-UFFVCSGVSA-N 0 0 590.839 6.563 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409197454 1072934657 /nfs/dbraw/zinc/93/46/57/1072934657.db2.gz FUZQYDGJWUKQJD-MYYYXRDXSA-N 0 0 570.583 6.009 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207491 1072942715 /nfs/dbraw/zinc/94/27/15/1072942715.db2.gz VELGMOFTCFJXCA-JJFYIABZSA-N 0 0 568.995 5.818 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccccc1F ZINC000409215634 1072948953 /nfs/dbraw/zinc/94/89/53/1072948953.db2.gz CQRBBWUPFKKQLX-SRZZPIQSSA-N 0 0 559.337 5.151 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409226552 1072973625 /nfs/dbraw/zinc/97/36/25/1072973625.db2.gz UNENLPUEEVJPRG-LSFURLLWSA-N 0 0 625.940 6.882 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409225784 1072977070 /nfs/dbraw/zinc/97/70/70/1072977070.db2.gz LAJILOPSJCABHP-CIAFOILYSA-N 0 0 551.415 5.408 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409223783 1072985854 /nfs/dbraw/zinc/98/58/54/1072985854.db2.gz HROCGXKBFSFRHI-ZMOGYAJESA-N 0 0 723.339 6.859 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2c3ccccc3cc3ccccc32)C1=O)c1ccc(Br)cc1 ZINC000409223665 1072986702 /nfs/dbraw/zinc/98/67/02/1072986702.db2.gz JEAOMQDDBSWQQJ-ZVHZXABRSA-N 0 0 502.389 6.675 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409223252 1072989372 /nfs/dbraw/zinc/98/93/72/1072989372.db2.gz DYCWVTSDGPPDMC-YDZHTSKRSA-N 0 0 521.957 5.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409222833 1072991716 /nfs/dbraw/zinc/99/17/16/1072991716.db2.gz DGQBBRBKXYSPKZ-FSJBWODESA-N 0 0 677.448 5.991 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409218034 1073014389 /nfs/dbraw/zinc/01/43/89/1073014389.db2.gz GVJYGFIWZRRQCA-SRZZPIQSSA-N 0 0 570.377 5.472 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409228623 1073026213 /nfs/dbraw/zinc/02/62/13/1073026213.db2.gz BSTIRDFDEISLCF-LICLKQGHSA-N 0 0 511.781 6.036 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)Nc1cccc(F)c1 ZINC000409237028 1073033371 /nfs/dbraw/zinc/03/33/71/1073033371.db2.gz UZQGGQDZNVGQGO-CVKSISIWSA-N 0 0 557.559 6.141 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 ZINC000409232550 1073060111 /nfs/dbraw/zinc/06/01/11/1073060111.db2.gz QZLBENGQRICNQF-AFUMVMLFSA-N 0 0 542.573 5.281 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409231462 1073065986 /nfs/dbraw/zinc/06/59/86/1073065986.db2.gz JEPPJNCZJOXHPX-WSDLNYQXSA-N 0 0 552.381 5.346 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)cc1F ZINC000409247048 1073072828 /nfs/dbraw/zinc/07/28/28/1073072828.db2.gz AXJCRXTVUKOHLF-ODCIPOBUSA-N 0 0 658.355 7.122 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 ZINC000409243705 1073092193 /nfs/dbraw/zinc/09/21/93/1073092193.db2.gz ZRMXKBWFOJZSBA-UFFVCSGVSA-N 0 0 561.469 6.220 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409240948 1073105791 /nfs/dbraw/zinc/10/57/91/1073105791.db2.gz MHKYNFZXJKPSNI-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409240175 1073110430 /nfs/dbraw/zinc/11/04/30/1073110430.db2.gz OVVGTMFXCLLIPS-SSDVNMTOSA-N 0 0 586.395 5.750 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409239396 1073113834 /nfs/dbraw/zinc/11/38/34/1073113834.db2.gz PUDBMXTYKQSFJX-WSDLNYQXSA-N 0 0 632.876 6.273 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000409237665 1073125482 /nfs/dbraw/zinc/12/54/82/1073125482.db2.gz AZMDJIVZLCSFDS-JVWAILMASA-N 0 0 569.595 6.011 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000409250612 1073133275 /nfs/dbraw/zinc/13/32/75/1073133275.db2.gz RGSCPNQJDZOBQL-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409249195 1073143724 /nfs/dbraw/zinc/14/37/24/1073143724.db2.gz JTPLQPNYNHPJCS-WSDLNYQXSA-N 0 0 552.381 5.346 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409247461 1073154098 /nfs/dbraw/zinc/15/40/98/1073154098.db2.gz CIMIMDXNTYYATK-CFRMEGHHSA-N 0 0 644.443 6.015 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409247427 1073154162 /nfs/dbraw/zinc/15/41/62/1073154162.db2.gz HFCKTMANZGFSOS-WSDLNYQXSA-N 0 0 632.876 6.273 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409254895 1073169638 /nfs/dbraw/zinc/16/96/38/1073169638.db2.gz YGENMJMHGAFPAF-SSDVNMTOSA-N 0 0 663.421 5.601 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409254089 1073177181 /nfs/dbraw/zinc/17/71/81/1073177181.db2.gz CSXXAXNUYSPIKV-AUEPDCJTSA-N 0 0 622.280 7.162 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409253011 1073183859 /nfs/dbraw/zinc/18/38/59/1073183859.db2.gz UPTRPQJFCOLGDB-LSHDLFTRSA-N 0 0 652.357 6.996 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409252162 1073189480 /nfs/dbraw/zinc/18/94/80/1073189480.db2.gz QZOOPEJMMGWQDL-BHGWPJFGSA-N 0 0 652.003 7.142 40 5 KKBBRN CCOC(=O)c1c(N)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1Nc1ccccc1C(F)(F)F ZINC000002557731 1073200522 /nfs/dbraw/zinc/20/05/22/1073200522.db2.gz UGKAUCAWOPUFHC-UHFFFAOYSA-N 0 0 513.881 6.062 40 5 KKBBRN CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c2nc(CC)n(CCCOCC)c3=O)cc1 ZINC000006150801 1073202180 /nfs/dbraw/zinc/20/21/80/1073202180.db2.gz ZUNXHLJQCDLNFB-UHFFFAOYSA-N 0 0 527.625 5.230 40 5 KKBBRN CCc1nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CCC(C)C ZINC000006150806 1073202213 /nfs/dbraw/zinc/20/22/13/1073202213.db2.gz NFUBYBIEDOOYOG-UHFFFAOYSA-N 0 0 513.951 6.564 40 5 KKBBRN COc1cc2c(=O)[nH]c3c(C(=O)N[C@@H](C)CCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC ZINC000011692065 1073203130 /nfs/dbraw/zinc/20/31/30/1073203130.db2.gz IHDQFEOACGLWEE-INIZCTEOSA-N 0 0 501.587 5.251 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409266082 1073203203 /nfs/dbraw/zinc/20/32/03/1073203203.db2.gz JNCMJAWLSFVTQX-CFRMEGHHSA-N 0 0 615.433 6.393 40 5 KKBBRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000027525326 1073205817 /nfs/dbraw/zinc/20/58/17/1073205817.db2.gz JWACPLXIFWZUOJ-UHFFFAOYSA-N 0 0 519.583 5.192 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409263071 1073219680 /nfs/dbraw/zinc/21/96/80/1073219680.db2.gz KCRSFTHMUWZSEQ-DICXZTSXSA-N 0 0 612.620 5.449 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409261815 1073225797 /nfs/dbraw/zinc/22/57/97/1073225797.db2.gz BRVBPWUETMTYSZ-DJKKODMXSA-N 0 0 604.475 5.396 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409261006 1073229642 /nfs/dbraw/zinc/22/96/42/1073229642.db2.gz ZSQIHSZCYCYEBW-FOKLQQMPSA-N 0 0 648.438 6.288 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409259864 1073237473 /nfs/dbraw/zinc/23/74/73/1073237473.db2.gz GUBFDPPIVFFPSG-MYKKPKGFSA-N 0 0 611.032 5.258 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1C ZINC000409271860 1073260389 /nfs/dbraw/zinc/26/03/89/1073260389.db2.gz DFRKAAHIXQIVSB-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271404 1073263048 /nfs/dbraw/zinc/26/30/48/1073263048.db2.gz CKZGMLVGMLCTEC-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409271375 1073264183 /nfs/dbraw/zinc/26/41/83/1073264183.db2.gz BZFKTSQAYMAUMK-BRJLIKDPSA-N 0 0 587.437 6.799 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409270971 1073266496 /nfs/dbraw/zinc/26/64/96/1073266496.db2.gz SICPDNRJEHBHFI-JJFYIABZSA-N 0 0 525.970 6.108 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1C ZINC000409270875 1073267616 /nfs/dbraw/zinc/26/76/16/1073267616.db2.gz BGEJKXOHXXLSKQ-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409270545 1073269583 /nfs/dbraw/zinc/26/95/83/1073269583.db2.gz HENCGZDQPXLCDR-UFFVCSGVSA-N 0 0 513.478 5.425 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409270103 1073272557 /nfs/dbraw/zinc/27/25/57/1073272557.db2.gz FTBBDMBCGLBKQL-WSDLNYQXSA-N 0 0 534.550 5.083 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C2=O)cc1 ZINC000409270052 1073272939 /nfs/dbraw/zinc/27/29/39/1073272939.db2.gz BMXUEUQUDSBIDS-QFEZKATASA-N 0 0 526.574 5.581 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 ZINC000409269162 1073279015 /nfs/dbraw/zinc/27/90/15/1073279015.db2.gz GHBOYIYLBLKGJC-SSDVNMTOSA-N 0 0 562.909 6.979 40 5 KKBBRN CCCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409269210 1073279348 /nfs/dbraw/zinc/27/93/48/1073279348.db2.gz HCSOBORWZXSSFT-NDENLUEZSA-N 0 0 549.399 5.464 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000409269274 1073279701 /nfs/dbraw/zinc/27/97/01/1073279701.db2.gz ALUSHGPPUAPTFI-CFRMEGHHSA-N 0 0 596.459 6.228 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269263 1073279744 /nfs/dbraw/zinc/27/97/44/1073279744.db2.gz AHUPJFCNLYNLLL-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409275780 1073296168 /nfs/dbraw/zinc/29/61/68/1073296168.db2.gz WUCFVWNXVKOPQA-WYMPLXKRSA-N 0 0 569.542 5.526 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409275439 1073298676 /nfs/dbraw/zinc/29/86/76/1073298676.db2.gz UPTVFSIBVGOVDJ-XGLKJEJJSA-N 0 0 611.699 5.158 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 ZINC000409275402 1073300317 /nfs/dbraw/zinc/30/03/17/1073300317.db2.gz JEGWRCRXZSBDCE-ASZNLBCTSA-N 0 0 606.770 5.053 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409275146 1073302172 /nfs/dbraw/zinc/30/21/72/1073302172.db2.gz ZCCGSXJPQBTTTM-SRZZPIQSSA-N 0 0 573.505 5.275 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409275115 1073303137 /nfs/dbraw/zinc/30/31/37/1073303137.db2.gz YPCYWEMCFNFRRO-QFEZKATASA-N 0 0 527.558 6.300 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409274998 1073303574 /nfs/dbraw/zinc/30/35/74/1073303574.db2.gz RVHNNQGACLCYFH-IEIVDPGYSA-N 0 0 654.814 5.802 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274080 1073314570 /nfs/dbraw/zinc/31/45/70/1073314570.db2.gz UXPAWXMREZTNCO-UUYOSTAYSA-N 0 0 550.505 5.008 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC ZINC000409274031 1073315775 /nfs/dbraw/zinc/31/57/75/1073315775.db2.gz UBBHRQBZXROZBJ-YBFXNURJSA-N 0 0 535.372 5.074 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc21 ZINC000409273804 1073317652 /nfs/dbraw/zinc/31/76/52/1073317652.db2.gz SVRXRAAXKOEQAK-AFUMVMLFSA-N 0 0 570.539 6.124 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409273547 1073318933 /nfs/dbraw/zinc/31/89/33/1073318933.db2.gz ZADVZCFERRSNST-WYMPLXKRSA-N 0 0 676.929 6.672 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409276713 1073329113 /nfs/dbraw/zinc/32/91/13/1073329113.db2.gz VLGOGHOMYNBTGH-RGVLZGJSSA-N 0 0 543.479 5.266 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409276432 1073331917 /nfs/dbraw/zinc/33/19/17/1073331917.db2.gz RASZMPSLEHTDIV-XNENXQGPSA-N 0 0 653.805 5.410 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 ZINC000006280806 193879805 /nfs/dbraw/zinc/87/98/05/193879805.db2.gz KVOQXDQCKXAXIY-KRWDZBQOSA-N 0 0 523.018 5.869 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390467 193912690 /nfs/dbraw/zinc/91/26/90/193912690.db2.gz KIRCSOIFZZVGLH-GOTSBHOMSA-N 0 0 534.952 6.077 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]21 ZINC000100391042 193913063 /nfs/dbraw/zinc/91/30/63/193913063.db2.gz ZRHIGDZIDKQKSO-MPKDPQEWSA-N 0 0 524.529 5.446 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 ZINC000224516723 193957622 /nfs/dbraw/zinc/95/76/22/193957622.db2.gz UGSGRXRNBRBPIP-DHIUTWEWSA-N 0 0 521.396 6.189 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050774 195500887 /nfs/dbraw/zinc/50/08/87/195500887.db2.gz ZOZPVDIGFYGUMQ-UOVKPGFYSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230498 195504166 /nfs/dbraw/zinc/50/41/66/195504166.db2.gz DWYDFFPJHLPNEW-LPYMAVHISA-N 0 0 507.930 5.319 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 ZINC000409231995 195508835 /nfs/dbraw/zinc/50/88/35/195508835.db2.gz GPUYKHPIXWZOMH-DNTJNYDQSA-N 0 0 548.360 5.845 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@H]23)C1O ZINC000001299419 551637811 /nfs/dbraw/zinc/63/78/11/551637811.db2.gz CASFWPMBCHBMJZ-DFXJHMEVSA-N 0 0 592.833 5.592 40 5 KKBBRN CC(C)N(C(C)C)[P@](=O)(O[P@@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000001555511 551684183 /nfs/dbraw/zinc/68/41/83/551684183.db2.gz QYSOTSPLJXOLFZ-JXLNJXQWSA-N 0 0 554.521 6.094 40 5 KKBBRN Brc1ccc(-c2oc3c(c2-c2ccc(Br)cc2)c2ccccc2c2ccccc32)cc1 ZINC000001715114 551690675 /nfs/dbraw/zinc/69/06/75/551690675.db2.gz YNZAZIXWRVYBNF-UHFFFAOYSA-N 0 0 528.243 9.598 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000002260016 552083681 /nfs/dbraw/zinc/08/36/81/552083681.db2.gz CMICDHUVEMGCEC-HPQIJTKRSA-N 0 0 537.572 5.046 40 5 KKBBRN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc3oc4ccccc4c3c2)cc([N+](=O)[O-])c1 ZINC000003139668 552294468 /nfs/dbraw/zinc/29/44/68/552294468.db2.gz WDUKGIUJIFUUEB-UHFFFAOYSA-N 0 0 521.873 5.992 40 5 KKBBRN O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 ZINC000004292494 552456701 /nfs/dbraw/zinc/45/67/01/552456701.db2.gz FZUKQUHIBFMFFQ-UHFFFAOYSA-N 0 0 524.558 5.533 40 5 KKBBRN O=C(CCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000005479452 552503024 /nfs/dbraw/zinc/50/30/24/552503024.db2.gz RRMOGJUANGHNMW-UHFFFAOYSA-N 0 0 502.530 5.033 40 5 KKBBRN Cc1cccc2c1nc1ccccc1c2SCCCCCCSc1c2ccccc2nc2c(C)cccc21 ZINC000005487910 552503047 /nfs/dbraw/zinc/50/30/47/552503047.db2.gz URHNYISJEADTQC-UHFFFAOYSA-N 0 0 532.778 10.151 40 5 KKBBRN CCOC(=O)c1c(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c2c1OCCCc1ccc(F)cc1 ZINC000005492859 552503251 /nfs/dbraw/zinc/50/32/51/552503251.db2.gz WDAZXNCCRYPGME-UHFFFAOYSA-N 0 0 554.633 8.471 40 5 KKBBRN COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4ccc(OC)nc43)c2n1 ZINC000005663617 552506267 /nfs/dbraw/zinc/50/62/67/552506267.db2.gz OGBXXNAUPQNXTC-UHFFFAOYSA-N 0 0 601.538 8.288 40 5 KKBBRN CCOc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000006089994 552533224 /nfs/dbraw/zinc/53/32/24/552533224.db2.gz SJDDRCLNDYUORN-UHFFFAOYSA-N 0 0 518.599 5.226 40 5 KKBBRN CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006090043 552533426 /nfs/dbraw/zinc/53/34/26/552533426.db2.gz CDZUZFUHFACZDX-SFHVURJKSA-N 0 0 518.599 5.306 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 ZINC000006194279 552565952 /nfs/dbraw/zinc/56/59/52/552565952.db2.gz DZPJCJMEXZTBCM-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000006245370 552573886 /nfs/dbraw/zinc/57/38/86/552573886.db2.gz MLVIRLATMJBSAI-IBGZPJMESA-N 0 0 502.600 5.524 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000006280740 552576672 /nfs/dbraw/zinc/57/66/72/552576672.db2.gz SUWNIYRDDNJCIT-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2cccc(Cl)c2)c1 ZINC000006442754 552584935 /nfs/dbraw/zinc/58/49/35/552584935.db2.gz JFMPMQUVMOEWSI-QGZVFWFLSA-N 0 0 508.003 6.232 40 5 KKBBRN O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006444648 552587077 /nfs/dbraw/zinc/58/70/77/552587077.db2.gz ZDXRNOXPNJLOBY-UHFFFAOYSA-N 0 0 532.504 5.189 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006474667 552592798 /nfs/dbraw/zinc/59/27/98/552592798.db2.gz JNLCKKNWDPSBTM-UHFFFAOYSA-N 0 0 544.818 5.989 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000006501243 552596399 /nfs/dbraw/zinc/59/63/99/552596399.db2.gz UHGQCXBJESHKCT-KNWZFJHESA-N 0 0 506.558 5.701 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000006632118 552972216 /nfs/dbraw/zinc/97/22/16/552972216.db2.gz BCZNXSTYRXQCQO-QYRZKEDASA-N 0 0 506.558 5.701 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000006632107 552972255 /nfs/dbraw/zinc/97/22/55/552972255.db2.gz BCZNXSTYRXQCQO-FCCHYQJHSA-N 0 0 506.558 5.701 40 5 KKBBRN C[C@@H]1[C@@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@@]12CC[C@@H](C)CO2 ZINC000008738830 553130971 /nfs/dbraw/zinc/13/09/71/553130971.db2.gz ULNDHEVVJSRKCY-ZGFMHCKQSA-N 0 0 509.643 6.317 40 5 KKBBRN CCc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 ZINC000008765791 553138469 /nfs/dbraw/zinc/13/84/69/553138469.db2.gz ZXDGNCIPOPYHDC-UHFFFAOYSA-N 0 0 506.536 5.450 40 5 KKBBRN COc1ccc2c3nccc4c5cc(OCc6c(Cl)cccc6Cl)ccc5n(c43)c(=O)c2c1OC ZINC000008792277 553147744 /nfs/dbraw/zinc/14/77/44/553147744.db2.gz QXRQNWKQFIMVRV-UHFFFAOYSA-N 0 0 505.357 6.495 40 5 biogenic KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833182 553159809 /nfs/dbraw/zinc/15/98/09/553159809.db2.gz FFIVDKAOEUCRHK-UHFFFAOYSA-N 0 0 505.531 5.269 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000008898972 553180422 /nfs/dbraw/zinc/18/04/22/553180422.db2.gz IVIBOFLXGWOHOZ-SOFGYWHQSA-N 0 0 504.782 7.484 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000008899263 553180663 /nfs/dbraw/zinc/18/06/63/553180663.db2.gz ADOVYYHBZRGGSD-UHFFFAOYSA-N 0 0 506.946 5.708 40 5 KKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008899384 553180881 /nfs/dbraw/zinc/18/08/81/553180881.db2.gz AGCRYOMEZLIZDV-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008900766 553181636 /nfs/dbraw/zinc/18/16/36/553181636.db2.gz DOTWQMQWXINWBB-UHFFFAOYSA-N 0 0 500.511 5.454 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000008927192 553191631 /nfs/dbraw/zinc/19/16/31/553191631.db2.gz VFILCUMPYXSAII-IUXNSEDMSA-N 0 0 550.721 8.218 40 5 KKBBRN CC(C)(C)C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009009575 553199249 /nfs/dbraw/zinc/19/92/49/553199249.db2.gz JWJMOAGUGRHVMR-YSRRZRNESA-N 0 0 521.573 5.183 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1Cl ZINC000009035564 553202079 /nfs/dbraw/zinc/20/20/79/553202079.db2.gz LGCCPZMQIBKTOC-JAIQZWGSSA-N 0 0 513.333 6.224 40 5 KKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)oc2c(Br)c1 ZINC000010119761 553329797 /nfs/dbraw/zinc/32/97/97/553329797.db2.gz IXBLVUFSXMVCKG-UHFFFAOYSA-N 0 0 500.736 6.634 40 5 KKBBRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000014274390 553507433 /nfs/dbraw/zinc/50/74/33/553507433.db2.gz ZOPHKELJKSVTBX-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274715 553507598 /nfs/dbraw/zinc/50/75/98/553507598.db2.gz CSZJMRFHHXRIIM-UHFFFAOYSA-N 0 0 503.609 5.599 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000014274767 553507761 /nfs/dbraw/zinc/50/77/61/553507761.db2.gz MYPWLAMQYLIVGV-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000014275324 553508310 /nfs/dbraw/zinc/50/83/10/553508310.db2.gz VURUKMCANNFBER-UHFFFAOYSA-N 0 0 503.392 6.305 40 5 KKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 ZINC000014275709 553508754 /nfs/dbraw/zinc/50/87/54/553508754.db2.gz MNSIGJPXIIBRQS-UHFFFAOYSA-N 0 0 512.547 6.407 40 5 KKBBRN CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000014277857 553510454 /nfs/dbraw/zinc/51/04/54/553510454.db2.gz HVXTWTNLPIXVEK-UHFFFAOYSA-N 0 0 504.974 7.032 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014278391 553510758 /nfs/dbraw/zinc/51/07/58/553510758.db2.gz ACDGQEDYUBVVJV-UHFFFAOYSA-N 0 0 508.332 5.413 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000014278538 553510955 /nfs/dbraw/zinc/51/09/55/553510955.db2.gz YDEQCHMPQAMHHS-UHFFFAOYSA-N 0 0 510.554 5.996 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000014279427 553511485 /nfs/dbraw/zinc/51/14/85/553511485.db2.gz PUWCKRYIRUDFSR-UHFFFAOYSA-N 0 0 510.550 5.378 40 5 KKBBRN COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1Br ZINC000016226537 553557168 /nfs/dbraw/zinc/55/71/68/553557168.db2.gz YCVSUTNTEWEBQP-WYMLVPIESA-N 0 0 518.371 6.814 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000016401667 553562813 /nfs/dbraw/zinc/56/28/13/553562813.db2.gz YSENSHJCQDXMGQ-RXJAJXMTSA-N 0 0 510.502 5.056 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610930 553569422 /nfs/dbraw/zinc/56/94/22/553569422.db2.gz MWYBFSRKWYVFCR-JIIJFUIFSA-N 0 0 500.580 6.443 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000068583018 553592005 /nfs/dbraw/zinc/59/20/05/553592005.db2.gz VGJLTZJDWUGPKF-LMHXZZLNSA-N 0 0 554.194 5.005 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020153232 553597719 /nfs/dbraw/zinc/59/77/19/553597719.db2.gz ZJWZDZATDPNVBA-UHFFFAOYSA-N 0 0 514.991 5.118 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020239125 553624667 /nfs/dbraw/zinc/62/46/67/553624667.db2.gz LMKBIFVGYWUMCA-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN CCCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000019856201 553626358 /nfs/dbraw/zinc/62/63/58/553626358.db2.gz DQMCGPSQAAHQEQ-UHFFFAOYSA-N 0 0 511.600 5.088 40 5 KKBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000070707885 553631789 /nfs/dbraw/zinc/63/17/89/553631789.db2.gz JIQDFAHZCBWSQP-IBGZPJMESA-N 0 0 535.600 5.125 40 5 biogenic KKBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6ccc(C(C)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708086 553632003 /nfs/dbraw/zinc/63/20/03/553632003.db2.gz VBXUDYCVQPWDMY-QGZVFWFLSA-N 0 0 535.556 5.218 40 5 biogenic KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000020452011 553651606 /nfs/dbraw/zinc/65/16/06/553651606.db2.gz NNPUKKKLYQSOKK-UHFFFAOYSA-N 0 0 517.563 5.008 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020060991 553673744 /nfs/dbraw/zinc/67/37/44/553673744.db2.gz WIPSVOXPRANPDV-UHFFFAOYSA-N 0 0 506.005 5.229 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020608683 553678162 /nfs/dbraw/zinc/67/81/62/553678162.db2.gz RXAAOLLUNSVZEK-UHFFFAOYSA-N 0 0 527.629 5.726 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C)C[C@@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000095101040 553700124 /nfs/dbraw/zinc/70/01/24/553700124.db2.gz AZSNWJZCHJVPIN-XDSPJLLDSA-N 0 0 704.700 5.882 40 5 KKBBRN COc1ccc2nc3cc(Cl)ccc3c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccc(Cl)cc4nc4ccc(OC)cc43)c2c1 ZINC000095550147 553703877 /nfs/dbraw/zinc/70/38/77/553703877.db2.gz PYKZBIUZNLXPPS-UHFFFAOYSA-N 0 0 815.804 11.542 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000021124472 553707507 /nfs/dbraw/zinc/70/75/07/553707507.db2.gz CGENZUUWOCDSCP-UHFFFAOYSA-N 0 0 510.978 5.455 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)CC1 ZINC000021576657 553712765 /nfs/dbraw/zinc/71/27/65/553712765.db2.gz IGTOAHFUBUELTD-UHFFFAOYSA-N 0 0 510.978 5.518 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 ZINC000021595510 553714591 /nfs/dbraw/zinc/71/45/91/553714591.db2.gz RMSCPNXWGYKAFR-UHFFFAOYSA-N 0 0 504.974 6.853 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000096022722 553722272 /nfs/dbraw/zinc/72/22/72/553722272.db2.gz ZOESZJOOIKSZAE-AMDUHLOVSA-N 0 0 680.397 7.393 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)cc1 ZINC000022825687 553752821 /nfs/dbraw/zinc/75/28/21/553752821.db2.gz GAWMZJXKCMMJCA-UHFFFAOYSA-N 0 0 502.571 5.234 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000022828152 553753794 /nfs/dbraw/zinc/75/37/94/553753794.db2.gz BHMGYPDPGJBFOU-INIZCTEOSA-N 0 0 504.568 5.809 40 5 KKBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000097954230 553822206 /nfs/dbraw/zinc/82/22/06/553822206.db2.gz WUEIGWUXFIVMAO-IARZGTGTSA-N 0 0 549.539 5.174 40 5 KKBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)c1 ZINC000097954462 553823413 /nfs/dbraw/zinc/82/34/13/553823413.db2.gz KEIOUNZRSOINTR-FCEKVYKBSA-N 0 0 549.539 5.174 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cccc1[N+](=O)[O-] ZINC000032115131 553864405 /nfs/dbraw/zinc/86/44/05/553864405.db2.gz YUYDLRGCGRPKQY-UHFFFAOYSA-N 0 0 502.886 5.770 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 ZINC000032124623 553865661 /nfs/dbraw/zinc/86/56/61/553865661.db2.gz AGLHMBYFZSCPIF-MOSHPQCFSA-N 0 0 518.016 5.448 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125027 553866116 /nfs/dbraw/zinc/86/61/16/553866116.db2.gz BEAMUNOJDJZPBA-UUYOSTAYSA-N 0 0 514.987 7.083 40 5 KKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033667679 553967017 /nfs/dbraw/zinc/96/70/17/553967017.db2.gz AOABAWUXJUFZQM-UHFFFAOYSA-N 0 0 510.915 5.480 40 5 KKBBRN CC(=O)c1sc(N2N=C3C(=Cc4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000033772265 553972910 /nfs/dbraw/zinc/97/29/10/553972910.db2.gz VQHGVWZSTQADDM-USHLRGNCSA-N 0 0 517.567 6.272 40 5 KKBBRN c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc54)c4ccccc43)cc2)cc1 ZINC000034633350 553981655 /nfs/dbraw/zinc/98/16/55/553981655.db2.gz KIQHGZHPNCGQJY-UHFFFAOYSA-N 0 0 658.844 14.634 40 5 KKBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000097979936 553983578 /nfs/dbraw/zinc/98/35/78/553983578.db2.gz LWMNBOFUVOGBED-FUDKHSSSSA-N 0 0 521.476 5.446 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@H]4[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000097983154 554007736 /nfs/dbraw/zinc/00/77/36/554007736.db2.gz ZGIZYGDUIOIIGA-MOAMZQRJSA-N 0 0 561.494 8.826 40 5 KKBBRN O=C(COC(=O)c1cc2oc3ccccc3c3ccccc3oc2cc1C(=O)OCC(=O)c1ccccc1)c1ccccc1 ZINC000098046256 554137295 /nfs/dbraw/zinc/13/72/95/554137295.db2.gz ARTOHHUWDYTIRR-UHFFFAOYSA-N 0 0 584.580 7.536 40 5 KKBBRN CC(=C\c1ccc(/C=C(C)/C=C2/N=C(c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1)/C=C1/N=C(c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000100024006 554183119 /nfs/dbraw/zinc/18/31/19/554183119.db2.gz XGYADJVWFSGBBQ-WJADCOPLSA-N 0 0 590.548 6.085 40 5 KKBBRN COc1cc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100142269 554228188 /nfs/dbraw/zinc/22/81/88/554228188.db2.gz PKSJMLYDGDJKBG-UHFFFAOYSA-N 0 0 585.457 6.522 40 5 KKBBRN O=[N+]([O-])c1ccc(C(OC(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100171817 554238274 /nfs/dbraw/zinc/23/82/74/554238274.db2.gz CFNBBYGSZCDSGF-UHFFFAOYSA-N 0 0 530.449 6.215 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039758047 554280414 /nfs/dbraw/zinc/28/04/14/554280414.db2.gz XHMORRABFXWKFK-AWNIVKPZSA-N 0 0 505.943 5.671 40 5 KKBBRN O=C(Cc1cccc2ccccc21)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039767762 554280594 /nfs/dbraw/zinc/28/05/94/554280594.db2.gz DRWSZOIJKVAHNP-UHFFFAOYSA-N 0 0 509.547 5.700 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000100301252 554291528 /nfs/dbraw/zinc/29/15/28/554291528.db2.gz IBLIGCQLZXBMKJ-UHFFFAOYSA-N 0 0 518.885 5.227 40 5 KKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCSc1ccc([N+](=O)[O-])cc1 ZINC000041076815 554292230 /nfs/dbraw/zinc/29/22/30/554292230.db2.gz ISEBUTSHXUWBMO-UHFFFAOYSA-N 0 0 509.609 5.618 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802985 554303550 /nfs/dbraw/zinc/30/35/50/554303550.db2.gz XWXDXKFBECWAIF-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000100327062 554310675 /nfs/dbraw/zinc/31/06/75/554310675.db2.gz YCTRHVJPHWMUIC-UHFFFAOYSA-N 0 0 533.570 5.015 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100339880 554324573 /nfs/dbraw/zinc/32/45/73/554324573.db2.gz ZDCRNYRHXLDKKR-WSDLNYQXSA-N 0 0 543.370 6.312 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100340148 554324849 /nfs/dbraw/zinc/32/48/49/554324849.db2.gz PEEYOFSLWHIBNJ-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100340866 554325132 /nfs/dbraw/zinc/32/51/32/554325132.db2.gz YMFSTGBVNYWRDD-WSDLNYQXSA-N 0 0 543.370 6.312 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100342888 554328277 /nfs/dbraw/zinc/32/82/77/554328277.db2.gz BQLJMEACCPREFN-WSDLNYQXSA-N 0 0 589.851 6.835 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4 ZINC000100344647 554329666 /nfs/dbraw/zinc/32/96/66/554329666.db2.gz ZVVNQEYLUMQHCE-CYBMUJFWSA-N 0 0 526.644 5.138 40 5 KKBBRN O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100349730 554330852 /nfs/dbraw/zinc/33/08/52/554330852.db2.gz WAHNDLBRLLOEJI-UHFFFAOYSA-N 0 0 609.956 7.048 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1[N+](=O)[O-] ZINC000100351261 554331045 /nfs/dbraw/zinc/33/10/45/554331045.db2.gz DHYMXRZVUVWDFC-WSDLNYQXSA-N 0 0 528.539 5.047 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000100359366 554340341 /nfs/dbraw/zinc/34/03/41/554340341.db2.gz UFKGMYQGNGEPHM-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc(Cl)cc2)c2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000100362632 554346553 /nfs/dbraw/zinc/34/65/53/554346553.db2.gz YTOYYUIZPRVFFD-VWLOTQADSA-N 0 0 530.411 7.034 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367125 554353262 /nfs/dbraw/zinc/35/32/62/554353262.db2.gz VPTHNRXLKDMAMV-UUYOSTAYSA-N 0 0 540.022 6.383 40 5 KKBBRN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1 ZINC000057313136 554353977 /nfs/dbraw/zinc/35/39/77/554353977.db2.gz CBVZCHFZGIVMLS-UHFFFAOYSA-N 0 0 505.983 7.821 40 5 KKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000057313334 554354010 /nfs/dbraw/zinc/35/40/10/554354010.db2.gz VJLLJZBEPVGVIE-UHFFFAOYSA-N 0 0 502.596 6.369 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000057314094 554354337 /nfs/dbraw/zinc/35/43/37/554354337.db2.gz RGUDOUCYEZUTTC-JQIJEIRASA-N 0 0 526.568 5.968 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368641 554354923 /nfs/dbraw/zinc/35/49/23/554354923.db2.gz SOLNIEIQBUZVAL-XKZIYDEJSA-N 0 0 541.448 7.053 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]12 ZINC000100391048 554366760 /nfs/dbraw/zinc/36/67/60/554366760.db2.gz ZRHIGDZIDKQKSO-ZGWQZBKRSA-N 0 0 524.529 5.446 40 5 KKBBRN CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 ZINC000100391055 554367024 /nfs/dbraw/zinc/36/70/24/554367024.db2.gz IBBQLBXXABFNKA-FIRPXTFZSA-N 0 0 558.974 6.099 40 5 KKBBRN O=c1/c(=C/c2c3ccccc3cc3ccccc32)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000058865368 554370544 /nfs/dbraw/zinc/37/05/44/554370544.db2.gz DBIUZRFKNPZGIQ-YWEMJKAQSA-N 0 0 520.657 6.625 40 5 KKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1Cl ZINC000059294129 554387560 /nfs/dbraw/zinc/38/75/60/554387560.db2.gz GFCPIBAYFNBTBY-UHFFFAOYSA-N 0 0 517.007 5.080 40 5 KKBBRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331503 554388792 /nfs/dbraw/zinc/38/87/92/554388792.db2.gz OPWQPYNIVKIXHZ-UHFFFAOYSA-N 0 0 517.636 5.907 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000059331507 554388864 /nfs/dbraw/zinc/38/88/64/554388864.db2.gz GQBZLAUZEYZGNT-UHFFFAOYSA-N 0 0 517.636 5.907 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O ZINC000059331539 554389236 /nfs/dbraw/zinc/38/92/36/554389236.db2.gz QPSDXEAPMKERQL-UHFFFAOYSA-N 0 0 517.567 5.144 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000059331582 554389779 /nfs/dbraw/zinc/38/97/79/554389779.db2.gz LAAWVANJDIIATJ-UHFFFAOYSA-N 0 0 520.567 5.670 40 5 KKBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059331947 554392313 /nfs/dbraw/zinc/39/23/13/554392313.db2.gz HFGUANJTYADNTL-UHFFFAOYSA-N 0 0 516.985 6.083 40 5 KKBBRN CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC000059365284 554393148 /nfs/dbraw/zinc/39/31/48/554393148.db2.gz SSPQQHSNNOMMED-UHFFFAOYSA-N 0 0 710.978 6.024 40 5 KKBBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3s2)cc1 ZINC000059459211 554396353 /nfs/dbraw/zinc/39/63/53/554396353.db2.gz FONIHYXPLKAOJY-UHFFFAOYSA-N 0 0 506.609 6.311 40 5 KKBBRN O=C1NC(=O)C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1 ZINC000100474599 554400343 /nfs/dbraw/zinc/40/03/43/554400343.db2.gz DPFIYZMTIAHTHC-WLRTZDKTSA-N 0 0 568.121 6.255 40 5 KKBBRN Cc1nc(-c2cc3cc(Br)ccc3oc2=O)cc2c3cc(Br)ccc3oc(=O)c12 ZINC000100571091 554422118 /nfs/dbraw/zinc/42/21/18/554422118.db2.gz UADBOTBQBNHOLG-UHFFFAOYSA-N 0 0 513.141 5.948 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc21 ZINC000100586796 554426767 /nfs/dbraw/zinc/42/67/67/554426767.db2.gz DXMMQGOZBWDSCP-UHFFFAOYSA-N 0 0 527.375 6.146 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000059882127 554457891 /nfs/dbraw/zinc/45/78/91/554457891.db2.gz RMPLHEYVBCOZRY-UHFFFAOYSA-N 0 0 526.423 5.574 40 5 KKBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 ZINC000059883297 554460148 /nfs/dbraw/zinc/46/01/48/554460148.db2.gz ZNOKJKHZYBJHJR-ZXVVBBHZSA-N 0 0 527.602 6.192 40 5 KKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000059887546 554469023 /nfs/dbraw/zinc/46/90/23/554469023.db2.gz DJBFHGIOTQGYHJ-UHFFFAOYSA-N 0 0 547.658 6.030 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100816050 554476492 /nfs/dbraw/zinc/47/64/92/554476492.db2.gz NDDWDIUNRULTLD-VSKRKVRLSA-N 0 0 555.996 5.154 40 5 KKBBRN CO[C@@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000064857641 554517956 /nfs/dbraw/zinc/51/79/56/554517956.db2.gz BMGQWWVMWDBQGC-OBINLDHWSA-N 0 0 570.649 5.907 40 5 in-vitro KKBBRN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[n-]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100922641 554522560 /nfs/dbraw/zinc/52/25/60/554522560.db2.gz IHHQXWNDVVPVIP-CLJLJLNGSA-N 0 0 509.566 5.373 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O)N(c1ccccc1)c1ccccc1 ZINC000100931259 554527574 /nfs/dbraw/zinc/52/75/74/554527574.db2.gz ZZEOHAJZPLRJHC-UHFFFAOYSA-N 0 0 510.418 5.601 40 5 KKBBRN O=[N+]([O-])c1ccc(/C(Cl)=C/c2ccc(/C=C(\Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000068563501 554538992 /nfs/dbraw/zinc/53/89/92/554538992.db2.gz QMZVNISRQXPNKX-QJUDHZBZSA-N 0 0 531.264 6.793 40 5 KKBBRN Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] ZINC000100958449 554541670 /nfs/dbraw/zinc/54/16/70/554541670.db2.gz DIVQYLRIROALKE-LCQSEVKBSA-N 0 0 551.649 5.857 40 5 KKBBRN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC ZINC000101103213 554639215 /nfs/dbraw/zinc/63/92/15/554639215.db2.gz LJNAHZURNZJVMY-XDIAGNKYSA-N 0 0 548.684 5.591 40 5 KKBBRN Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)c4cccc5c(Br)c([N+](=O)[O-])cc(c54)C3=O)cc2)c1 ZINC000101148665 554656611 /nfs/dbraw/zinc/65/66/11/554656611.db2.gz YNAJEHXKWLPQRU-UHFFFAOYSA-N 0 0 566.389 5.420 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000101538002 554795728 /nfs/dbraw/zinc/79/57/28/554795728.db2.gz MPLQMJMHIQJOBQ-OYKKKHCWSA-N 0 0 551.552 5.387 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000102191036 554894117 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O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102710028 555016119 /nfs/dbraw/zinc/01/61/19/555016119.db2.gz ACWZLUCEXNVHEH-GVAUOCQISA-N 0 0 531.977 6.028 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000102859622 555090003 /nfs/dbraw/zinc/09/00/03/555090003.db2.gz MTYNENLYGAFTQZ-OLUZHXLYSA-N 0 0 623.618 5.663 40 5 KKBBRN CCCCC[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000102983937 555189960 /nfs/dbraw/zinc/18/99/60/555189960.db2.gz QUHKMDJLJIBVDI-RABOXXBHSA-N 0 0 574.715 5.237 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103527142 555429092 /nfs/dbraw/zinc/42/90/92/555429092.db2.gz AFMJNMFGJOBXNT-GCZHVTBPSA-N 0 0 571.589 5.585 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 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566.043 5.026 40 5 KKBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)oc2c(C)c1 ZINC000105310494 571396086 /nfs/dbraw/zinc/39/60/86/571396086.db2.gz QCKLKOMRLWUCRL-UHFFFAOYSA-N 0 0 528.546 6.112 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222778142 571396410 /nfs/dbraw/zinc/39/64/10/571396410.db2.gz DJJCMNJZJCQHPP-RUZDIDTESA-N 0 0 700.041 6.399 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000105311826 571396950 /nfs/dbraw/zinc/39/69/50/571396950.db2.gz TYGXBKVVONGKPS-UHFFFAOYSA-N 0 0 606.321 6.832 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000105312309 571397281 /nfs/dbraw/zinc/39/72/81/571397281.db2.gz UPMOBCVKPDWLAP-UHFFFAOYSA-N 0 0 550.040 6.482 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000105313101 571397658 /nfs/dbraw/zinc/39/76/58/571397658.db2.gz DLOYKNYOLRUTIN-RMKNXTFCSA-N 0 0 545.429 6.812 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000105313368 571397769 /nfs/dbraw/zinc/39/77/69/571397769.db2.gz BGCKCVPNUBEGHB-UHFFFAOYSA-N 0 0 538.585 6.596 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222794042 571398460 /nfs/dbraw/zinc/39/84/60/571398460.db2.gz WEMQICLFLQDOJV-HHHXNRCGSA-N 0 0 598.563 6.003 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105314481 571398552 /nfs/dbraw/zinc/39/85/52/571398552.db2.gz QEWTUNLVVBQNKH-UHFFFAOYSA-N 0 0 578.098 6.052 40 5 KKBBRN COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cccs1 ZINC000105314881 571398689 /nfs/dbraw/zinc/39/86/89/571398689.db2.gz MQJSBOBOBXWLIG-UHFFFAOYSA-N 0 0 522.564 5.304 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222799339 571399216 /nfs/dbraw/zinc/39/92/16/571399216.db2.gz PCFJSJUNBNZSLY-JGCGQSQUSA-N 0 0 707.647 5.965 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105317283 571400080 /nfs/dbraw/zinc/40/00/80/571400080.db2.gz QNCWUFSKENLHHK-UHFFFAOYSA-N 0 0 590.061 5.597 40 5 KKBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)CC2)cc1 ZINC000105317382 571400238 /nfs/dbraw/zinc/40/02/38/571400238.db2.gz UVPALWQGNSVQMN-UHFFFAOYSA-N 0 0 569.643 5.252 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] ZINC000105318569 571400929 /nfs/dbraw/zinc/40/09/29/571400929.db2.gz ADBGOVZNPDGOLI-UHFFFAOYSA-N 0 0 595.550 5.142 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] ZINC000105318592 571400945 /nfs/dbraw/zinc/40/09/45/571400945.db2.gz KERMNKLKWPRFES-UHFFFAOYSA-N 0 0 565.524 5.052 40 5 KKBBRN COc1c(Br)c2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000105318987 571401248 /nfs/dbraw/zinc/40/12/48/571401248.db2.gz GIRGPPJGLMBTSM-UHFFFAOYSA-N 0 0 553.457 5.472 40 5 KKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000105319251 571401418 /nfs/dbraw/zinc/40/14/18/571401418.db2.gz WBSOTQCYRQNHQM-UHFFFAOYSA-N 0 0 563.227 6.414 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105320214 571402009 /nfs/dbraw/zinc/40/20/09/571402009.db2.gz YKTNSZOYMMPMHN-UHFFFAOYSA-N 0 0 528.952 6.299 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222826993 571402758 /nfs/dbraw/zinc/40/27/58/571402758.db2.gz VRGZAXKYHLYQRN-AREMUKBSSA-N 0 0 661.177 5.101 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105354674 571404112 /nfs/dbraw/zinc/40/41/12/571404112.db2.gz ZXPPUOZLIZDWLO-SDNWHVSQSA-N 0 0 577.468 7.136 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000105355411 571404200 /nfs/dbraw/zinc/40/42/00/571404200.db2.gz CCEHLEOMFCBOJQ-PKNBQFBNSA-N 0 0 520.328 7.622 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1[N+](=O)[O-] ZINC000105355460 571404205 /nfs/dbraw/zinc/40/42/05/571404205.db2.gz ADJGKNLDINATAW-UHFFFAOYSA-N 0 0 535.047 5.517 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000105355311 571404209 /nfs/dbraw/zinc/40/42/09/571404209.db2.gz QDAFKHQFNYOKNW-JQIJEIRASA-N 0 0 540.551 5.608 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000105394568 571404640 /nfs/dbraw/zinc/40/46/40/571404640.db2.gz NLPMJYGSEQESLO-JLHYYAGUSA-N 0 0 537.016 5.855 40 5 KKBBRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000105458004 571404931 /nfs/dbraw/zinc/40/49/31/571404931.db2.gz OSMQZTRJRIAOOD-XBXARRHUSA-N 0 0 565.866 6.052 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222847591 571405209 /nfs/dbraw/zinc/40/52/09/571405209.db2.gz DMFBEJJRIJSEFI-UMSFTDKQSA-N 0 0 751.700 6.282 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499190 571406039 /nfs/dbraw/zinc/40/60/39/571406039.db2.gz LTLPDLZLHLWHGI-YNMQQHPQSA-N 0 0 601.706 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000105511642 571406844 /nfs/dbraw/zinc/40/68/44/571406844.db2.gz QLYUSZTVWYRJCP-MFUBYVTQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000105511721 571406855 /nfs/dbraw/zinc/40/68/55/571406855.db2.gz CCPBYDKZSHXJJV-ZSJKCPIUSA-N 0 0 621.027 5.060 40 5 KKBBRN O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 ZINC000105598419 571407750 /nfs/dbraw/zinc/40/77/50/571407750.db2.gz BICZCMDTWUFBLU-FUWOTOHESA-N 0 0 574.489 6.698 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106684851 571413692 /nfs/dbraw/zinc/41/36/92/571413692.db2.gz MHPJHIHUXKDMTC-BKUYFWCQSA-N 0 0 560.993 5.261 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686291 571413717 /nfs/dbraw/zinc/41/37/17/571413717.db2.gz JJRATIXCFRHEKS-UUYOSTAYSA-N 0 0 559.825 6.826 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000106686942 571413719 /nfs/dbraw/zinc/41/37/19/571413719.db2.gz NYAVJPIQYHQUJJ-QRVIBDJDSA-N 0 0 603.878 7.225 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000106698398 571414285 /nfs/dbraw/zinc/41/42/85/571414285.db2.gz UOYMMMMWOFPUDD-UUYOSTAYSA-N 0 0 543.370 6.312 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222931020 571414357 /nfs/dbraw/zinc/41/43/57/571414357.db2.gz FHLIJNULWIBFIQ-XIFFEERXSA-N 0 0 776.139 7.480 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106699653 571414398 /nfs/dbraw/zinc/41/43/98/571414398.db2.gz UMMGCODCVPFJEC-MYKKPKGFSA-N 0 0 538.412 7.141 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106716316 571415466 /nfs/dbraw/zinc/41/54/66/571415466.db2.gz YMLMQXDLQBNLGA-MTJSOVHGSA-N 0 0 595.438 5.914 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222944940 571415846 /nfs/dbraw/zinc/41/58/46/571415846.db2.gz HPXUWDHUMNTTIJ-SANMLTNESA-N 0 0 588.488 5.701 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106723612 571415989 /nfs/dbraw/zinc/41/59/89/571415989.db2.gz ZMYFBEZTOYSRFF-GRSHGNNSSA-N 0 0 564.211 6.616 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000106729384 571416503 /nfs/dbraw/zinc/41/65/03/571416503.db2.gz RDBOFVVWDQCKOC-QRVIBDJDSA-N 0 0 616.433 6.332 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1Br ZINC000106730969 571416574 /nfs/dbraw/zinc/41/65/74/571416574.db2.gz XNCXVGKMSKDMDQ-ODLFYWEKSA-N 0 0 512.341 5.781 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106732827 571416685 /nfs/dbraw/zinc/41/66/85/571416685.db2.gz APIWODAUVIFLBI-NDENLUEZSA-N 0 0 542.367 5.790 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106736786 571416870 /nfs/dbraw/zinc/41/68/70/571416870.db2.gz BIRGUPGZNYMKIK-AQHIEDMUSA-N 0 0 603.834 6.555 40 5 KKBBRN COc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000106739387 571417052 /nfs/dbraw/zinc/41/70/52/571417052.db2.gz WIMOFHKGLKWGDG-NVNXTCNLSA-N 0 0 528.178 5.365 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000106739156 571417093 /nfs/dbraw/zinc/41/70/93/571417093.db2.gz OVYACWLQNKGMOZ-YSMPRRRNSA-N 0 0 561.616 5.981 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106739788 571417117 /nfs/dbraw/zinc/41/71/17/571417117.db2.gz GOEFALAJUDIRTR-NHDPSOOVSA-N 0 0 529.933 6.210 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccccc1 ZINC000106739632 571417202 /nfs/dbraw/zinc/41/72/02/571417202.db2.gz ILQSMGHDSROAPG-UQQQWYQISA-N 0 0 520.563 5.688 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000106740884 571417234 /nfs/dbraw/zinc/41/72/34/571417234.db2.gz IWDQHKWDEOJZRE-YSMPRRRNSA-N 0 0 605.466 7.335 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000106741052 571417253 /nfs/dbraw/zinc/41/72/53/571417253.db2.gz AHENELDRJHFLGV-ODLFYWEKSA-N 0 0 575.418 5.883 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000106743331 571417356 /nfs/dbraw/zinc/41/73/56/571417356.db2.gz AKFIJKNUSUMVFQ-QRQIAZFYSA-N 0 0 540.597 6.962 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000106745565 571417447 /nfs/dbraw/zinc/41/74/47/571417447.db2.gz NFTFAYMXMASJFG-QQXSKIMKSA-N 0 0 540.553 6.212 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745686 571417498 /nfs/dbraw/zinc/41/74/98/571417498.db2.gz DHMCXCXCLINBBN-JJFYIABZSA-N 0 0 515.374 6.717 40 5 KKBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222987349 571419536 /nfs/dbraw/zinc/41/95/36/571419536.db2.gz SHBAOMJBSLJBAF-OAHLLOKOSA-N 0 0 512.459 5.467 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222992385 571419995 /nfs/dbraw/zinc/41/99/95/571419995.db2.gz UZJJLSPNGVIAFO-IBGZPJMESA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223005100 571420908 /nfs/dbraw/zinc/42/09/08/571420908.db2.gz APJJXJFKXOCHOO-DHUJRADRSA-N 0 0 702.830 5.528 40 5 KKBBRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl ZINC000107943656 571421850 /nfs/dbraw/zinc/42/18/50/571421850.db2.gz GKZXFSXTGJXYKM-UHFFFAOYSA-N 0 0 532.969 5.677 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1Cl ZINC000108176930 571422614 /nfs/dbraw/zinc/42/26/14/571422614.db2.gz ONULLUDBWNEYGS-UHFFFAOYSA-N 0 0 519.410 5.307 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223042286 571425057 /nfs/dbraw/zinc/42/50/57/571425057.db2.gz ZZCCCBDSGANMON-NRFANRHFSA-N 0 0 661.177 5.101 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1Cl ZINC000109318765 571428984 /nfs/dbraw/zinc/42/89/84/571428984.db2.gz NUTJPQRPFAPXNM-UHFFFAOYSA-N 0 0 568.099 5.644 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000109867496 571430210 /nfs/dbraw/zinc/43/02/10/571430210.db2.gz DYNVGYMCQYQRFB-UHFFFAOYSA-N 0 0 535.006 6.912 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000110244791 571430843 /nfs/dbraw/zinc/43/08/43/571430843.db2.gz NBGBKZMKOHAAFJ-VPHSIRQSSA-N 0 0 617.680 5.071 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000110366935 571431260 /nfs/dbraw/zinc/43/12/60/571431260.db2.gz LZKXXKDCDYWGHS-UHFFFAOYSA-N 0 0 573.380 6.017 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465619 571432511 /nfs/dbraw/zinc/43/25/11/571432511.db2.gz JURPVCHJHPIYMB-AHQATDLNSA-N 0 0 577.618 5.104 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)c1 ZINC000111468265 571432683 /nfs/dbraw/zinc/43/26/83/571432683.db2.gz FQPDBJAPBNRVAS-HDFSHUSISA-N 0 0 592.633 5.051 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)c1 ZINC000111468532 571432780 /nfs/dbraw/zinc/43/27/80/571432780.db2.gz RCFMJBGLZJRDJS-JLKMOJGBSA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000111469634 571432797 /nfs/dbraw/zinc/43/27/97/571432797.db2.gz GPICSLXGOOLDCY-OINPTKSXSA-N 0 0 609.635 5.551 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223120984 571433673 /nfs/dbraw/zinc/43/36/73/571433673.db2.gz VCPRMHPEOLJIFQ-HSZRJFAPSA-N 0 0 645.178 5.403 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112242528 571435270 /nfs/dbraw/zinc/43/52/70/571435270.db2.gz MLOIGTKFCVKNMN-UHFFFAOYSA-N 0 0 588.498 6.142 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112242796 571435385 /nfs/dbraw/zinc/43/53/85/571435385.db2.gz KXGKROGNNDWJAT-UHFFFAOYSA-N 0 0 555.975 5.159 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112244259 571435617 /nfs/dbraw/zinc/43/56/17/571435617.db2.gz FYMQZZUPKHMWEM-UHFFFAOYSA-N 0 0 574.446 5.117 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000112246865 571436154 /nfs/dbraw/zinc/43/61/54/571436154.db2.gz NOTASFJCWUHYAV-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000112252321 571436432 /nfs/dbraw/zinc/43/64/32/571436432.db2.gz GNMWADWTGFLROQ-VULFUBBASA-N 0 0 557.540 6.694 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223165541 571439474 /nfs/dbraw/zinc/43/94/74/571439474.db2.gz SWPROZXIHJPRBF-JOCHJYFZSA-N 0 0 631.151 5.094 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912955 571443526 /nfs/dbraw/zinc/44/35/26/571443526.db2.gz HWYJEBSPZZWBMD-GEDDHWEJSA-O 0 0 583.900 5.283 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917001 571444086 /nfs/dbraw/zinc/44/40/86/571444086.db2.gz HWPKACQLFFCDBD-TVUUPDABSA-N 0 0 616.930 11.959 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223212217 571445830 /nfs/dbraw/zinc/44/58/30/571445830.db2.gz WFIJXUSPPBJZAO-JOCHJYFZSA-N 0 0 631.151 5.094 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223228397 571447745 /nfs/dbraw/zinc/44/77/45/571447745.db2.gz 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CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000150490621 571517254 /nfs/dbraw/zinc/51/72/54/571517254.db2.gz AEXRENDNHQHIEO-QFEZKATASA-N 0 0 626.112 6.950 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224303143 571517599 /nfs/dbraw/zinc/51/75/99/571517599.db2.gz YAGSZKMYLLCYBQ-XIFFEERXSA-N 0 0 707.249 6.315 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)o1 ZINC000224319109 571521058 /nfs/dbraw/zinc/52/10/58/571521058.db2.gz IDHJWRYWJNVIBY-UIOOFZCWSA-N 0 0 500.580 6.052 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223656338 571521529 /nfs/dbraw/zinc/52/15/29/571521529.db2.gz WBZYZIQMWSVMLY-KDYSTLNUSA-N 0 0 537.657 5.522 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223658271 571521876 /nfs/dbraw/zinc/52/18/76/571521876.db2.gz VDYNNZKVIIFVIS-JGCGQSQUSA-N 0 0 713.640 6.190 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223663401 571522845 /nfs/dbraw/zinc/52/28/45/571522845.db2.gz WMODAVUHSFJBDY-HKBQPEDESA-N 0 0 748.085 6.844 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224336600 571524918 /nfs/dbraw/zinc/52/49/18/571524918.db2.gz BJKQWOZACSMPIB-XIFFEERXSA-N 0 0 707.249 6.315 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223678605 571525397 /nfs/dbraw/zinc/52/53/97/571525397.db2.gz WIXYXOALARNUQW-DEOSSOPVSA-N 0 0 560.434 5.065 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223678551 571525430 /nfs/dbraw/zinc/52/54/30/571525430.db2.gz WIXYXOALARNUQW-XMMPIXPASA-N 0 0 560.434 5.065 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223679636 571525485 /nfs/dbraw/zinc/52/54/85/571525485.db2.gz HRYKXPJOMZFGLX-INJOXJOKSA-N 0 0 725.239 6.454 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223680217 571525654 /nfs/dbraw/zinc/52/56/54/571525654.db2.gz MKFMMSNCEHUZFF-MHZLTWQESA-N 0 0 659.205 5.793 40 5 KKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000224351489 571528277 /nfs/dbraw/zinc/52/82/77/571528277.db2.gz AWHLQNRDGNORLO-IZZNHLLZSA-N 0 0 500.580 5.998 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000163208111 571533062 /nfs/dbraw/zinc/53/30/62/571533062.db2.gz UJJFKROWDQNXIH-VSQRRKBNSA-N 0 0 665.749 5.312 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] ZINC000163212302 571533160 /nfs/dbraw/zinc/53/31/60/571533160.db2.gz VJVJSIQVQHXDHY-ITNPZBTBSA-N 0 0 624.516 6.558 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163225948 571533499 /nfs/dbraw/zinc/53/34/99/571533499.db2.gz STPLZDQOHWIYHP-JAYSWQADSA-N 0 0 638.496 5.046 40 5 KKBBRN O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163233169 571533822 /nfs/dbraw/zinc/53/38/22/571533822.db2.gz IQEIFXOXAQOGHS-GUHKKKFHSA-N 0 0 761.701 9.114 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163255127 571534166 /nfs/dbraw/zinc/53/41/66/571534166.db2.gz GQEDJLCLWZTQIK-FFWTUWPMSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163256708 571534386 /nfs/dbraw/zinc/53/43/86/571534386.db2.gz VVQQBJNXJYGSET-AMQCUNCASA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163276704 571534735 /nfs/dbraw/zinc/53/47/35/571534735.db2.gz XNCUQPMSTBCVLW-XZYZCHRKSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163279298 571534800 /nfs/dbraw/zinc/53/48/00/571534800.db2.gz NWSILEQGKQBGAV-ODSXNOBESA-N 0 0 661.736 5.832 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163289746 571534953 /nfs/dbraw/zinc/53/49/53/571534953.db2.gz DQBLWTDGMJCTSB-XZYZCHRKSA-N 0 0 789.502 7.348 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224384521 571535183 /nfs/dbraw/zinc/53/51/83/571535183.db2.gz ILTSIRUDCGJZIJ-VWLOTQADSA-N 0 0 554.043 5.190 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000163460533 571535910 /nfs/dbraw/zinc/53/59/10/571535910.db2.gz URMWENVTZSDBTN-MQEBXPQWSA-N 0 0 736.894 8.735 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163615143 571537924 /nfs/dbraw/zinc/53/79/24/571537924.db2.gz JAJBCUVPVAZMDS-IZBTWGKQSA-N 0 0 804.368 6.739 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163623476 571538069 /nfs/dbraw/zinc/53/80/69/571538069.db2.gz FMIRPFPGHMLPRB-ZMUHTPIZSA-N 0 0 674.879 5.452 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163635360 571538437 /nfs/dbraw/zinc/53/84/37/571538437.db2.gz HDKBWCDNSPUHGC-LMSRTUJASA-N 0 0 766.976 6.643 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000163658951 571539498 /nfs/dbraw/zinc/53/94/98/571539498.db2.gz UJTIYSAYEYSHIV-CPOYULECSA-N 0 0 726.811 6.848 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000163671963 571539901 /nfs/dbraw/zinc/53/99/01/571539901.db2.gz IQFDMVVFDYEKNO-KOHOJCOXSA-N 0 0 745.570 6.558 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163685092 571540257 /nfs/dbraw/zinc/54/02/57/571540257.db2.gz WOSPHTJXBWHUHM-GNZKFENCSA-N 0 0 701.204 7.485 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224413497 571540926 /nfs/dbraw/zinc/54/09/26/571540926.db2.gz AVHZJOGZKAMPAK-SANMLTNESA-N 0 0 651.569 5.357 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224416907 571541764 /nfs/dbraw/zinc/54/17/64/571541764.db2.gz RKAIONUBDRPKSI-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163732834 571542226 /nfs/dbraw/zinc/54/22/26/571542226.db2.gz KPRZCYSBNZYBMA-AJAYTNACSA-N 0 0 775.590 6.340 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223776250 571542273 /nfs/dbraw/zinc/54/22/73/571542273.db2.gz ZSHZVZGYRJSWPD-NLGDKJDOSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163740927 571542362 /nfs/dbraw/zinc/54/23/62/571542362.db2.gz WXEMZTLHEMLRGS-FPWMYLJGSA-N 0 0 665.724 5.456 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163740622 571542366 /nfs/dbraw/zinc/54/23/66/571542366.db2.gz DEOWMDYJTYFCTI-ZSJKCPIUSA-N 0 0 717.103 5.094 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc21 ZINC000163762346 571543011 /nfs/dbraw/zinc/54/30/11/571543011.db2.gz WNVIYFZUTLUVMT-ZJKBLPEWSA-N 0 0 651.744 6.968 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163775179 571543035 /nfs/dbraw/zinc/54/30/35/571543035.db2.gz UXOIIXUHLIHCFO-BHFPBWTASA-N 0 0 645.480 6.702 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1F ZINC000163771369 571543169 /nfs/dbraw/zinc/54/31/69/571543169.db2.gz ZUCIQLUGMPKICD-DBHVVYFFSA-N 0 0 698.570 6.716 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163780736 571543290 /nfs/dbraw/zinc/54/32/90/571543290.db2.gz BUTKGICFVXGRIY-HAWPWTPLSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000163777350 571543305 /nfs/dbraw/zinc/54/33/05/571543305.db2.gz RBAUOUUOIVFCFE-ITNPZBTBSA-N 0 0 733.609 6.481 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224426343 571543495 /nfs/dbraw/zinc/54/34/95/571543495.db2.gz AOHJRHXVPNZSPZ-SANMLTNESA-N 0 0 537.657 5.522 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224426287 571543511 /nfs/dbraw/zinc/54/35/11/571543511.db2.gz AOHJRHXVPNZSPZ-AREMUKBSSA-N 0 0 537.657 5.522 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223791200 571544730 /nfs/dbraw/zinc/54/47/30/571544730.db2.gz YSOAHIYFRFLSPF-OGVWKLGRSA-N 0 0 786.145 7.078 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223803435 571547362 /nfs/dbraw/zinc/54/73/62/571547362.db2.gz VNYCOJXXTIDEKW-IBVKSMDESA-N 0 0 598.494 5.300 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000164512669 571549083 /nfs/dbraw/zinc/54/90/83/571549083.db2.gz NHLWAVNHFZCSEX-POKSHJSXSA-N 0 0 648.653 5.544 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164539043 571549686 /nfs/dbraw/zinc/54/96/86/571549686.db2.gz HPFKXNQVQGFTMU-DTDQMKFYSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164545696 571549806 /nfs/dbraw/zinc/54/98/06/571549806.db2.gz HBJWAORCUKBARL-CTIXHBHKSA-N 0 0 758.856 7.977 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223808657 571550459 /nfs/dbraw/zinc/55/04/59/571550459.db2.gz VROOWDATFPFDRH-UVMFRMCBSA-N 0 0 751.700 6.424 40 5 KKBBRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000167678841 571552966 /nfs/dbraw/zinc/55/29/66/571552966.db2.gz ZCSWLDGGOCOHNR-AREMUKBSSA-N 0 0 588.715 6.255 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000169616969 571553732 /nfs/dbraw/zinc/55/37/32/571553732.db2.gz CENOFRZMXFMADN-UWFUZCTESA-N 0 0 676.725 7.109 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224471877 571553836 /nfs/dbraw/zinc/55/38/36/571553836.db2.gz IWPQABCAKKLMMI-XIFFEERXSA-N 0 0 751.700 6.424 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224484838 571557160 /nfs/dbraw/zinc/55/71/60/571557160.db2.gz JQELONBKJXIBRT-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224485230 571557164 /nfs/dbraw/zinc/55/71/64/571557164.db2.gz RZWLSXKFSJUDTO-RUZDIDTESA-N 0 0 598.494 5.300 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223848088 571561111 /nfs/dbraw/zinc/56/11/11/571561111.db2.gz LFVMWQSAIZTJAA-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223863618 571563978 /nfs/dbraw/zinc/56/39/78/571563978.db2.gz RFZYOFANQPFIFY-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224513345 571563981 /nfs/dbraw/zinc/56/39/81/571563981.db2.gz FPTRKUTUUSPBMI-DNQXCXABSA-N 0 0 551.422 6.198 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](NC(=O)c4ccccc4)C(C)C)n3C)n2)cc1[N+](=O)[O-] ZINC000197764379 571564551 /nfs/dbraw/zinc/56/45/51/571564551.db2.gz VBJBGWDFXOJJNR-JOCHJYFZSA-N 0 0 565.681 5.013 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198311092 571566927 /nfs/dbraw/zinc/56/69/27/571566927.db2.gz XVHXVCOQAGLTGE-UHFFFAOYSA-N 0 0 638.724 5.163 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223883113 571567688 /nfs/dbraw/zinc/56/76/88/571567688.db2.gz UDNHVUZHBPBTDG-RBTNQOKQSA-N 0 0 649.597 5.531 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198319825 571567838 /nfs/dbraw/zinc/56/78/38/571567838.db2.gz FGTWDMQNAGBIMW-UHFFFAOYSA-N 0 0 660.730 5.700 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224538484 571569558 /nfs/dbraw/zinc/56/95/58/571569558.db2.gz JDOCTXNKLRTCMX-SANMLTNESA-N 0 0 665.596 5.231 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000205670572 571569659 /nfs/dbraw/zinc/56/96/59/571569659.db2.gz AKPZVWGNOQSTMF-CAOOACKPSA-N 0 0 575.315 5.768 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)C1=O ZINC000205693911 571570040 /nfs/dbraw/zinc/57/00/40/571570040.db2.gz LWJYKQXGDWRJQX-VXLYETTFSA-N 0 0 540.472 5.404 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205688295 571570104 /nfs/dbraw/zinc/57/01/04/571570104.db2.gz UCDBVAQMBRNRHE-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224541962 571570376 /nfs/dbraw/zinc/57/03/76/571570376.db2.gz KOKFOCLUSDBPPD-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(I)cc1 ZINC000205756345 571570760 /nfs/dbraw/zinc/57/07/60/571570760.db2.gz JHYWCDKVFRNQCT-VXLYETTFSA-N 0 0 566.760 6.349 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCCC1 ZINC000205797253 571571380 /nfs/dbraw/zinc/57/13/80/571571380.db2.gz RMPSSYFINIZPLF-RGVLZGJSSA-N 0 0 614.396 6.217 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223904656 571571920 /nfs/dbraw/zinc/57/19/20/571571920.db2.gz YJZBZVAUWUUHHG-MRXNPFEDSA-N 0 0 524.470 5.611 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223911725 571573533 /nfs/dbraw/zinc/57/35/33/571573533.db2.gz JCNAUVRAIRIUMN-HXUWFJFHSA-N 0 0 696.020 5.467 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208358649 571573801 /nfs/dbraw/zinc/57/38/01/571573801.db2.gz SRBDFIUZBINZOY-CCLVUABDSA-N 0 0 609.660 5.437 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208359123 571574029 /nfs/dbraw/zinc/57/40/29/571574029.db2.gz OJUFJERXUAYBJS-DTDQMKFYSA-N 0 0 635.698 5.447 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223918049 571575148 /nfs/dbraw/zinc/57/51/48/571575148.db2.gz ULFVDOOXBMUSGF-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000211440235 571576339 /nfs/dbraw/zinc/57/63/39/571576339.db2.gz RMXJTTOOCIOAGD-ZPJNIHSUSA-N 0 0 719.175 7.874 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214174039 571577913 /nfs/dbraw/zinc/57/79/13/571577913.db2.gz PAELLMAVCNZEJQ-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214223861 571578057 /nfs/dbraw/zinc/57/80/57/571578057.db2.gz KNEAYSDMMCMVEY-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224576084 571578452 /nfs/dbraw/zinc/57/84/52/571578452.db2.gz TZCLTNLZIMYOJL-MHZLTWQESA-N 0 0 535.666 5.003 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214392713 571578854 /nfs/dbraw/zinc/57/88/54/571578854.db2.gz PJCRNFQPXJYRES-DJKKODMXSA-N 0 0 554.205 7.161 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214620838 571579709 /nfs/dbraw/zinc/57/97/09/571579709.db2.gz GLLNDOYSYLJWQD-ZVHZXABRSA-N 0 0 630.460 6.722 40 5 KKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 ZINC000214640091 571579843 /nfs/dbraw/zinc/57/98/43/571579843.db2.gz UMDPSKZXSFQZHE-SSDVNMTOSA-N 0 0 593.377 7.713 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214653987 571580012 /nfs/dbraw/zinc/58/00/12/571580012.db2.gz PZIXRHQHJYFDFD-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214676246 571580310 /nfs/dbraw/zinc/58/03/10/571580310.db2.gz SOCALMNJMBONLK-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214717218 571580740 /nfs/dbraw/zinc/58/07/40/571580740.db2.gz PMAXAKFDRPOJKG-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214854771 571581459 /nfs/dbraw/zinc/58/14/59/571581459.db2.gz JIAFDXAJZBXWLV-AFUMVMLFSA-N 0 0 557.540 6.694 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214857718 571581582 /nfs/dbraw/zinc/58/15/82/571581582.db2.gz PNBASFBXOUPQLN-UFFVCSGVSA-N 0 0 546.344 6.839 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000214905605 571581778 /nfs/dbraw/zinc/58/17/78/571581778.db2.gz UPFONQLPRQPVBR-SSDVNMTOSA-N 0 0 545.400 6.726 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1 ZINC000214898507 571581786 /nfs/dbraw/zinc/58/17/86/571581786.db2.gz RWKUBKVYEZIQCC-OEAKJJBVSA-N 0 0 569.433 6.572 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCC ZINC000214896981 571581808 /nfs/dbraw/zinc/58/18/08/571581808.db2.gz RKMZKSLOPWGHIF-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1 ZINC000214897357 571581824 /nfs/dbraw/zinc/58/18/24/571581824.db2.gz AJFDEUSKXLRRSI-OEAKJJBVSA-N 0 0 616.433 6.414 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214915555 571581875 /nfs/dbraw/zinc/58/18/75/571581875.db2.gz ODCVZUAXFQYNDU-RGVLZGJSSA-N 0 0 515.341 5.862 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214933774 571581996 /nfs/dbraw/zinc/58/19/96/571581996.db2.gz UYBYWQFRFVBWHL-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000215002292 571582364 /nfs/dbraw/zinc/58/23/64/571582364.db2.gz AYIZMWNSZDVGOU-CVKSISIWSA-N 0 0 605.466 7.335 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215002106 571582398 /nfs/dbraw/zinc/58/23/98/571582398.db2.gz PZBVHIZFXHHATL-YDZHTSKRSA-N 0 0 614.430 6.480 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1 ZINC000215004026 571582402 /nfs/dbraw/zinc/58/24/02/571582402.db2.gz BMFZFORSPCBTRH-LPYMAVHISA-N 0 0 602.406 6.024 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000214992374 571582426 /nfs/dbraw/zinc/58/24/26/571582426.db2.gz ORMFWSLANQOBGF-FOKLQQMPSA-N 0 0 632.876 6.273 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223953141 571582658 /nfs/dbraw/zinc/58/26/58/571582658.db2.gz UYOAUCRLHICODP-AFMDSPMNSA-N 0 0 588.488 5.844 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215140081 571583468 /nfs/dbraw/zinc/58/34/68/571583468.db2.gz CWUQEQRKZIPCFG-NUGSKGIGSA-N 0 0 607.841 6.974 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 ZINC000215194344 571583620 /nfs/dbraw/zinc/58/36/20/571583620.db2.gz KPOMSYCTRYKNBJ-SRZZPIQSSA-N 0 0 626.350 7.247 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215192960 571583636 /nfs/dbraw/zinc/58/36/36/571583636.db2.gz QZEPHIPYCHETOO-GZIVZEMBSA-N 0 0 555.908 5.914 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000223957482 571583655 /nfs/dbraw/zinc/58/36/55/571583655.db2.gz BJCRYRFEURAFMC-SXOMAYOGSA-N 0 0 527.606 5.264 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000223957354 571583701 /nfs/dbraw/zinc/58/37/01/571583701.db2.gz XDSAIFGEHYZVHK-SVBPBHIXSA-N 0 0 527.606 5.264 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(I)cc1 ZINC000215222005 571583904 /nfs/dbraw/zinc/58/39/04/571583904.db2.gz GMTHXDOFSCMMTI-LPYMAVHISA-N 0 0 572.380 6.015 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215221447 571583935 /nfs/dbraw/zinc/58/39/35/571583935.db2.gz NDBVPXBKHVQLGL-PGGKNCGUSA-N 0 0 694.887 6.796 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215222441 571583993 /nfs/dbraw/zinc/58/39/93/571583993.db2.gz DRLAQFXAZUTPOS-SRZZPIQSSA-N 0 0 633.376 6.145 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000215263096 571584283 /nfs/dbraw/zinc/58/42/83/571584283.db2.gz BNLDQEANJDSARO-FSJBWODESA-N 0 0 621.868 7.364 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215241746 571584306 /nfs/dbraw/zinc/58/43/06/571584306.db2.gz MWJZODCXGJSMGX-KIBLKLHPSA-N 0 0 568.991 6.191 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967612 571585446 /nfs/dbraw/zinc/58/54/46/571585446.db2.gz ZXPOJHPZPWJOEC-RBISFHTESA-N 0 0 549.693 5.391 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224619882 571588426 /nfs/dbraw/zinc/58/84/26/571588426.db2.gz TVOZQYNDGIAUAH-PMERELPUSA-N 0 0 636.771 5.016 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224621335 571588579 /nfs/dbraw/zinc/58/85/79/571588579.db2.gz IUZSIYVXTIHSGD-YTTGMZPUSA-N 0 0 658.777 5.354 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223984144 571588992 /nfs/dbraw/zinc/58/89/92/571588992.db2.gz KYODYELIQLUTPR-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224627128 571589964 /nfs/dbraw/zinc/58/99/64/571589964.db2.gz RKHPYILVGHTNRM-UMSFTDKQSA-N 0 0 702.830 5.671 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224628934 571590493 /nfs/dbraw/zinc/59/04/93/571590493.db2.gz CMTDMDUMDRACFW-XIFFEERXSA-N 0 0 737.275 6.324 40 5 KKBBRN CCSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000216131568 571593202 /nfs/dbraw/zinc/59/32/02/571593202.db2.gz BIPAYLRCLBMTML-UHFFFAOYSA-N 0 0 550.058 5.511 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 ZINC000224647620 571594387 /nfs/dbraw/zinc/59/43/87/571594387.db2.gz PRPJKKLHSRCPSE-WDYNHAJCSA-N 0 0 533.613 6.750 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 ZINC000224656881 571597049 /nfs/dbraw/zinc/59/70/49/571597049.db2.gz NRHJATBRHNGDEU-URLMMPGGSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224687279 571604264 /nfs/dbraw/zinc/60/42/64/571604264.db2.gz UXVCPAYUDCRHFI-QFIPXVFZSA-N 0 0 631.151 5.012 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224072851 571606552 /nfs/dbraw/zinc/60/65/52/571606552.db2.gz FCELKBISWMBBES-KAYWLYCHSA-N 0 0 581.050 6.114 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C ZINC000224104338 571610517 /nfs/dbraw/zinc/61/05/17/571610517.db2.gz NGVIAMATOJAZDS-SXOMAYOGSA-N 0 0 540.649 5.861 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000224107149 571610944 /nfs/dbraw/zinc/61/09/44/571610944.db2.gz IGAQKPOPKSRYJI-SXOMAYOGSA-N 0 0 541.633 6.330 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C ZINC000224114932 571611616 /nfs/dbraw/zinc/61/16/16/571611616.db2.gz VBQZZIZEOUEGKE-SXOMAYOGSA-N 0 0 541.633 6.330 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C ZINC000224115269 571611630 /nfs/dbraw/zinc/61/16/30/571611630.db2.gz WBYLOTIJEPUNEF-KAYWLYCHSA-N 0 0 541.633 6.330 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C ZINC000224115111 571611673 /nfs/dbraw/zinc/61/16/73/571611673.db2.gz WBYLOTIJEPUNEF-SVBPBHIXSA-N 0 0 541.633 6.330 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224760231 571614645 /nfs/dbraw/zinc/61/46/45/571614645.db2.gz XMDAAUFEZXAWEP-QFIPXVFZSA-N 0 0 631.151 5.012 40 5 KKBBRN Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224760763 571614653 /nfs/dbraw/zinc/61/46/53/571614653.db2.gz WSRHYOVRMXKJAT-PKTZIBPZSA-N 0 0 504.662 6.688 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Br)s3)cc2)cc1 ZINC000224761452 571614708 /nfs/dbraw/zinc/61/47/08/571614708.db2.gz OYYFXWYVFYUIDF-XZOQPEGZSA-N 0 0 569.531 7.142 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccnc3)cc2)cc1 ZINC000224762288 571614800 /nfs/dbraw/zinc/61/48/00/571614800.db2.gz SJPGECIBOJDVIU-VSGBNLITSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 ZINC000224763773 571614959 /nfs/dbraw/zinc/61/49/59/571614959.db2.gz RIRLOZZJBNJBCO-IOWSJCHKSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 ZINC000224765619 571615078 /nfs/dbraw/zinc/61/50/78/571615078.db2.gz DBTUWUGTCXQBGM-XZWHSSHBSA-N 0 0 578.723 7.121 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 ZINC000224766719 571615170 /nfs/dbraw/zinc/61/51/70/571615170.db2.gz MEAAROIYIIYQQS-WDYNHAJCSA-N 0 0 584.126 7.762 40 5 KKBBRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224767085 571615188 /nfs/dbraw/zinc/61/51/88/571615188.db2.gz XOUBCZAUDFGDKJ-LOYHVIPDSA-N 0 0 563.708 7.417 40 5 KKBBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 ZINC000224767995 571615239 /nfs/dbraw/zinc/61/52/39/571615239.db2.gz GVPSKWCRTABNGG-VMPREFPWSA-N 0 0 564.696 6.812 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224768638 571615296 /nfs/dbraw/zinc/61/52/96/571615296.db2.gz OFYMNGSFJYFWNC-XIFFEERXSA-N 0 0 640.762 5.489 40 5 KKBBRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224769740 571615446 /nfs/dbraw/zinc/61/54/46/571615446.db2.gz BQGSDVXPNDOXTM-RRPNLBNLSA-N 0 0 529.691 6.756 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774305 571615846 /nfs/dbraw/zinc/61/58/46/571615846.db2.gz HZLYMCUPIHAXPZ-QFIPXVFZSA-N 0 0 691.634 6.280 40 5 KKBBRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780166 571616384 /nfs/dbraw/zinc/61/63/84/571616384.db2.gz LZFXIOMGQZFGMV-CLJLJLNGSA-N 0 0 515.664 6.701 40 5 KKBBRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780910 571616476 /nfs/dbraw/zinc/61/64/76/571616476.db2.gz LOSXTAFNOOXJED-KYJUHHDHSA-N 0 0 563.708 7.417 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 ZINC000224782285 571616577 /nfs/dbraw/zinc/61/65/77/571616577.db2.gz JLMNWHZBZSSKAH-URLMMPGGSA-N 0 0 628.577 7.871 40 5 KKBBRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224782892 571616602 /nfs/dbraw/zinc/61/66/02/571616602.db2.gz AHMZGKDZDOYZTH-XZWHSSHBSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224784010 571616770 /nfs/dbraw/zinc/61/67/70/571616770.db2.gz BGJACDMPWHVNQJ-VMPREFPWSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224786041 571617040 /nfs/dbraw/zinc/61/70/40/571617040.db2.gz QEISKDDGZXMSOJ-VMPREFPWSA-N 0 0 585.110 8.232 40 5 KKBBRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 ZINC000224788595 571617198 /nfs/dbraw/zinc/61/71/98/571617198.db2.gz IFPLCYJUZYHQQJ-LOYHVIPDSA-N 0 0 643.588 8.649 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 ZINC000224788393 571617207 /nfs/dbraw/zinc/61/72/07/571617207.db2.gz XMZYJTOLFHJGQV-VMPREFPWSA-N 0 0 647.551 8.480 40 5 KKBBRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224790067 571617302 /nfs/dbraw/zinc/61/73/02/571617302.db2.gz RNYSBKYCYQMKKJ-LOSJGSFVSA-N 0 0 501.637 6.140 40 5 KKBBRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl ZINC000224789705 571617307 /nfs/dbraw/zinc/61/73/07/571617307.db2.gz CCNKZDHHJSLUQV-KYJUHHDHSA-N 0 0 599.137 8.540 40 5 KKBBRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224791700 571617514 /nfs/dbraw/zinc/61/75/14/571617514.db2.gz ALHRLRWQQILXSN-ACHIHNKUSA-N 0 0 591.762 8.034 40 5 KKBBRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224792552 571617596 /nfs/dbraw/zinc/61/75/96/571617596.db2.gz MDBIVBULWNUQRJ-LOYHVIPDSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224792679 571617619 /nfs/dbraw/zinc/61/76/19/571617619.db2.gz MDBIVBULWNUQRJ-KYJUHHDHSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224793381 571617686 /nfs/dbraw/zinc/61/76/86/571617686.db2.gz WSVZFUFJKTVENX-XZWHSSHBSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224795273 571617876 /nfs/dbraw/zinc/61/78/76/571617876.db2.gz VBZFMGHUVIHZQR-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224796038 571617904 /nfs/dbraw/zinc/61/79/04/571617904.db2.gz OOZBINUOMMYQHY-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224799475 571618270 /nfs/dbraw/zinc/61/82/70/571618270.db2.gz PYZTYTDRHCPPQH-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224799543 571618284 /nfs/dbraw/zinc/61/82/84/571618284.db2.gz RHFNMTVGYOXUIN-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224807356 571618998 /nfs/dbraw/zinc/61/89/98/571618998.db2.gz CIEACARCRYPRSO-XIFFEERXSA-N 0 0 707.249 6.234 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224816584 571619796 /nfs/dbraw/zinc/61/97/96/571619796.db2.gz BEADVEIXBBCAHZ-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224816701 571619826 /nfs/dbraw/zinc/61/98/26/571619826.db2.gz FYGCMJUEMQSXAJ-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 ZINC000224819323 571620102 /nfs/dbraw/zinc/62/01/02/571620102.db2.gz HHKLJLLNLQDSDP-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 ZINC000224819273 571620140 /nfs/dbraw/zinc/62/01/40/571620140.db2.gz HHKLJLLNLQDSDP-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 ZINC000224819364 571620147 /nfs/dbraw/zinc/62/01/47/571620147.db2.gz HHKLJLLNLQDSDP-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 ZINC000224822687 571620470 /nfs/dbraw/zinc/62/04/70/571620470.db2.gz WDWBUQZCCRUXSN-IZZNHLLZSA-N 0 0 532.578 5.453 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224825772 571620774 /nfs/dbraw/zinc/62/07/74/571620774.db2.gz MVFCBJQRTVRDOG-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224852538 571623288 /nfs/dbraw/zinc/62/32/88/571623288.db2.gz MPCRYJOHPJWETG-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224854257 571623493 /nfs/dbraw/zinc/62/34/93/571623493.db2.gz SDZUCMQTANSZDO-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224858752 571623923 /nfs/dbraw/zinc/62/39/23/571623923.db2.gz MJWTYDILQMNRGH-XIFFEERXSA-N 0 0 693.222 5.925 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224860470 571624101 /nfs/dbraw/zinc/62/41/01/571624101.db2.gz GISURIPNVZAUKE-QFIPXVFZSA-N 0 0 691.634 6.280 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224869950 571625115 /nfs/dbraw/zinc/62/51/15/571625115.db2.gz UHJBYIBGRRXMIV-NDEPHWFRSA-N 0 0 566.123 6.180 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224870996 571625156 /nfs/dbraw/zinc/62/51/56/571625156.db2.gz SFZODDWFSWPBNH-MHZLTWQESA-N 0 0 520.029 5.490 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224878666 571625977 /nfs/dbraw/zinc/62/59/77/571625977.db2.gz IYVKHDDMHBNMHA-DHUJRADRSA-N 0 0 719.260 6.459 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224878537 571625995 /nfs/dbraw/zinc/62/59/95/571625995.db2.gz ZAVWUGJJLVGHJA-QGZVFWFLSA-N 0 0 538.497 6.001 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224880031 571626084 /nfs/dbraw/zinc/62/60/84/571626084.db2.gz GEXOSRNUVLKITK-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224885927 571626708 /nfs/dbraw/zinc/62/67/08/571626708.db2.gz PSTMBMMDHOQHCV-LJQANCHMSA-N 0 0 607.516 5.040 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224894846 571627654 /nfs/dbraw/zinc/62/76/54/571627654.db2.gz ORWIRTPQSYTACE-MUUNZHRXSA-N 0 0 566.123 6.180 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224927223 571630826 /nfs/dbraw/zinc/63/08/26/571630826.db2.gz ZBDHIBSBASNONT-FQEVSTJZSA-N 0 0 651.569 5.357 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224935765 571631684 /nfs/dbraw/zinc/63/16/84/571631684.db2.gz XQOUZHWSNVZBEU-HKBQPEDESA-N 0 0 632.714 5.094 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224962894 571634367 /nfs/dbraw/zinc/63/43/67/571634367.db2.gz RBJWZMSVMMZKEJ-LJQANCHMSA-N 0 0 686.014 6.011 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224967712 571634831 /nfs/dbraw/zinc/63/48/31/571634831.db2.gz GXVBNHROKUKZJR-BJKOFHAPSA-N 0 0 505.987 5.620 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224969882 571635035 /nfs/dbraw/zinc/63/50/35/571635035.db2.gz UELUOHAOCFMGFM-ZEQRLZLVSA-N 0 0 506.971 6.089 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000224996355 571637612 /nfs/dbraw/zinc/63/76/12/571637612.db2.gz XRKPKUZKKZJGGD-WDYNHAJCSA-N 0 0 573.122 6.847 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000224996253 571637625 /nfs/dbraw/zinc/63/76/25/571637625.db2.gz GLSHOGKNICWMGE-FQLXRVMXSA-N 0 0 573.122 6.847 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 ZINC000225001364 571638099 /nfs/dbraw/zinc/63/80/99/571638099.db2.gz IZACLTMSFJYWEC-XZWHSSHBSA-N 0 0 604.132 7.325 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225009890 571638749 /nfs/dbraw/zinc/63/87/49/571638749.db2.gz BKQCKOVNEQETLE-GDLZYMKVSA-N 0 0 592.718 5.046 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225012905 571638954 /nfs/dbraw/zinc/63/89/54/571638954.db2.gz RSWMXVZSHOYZCX-MHZLTWQESA-N 0 0 564.480 5.599 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225014667 571639087 /nfs/dbraw/zinc/63/90/87/571639087.db2.gz CHMDGVGXUQJPNK-WJOKGBTCSA-N 0 0 693.620 5.717 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225040722 571641298 /nfs/dbraw/zinc/64/12/98/571641298.db2.gz KDZURHGGDLPWAU-HKBQPEDESA-N 0 0 683.614 6.262 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225041025 571641314 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ZINC000225647235 571996015 /nfs/dbraw/zinc/99/60/15/571996015.db2.gz OUFMOGDTOGEKNJ-UUWRZZSWSA-N 0 0 737.275 6.326 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000225653521 572000866 /nfs/dbraw/zinc/00/08/66/572000866.db2.gz MKZREDVTFCCNRT-RRPNLBNLSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225653637 572000890 /nfs/dbraw/zinc/00/08/90/572000890.db2.gz ZHIGTMSJGNRRPK-RRPNLBNLSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225658460 572004834 /nfs/dbraw/zinc/00/48/34/572004834.db2.gz YBNOVAXRTFDULT-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225658611 572004840 /nfs/dbraw/zinc/00/48/40/572004840.db2.gz IIZPLDIMZRHFSD-SXOMAYOGSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261013332 572009377 /nfs/dbraw/zinc/00/93/77/572009377.db2.gz SXQZLBSNQGJOON-JOCHJYFZSA-N 0 0 643.162 5.237 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000261015008 572011923 /nfs/dbraw/zinc/01/19/23/572011923.db2.gz UEJDPCQSDBYGJU-GDLZYMKVSA-N 0 0 661.608 5.675 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225673762 572014599 /nfs/dbraw/zinc/01/45/99/572014599.db2.gz XJJBTPFEJLOATK-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225674934 572015259 /nfs/dbraw/zinc/01/52/59/572015259.db2.gz BBIHSPNOPFMDCM-RRPNLBNLSA-N 0 0 543.605 5.260 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000261018118 572018304 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225708389 572038567 /nfs/dbraw/zinc/03/85/67/572038567.db2.gz IUWOBWLUDPSBJH-FQRUVTKNSA-N 0 0 714.068 6.789 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000225711074 572041064 /nfs/dbraw/zinc/04/10/64/572041064.db2.gz LWQITVYVXADVHD-LOYHVIPDSA-N 0 0 562.655 5.935 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc21 ZINC000225712332 572041596 /nfs/dbraw/zinc/04/15/96/572041596.db2.gz HONBESXZGOZXLZ-LOYHVIPDSA-N 0 0 563.639 6.404 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261038706 572042064 /nfs/dbraw/zinc/04/20/64/572042064.db2.gz YGOKSIGJPLDVAZ-KMRXNPHXSA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225718790 572046209 /nfs/dbraw/zinc/04/62/09/572046209.db2.gz FMBLNLQSFHXCNH-YWZLYKJASA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225725393 572049072 /nfs/dbraw/zinc/04/90/72/572049072.db2.gz FVUYATOVOSXAJO-OPAMFIHVSA-N 0 0 526.486 5.857 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225729566 572051227 /nfs/dbraw/zinc/05/12/27/572051227.db2.gz PJEZLOREKCPZHN-HHHXNRCGSA-N 0 0 519.667 5.240 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261055893 572059736 /nfs/dbraw/zinc/05/97/36/572059736.db2.gz MVRMRERKIRECCR-FOPBOCKXSA-N 0 0 672.804 5.662 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261060415 572062780 /nfs/dbraw/zinc/06/27/80/572062780.db2.gz NSJFIZNBIJHXAB-UKJJDJLKSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261061434 572062872 /nfs/dbraw/zinc/06/28/72/572062872.db2.gz NUELHNIUVSEGSR-JKFCTSDTSA-N 0 0 707.249 6.315 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261068134 572067547 /nfs/dbraw/zinc/06/75/47/572067547.db2.gz PBUZFMWVNSJAKV-HXUWFJFHSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261081739 572075749 /nfs/dbraw/zinc/07/57/49/572075749.db2.gz RJGHQBKYJNNTJQ-CMVGPNDKSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261091320 572081772 /nfs/dbraw/zinc/08/17/72/572081772.db2.gz UDNHVUZHBPBTDG-KMRXNPHXSA-N 0 0 649.597 5.531 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261093497 572083191 /nfs/dbraw/zinc/08/31/91/572083191.db2.gz UPKNRKUIYOPUEA-FOPBOCKXSA-N 0 0 721.276 6.624 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261109025 572093844 /nfs/dbraw/zinc/09/38/44/572093844.db2.gz XNJMBJQLMWTBLH-DICHSLLOSA-N 0 0 628.751 5.345 40 5 KKBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000261362798 572104805 /nfs/dbraw/zinc/10/48/05/572104805.db2.gz FEEYSKGQYQFEKU-RUZDIDTESA-O 0 0 553.020 5.764 40 5 KKBBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261366139 572109295 /nfs/dbraw/zinc/10/92/95/572109295.db2.gz XOLVJXSWSMPLLN-NDEPHWFRSA-O 0 0 560.656 6.199 40 5 KKBBRN COc1cc2ccc3c(CCN(C)C(=O)c4ccc5c(c4)OCO5)cc(OC)c(OC)c3c2cc1OC ZINC000263586606 572124397 /nfs/dbraw/zinc/12/43/97/572124397.db2.gz WBVFUZJUJIYEQQ-UHFFFAOYSA-N 0 0 503.551 5.071 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 ZINC000226628923 572139079 /nfs/dbraw/zinc/13/90/79/572139079.db2.gz YUBUBTHBZIIYES-NQCYILGJSA-N 0 0 662.698 6.801 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408529594 572168868 /nfs/dbraw/zinc/16/88/68/572168868.db2.gz MRNAMGDZMKLMNZ-UUWRZZSWSA-N 0 0 634.714 7.078 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408532494 572179995 /nfs/dbraw/zinc/17/99/95/572179995.db2.gz ZBYSVKCYBCEGPI-UUWRZZSWSA-N 0 0 618.715 7.378 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 ZINC000230093301 572183288 /nfs/dbraw/zinc/18/32/88/572183288.db2.gz IPNOEJKGVICOJE-NFAPWKBDSA-N 0 0 543.620 5.146 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543675 572213356 /nfs/dbraw/zinc/21/33/56/572213356.db2.gz PYMMNRIXCHFLDH-VEILYXNESA-N 0 0 587.654 6.045 40 5 KKBBRN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408545503 572218999 /nfs/dbraw/zinc/21/89/99/572218999.db2.gz SSKAIFJQEZYDFW-UHFFFAOYSA-N 0 0 562.866 6.516 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408547244 572224606 /nfs/dbraw/zinc/22/46/06/572224606.db2.gz XMMFFPSNGHBELY-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000245333842 572236437 /nfs/dbraw/zinc/23/64/37/572236437.db2.gz BCZNXSTYRXQCQO-OSCFFGAZSA-N 0 0 506.558 5.701 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408553529 572240711 /nfs/dbraw/zinc/24/07/11/572240711.db2.gz AEWSUODYDLQYGB-QHCPKHFHSA-N 0 0 641.827 6.731 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408554844 572242290 /nfs/dbraw/zinc/24/22/90/572242290.db2.gz DNWJRKPOEDBYHZ-JOCHJYFZSA-N 0 0 501.904 5.736 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408556593 572244015 /nfs/dbraw/zinc/24/40/15/572244015.db2.gz KSGZVUCWPJRDOU-DEOSSOPVSA-N 0 0 610.857 6.609 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 ZINC000408557112 572244478 /nfs/dbraw/zinc/24/44/78/572244478.db2.gz MXHBUILTRGLHMG-UHFFFAOYSA-N 0 0 583.220 6.552 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl ZINC000408557302 572244602 /nfs/dbraw/zinc/24/46/02/572244602.db2.gz MJPREZYKPRMHMP-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2cccc(F)c2)c1 ZINC000408557766 572245123 /nfs/dbraw/zinc/24/51/23/572245123.db2.gz OTCYBUKGSXWNFE-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1 ZINC000408558477 572245848 /nfs/dbraw/zinc/24/58/48/572245848.db2.gz RLUZRVIBEJUUJC-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408558927 572246343 /nfs/dbraw/zinc/24/63/43/572246343.db2.gz TUZAJYUKNAYCCQ-UHFFFAOYSA-N 0 0 548.821 6.347 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559405 572246671 /nfs/dbraw/zinc/24/66/71/572246671.db2.gz ZRKOBUIBGKVDTN-QHCPKHFHSA-N 0 0 596.830 6.219 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563865 572249731 /nfs/dbraw/zinc/24/97/31/572249731.db2.gz BFRQKFBLGRCHLM-SQOVJYTMSA-N 0 0 617.294 5.321 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563846 572249761 /nfs/dbraw/zinc/24/97/61/572249761.db2.gz BDEIMUKMDCZMHZ-YUHKXCSQSA-N 0 0 568.855 5.736 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564753 572250814 /nfs/dbraw/zinc/25/08/14/572250814.db2.gz FTOJUAKUKNNPND-BQGAEBSMSA-N 0 0 598.881 5.745 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000408564852 572251020 /nfs/dbraw/zinc/25/10/20/572251020.db2.gz AOKMUWBFBVIRNC-HSZRJFAPSA-N 0 0 570.425 5.936 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000408564784 572251039 /nfs/dbraw/zinc/25/10/39/572251039.db2.gz AFAPWBIWNXPCQJ-MHZLTWQESA-N 0 0 518.639 6.280 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564790 572251044 /nfs/dbraw/zinc/25/10/44/572251044.db2.gz AGTKFJJXYMCTPD-HXUWFJFHSA-N 0 0 564.263 7.624 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(C)cc1 ZINC000408564878 572251320 /nfs/dbraw/zinc/25/13/20/572251320.db2.gz AQGAFEAJLSYIHB-XMMPIXPASA-N 0 0 505.556 5.481 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408564977 572251415 /nfs/dbraw/zinc/25/14/15/572251415.db2.gz AVIOARJXYCAYBM-LJAQVGFWSA-N 0 0 556.644 6.435 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564954 572251483 /nfs/dbraw/zinc/25/14/83/572251483.db2.gz GTWVSJORXOCCFF-YJIIWGRFSA-N 0 0 570.415 5.088 40 5 KKBBRN Cc1ccc(COc2ccc([C@H]3C([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565008 572251505 /nfs/dbraw/zinc/25/15/05/572251505.db2.gz HCAQSLFQIVOPEH-HDEUIXPWSA-N 0 0 548.437 5.391 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564959 572251507 /nfs/dbraw/zinc/25/15/07/572251507.db2.gz GUOFDSZWBGIMJQ-WSNNEZGNSA-N 0 0 516.356 5.233 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408564968 572251518 /nfs/dbraw/zinc/25/15/18/572251518.db2.gz AVBYWQDZCRKZDY-NDEPHWFRSA-N 0 0 605.514 7.189 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565175 572251869 /nfs/dbraw/zinc/25/18/69/572251869.db2.gz INJIZEBSMJNLEB-KLPDMWAPSA-N 0 0 596.453 5.620 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565280 572252114 /nfs/dbraw/zinc/25/21/14/572252114.db2.gz BNGSJMYZOVEIFD-HSZRJFAPSA-N 0 0 563.894 7.533 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408565253 572252118 /nfs/dbraw/zinc/25/21/18/572252118.db2.gz BLLKJQCXKDQEJA-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565266 572252132 /nfs/dbraw/zinc/25/21/32/572252132.db2.gz BLUIUWHMXYVFOM-QHCPKHFHSA-N 0 0 516.957 6.196 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565333 572252481 /nfs/dbraw/zinc/25/24/81/572252481.db2.gz BRUAHZMSNMFQAJ-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 ZINC000408565300 572252482 /nfs/dbraw/zinc/25/24/82/572252482.db2.gz BPZNNAFVBZHAMR-XMMPIXPASA-N 0 0 556.000 5.835 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408565287 572252503 /nfs/dbraw/zinc/25/25/03/572252503.db2.gz BPPHVJDBYFMGKJ-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565489 572252806 /nfs/dbraw/zinc/25/28/06/572252806.db2.gz CBLRNRBINOCPOF-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1Cl ZINC000408565981 572253315 /nfs/dbraw/zinc/25/33/15/572253315.db2.gz DMARODVSEYLIGD-FQEVSTJZSA-N 0 0 529.818 6.970 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000408566083 572253498 /nfs/dbraw/zinc/25/34/98/572253498.db2.gz DUVRZMACMRBZKB-GDLZYMKVSA-N 0 0 540.645 6.817 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408566312 572253572 /nfs/dbraw/zinc/25/35/72/572253572.db2.gz FHHZKXMKCNRELC-AREMUKBSSA-N 0 0 504.612 5.890 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408566578 572253688 /nfs/dbraw/zinc/25/36/88/572253688.db2.gz FQAJGISVJGTOBW-VWLOTQADSA-N 0 0 573.046 6.465 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408566570 572253759 /nfs/dbraw/zinc/25/37/59/572253759.db2.gz FPTXYVAECYUAGC-NDEPHWFRSA-N 0 0 589.515 7.489 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408566656 572253846 /nfs/dbraw/zinc/25/38/46/572253846.db2.gz FXMIFONCACJWIK-HHHXNRCGSA-N 0 0 627.561 7.133 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566648 572253905 /nfs/dbraw/zinc/25/39/05/572253905.db2.gz OHUBQQSZSAXIBZ-STNVRERYSA-N 0 0 586.870 5.602 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OCC)c(OC)cc2Br)cc1 ZINC000408566792 572254068 /nfs/dbraw/zinc/25/40/68/572254068.db2.gz GDRQVUJZSKSNPE-NRFANRHFSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000408567072 572254179 /nfs/dbraw/zinc/25/41/79/572254179.db2.gz GHGBGZAUQZIIJK-MHZLTWQESA-N 0 0 603.528 7.369 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408567551 572254281 /nfs/dbraw/zinc/25/42/81/572254281.db2.gz GVLCAIJIOPDSDK-IBGZPJMESA-N 0 0 527.828 5.509 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408567717 572254412 /nfs/dbraw/zinc/25/44/12/572254412.db2.gz HFFRSDIYXSHJOI-RUZDIDTESA-N 0 0 622.372 7.951 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408568063 572254519 /nfs/dbraw/zinc/25/45/19/572254519.db2.gz HLXNSAPCBPJQKU-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567714 572254459 /nfs/dbraw/zinc/25/44/59/572254459.db2.gz QZFQBPAENLKNNS-UYDITSSVSA-N 0 0 542.419 5.493 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000408568112 572254686 /nfs/dbraw/zinc/25/46/86/572254686.db2.gz HSBIHINUIIZSIZ-HHHXNRCGSA-N 0 0 534.638 6.062 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408568096 572254740 /nfs/dbraw/zinc/25/47/40/572254740.db2.gz HQSZTCVTOYJNNM-AREMUKBSSA-N 0 0 571.074 7.073 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568352 572254814 /nfs/dbraw/zinc/25/48/14/572254814.db2.gz TYULBJYLDBUPFK-TUPPOGIXSA-N 0 0 524.404 5.627 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568181 572254820 /nfs/dbraw/zinc/25/48/20/572254820.db2.gz SGRMJSHLZLWWEK-FMNCTDSISA-N 0 0 542.817 5.203 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408568564 572255005 /nfs/dbraw/zinc/25/50/05/572255005.db2.gz IASRWNIFLYCPTD-SANMLTNESA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568417 572255040 /nfs/dbraw/zinc/25/50/40/572255040.db2.gz UJPQYLSOYXQWOL-YDOVEJIGSA-N 0 0 586.870 5.602 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568377 572255042 /nfs/dbraw/zinc/25/50/42/572255042.db2.gz UFAKGGMKOWJYIE-BBFXTFFKSA-N 0 0 564.436 5.091 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408568541 572255099 /nfs/dbraw/zinc/25/50/99/572255099.db2.gz HZRFKXIYGQORRA-AREMUKBSSA-N 0 0 583.508 6.734 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408568721 572255204 /nfs/dbraw/zinc/25/52/04/572255204.db2.gz ILFQQARGFDTTDN-AREMUKBSSA-N 0 0 666.425 8.350 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568868 572255297 /nfs/dbraw/zinc/25/52/97/572255297.db2.gz VCQIEFCWRHDVQY-UQBYDPJISA-N 0 0 552.400 5.222 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408568871 572255305 /nfs/dbraw/zinc/25/53/05/572255305.db2.gz VCQIEFCWRHDVQY-YUHKXCSQSA-N 0 0 552.400 5.222 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568865 572255326 /nfs/dbraw/zinc/25/53/26/572255326.db2.gz VCQIEFCWRHDVQY-TUPPOGIXSA-N 0 0 552.400 5.222 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408569515 572255713 /nfs/dbraw/zinc/25/57/13/572255713.db2.gz JJVWZTVHXHQWAV-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408569552 572255785 /nfs/dbraw/zinc/25/57/85/572255785.db2.gz JNBFOJJYDAFHLZ-HSZRJFAPSA-N 0 0 634.350 6.798 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408569609 572255884 /nfs/dbraw/zinc/25/58/84/572255884.db2.gz JUSJOMBRDVFFSU-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408569629 572255908 /nfs/dbraw/zinc/25/59/08/572255908.db2.gz JXXMMYWDKJZRJQ-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408569977 572256115 /nfs/dbraw/zinc/25/61/15/572256115.db2.gz KLLDWLHZGALGHO-XMMPIXPASA-N 0 0 559.475 6.889 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c(Br)cc1OC ZINC000408570266 572256259 /nfs/dbraw/zinc/25/62/59/572256259.db2.gz KPSLVAQSLFPWIQ-NRFANRHFSA-N 0 0 521.437 5.472 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408570401 572256376 /nfs/dbraw/zinc/25/63/76/572256376.db2.gz LJDLJEGMFMAUCK-RUZDIDTESA-N 0 0 601.498 6.874 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408570392 572256402 /nfs/dbraw/zinc/25/64/02/572256402.db2.gz LIPMOYNAFXDPPQ-RUZDIDTESA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408570285 572256423 /nfs/dbraw/zinc/25/64/23/572256423.db2.gz KTHVXEJDNVBWTN-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408570670 572256477 /nfs/dbraw/zinc/25/64/77/572256477.db2.gz LVATXCIMACACTJ-RUZDIDTESA-N 0 0 573.046 6.465 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408570569 572256490 /nfs/dbraw/zinc/25/64/90/572256490.db2.gz LJSVMDWUFJGCGP-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408570596 572256498 /nfs/dbraw/zinc/25/64/98/572256498.db2.gz LMQCMUZJRJREPC-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408570864 572256590 /nfs/dbraw/zinc/25/65/90/572256590.db2.gz MAUMGGVOIJLSMX-SSEXGKCCSA-N 0 0 554.672 7.125 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408570725 572256600 /nfs/dbraw/zinc/25/66/00/572256600.db2.gz LZLPAHXABGSUST-JOCHJYFZSA-N 0 0 549.867 7.225 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408570896 572256606 /nfs/dbraw/zinc/25/66/06/572256606.db2.gz MFZUEHGSBAWITQ-VWLOTQADSA-N 0 0 575.474 6.589 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408570861 572256637 /nfs/dbraw/zinc/25/66/37/572256637.db2.gz MAUJEYUBKQCZKH-HHHXNRCGSA-N 0 0 569.083 6.716 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408570935 572256677 /nfs/dbraw/zinc/25/66/77/572256677.db2.gz MKJFOKMVFAOOFR-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408570946 572256682 /nfs/dbraw/zinc/25/66/82/572256682.db2.gz MKZODZMOLBGCHA-QHCPKHFHSA-N 0 0 588.415 6.075 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408570962 572256693 /nfs/dbraw/zinc/25/66/93/572256693.db2.gz MMOJAKSVGMHTES-XMMPIXPASA-N 0 0 605.461 6.704 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC ZINC000408570988 572256695 /nfs/dbraw/zinc/25/66/95/572256695.db2.gz MOWLPWSONUWSBV-KRWDZBQOSA-N 0 0 513.801 5.119 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571051 572256722 /nfs/dbraw/zinc/25/67/22/572256722.db2.gz NCBZESPNCQCSDX-JOCHJYFZSA-N 0 0 584.312 7.878 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408570944 572256729 /nfs/dbraw/zinc/25/67/29/572256729.db2.gz MKUKHPSOOSUHKK-NDEPHWFRSA-N 0 0 548.665 6.371 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408571147 572256830 /nfs/dbraw/zinc/25/68/30/572256830.db2.gz NVMSJRQZOLAJEH-QFIPXVFZSA-N 0 0 509.400 6.625 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571083 572256854 /nfs/dbraw/zinc/25/68/54/572256854.db2.gz NKTIBBMOKZJNFK-RUZDIDTESA-N 0 0 559.475 6.889 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1cccc(C)c1 ZINC000408571268 572256933 /nfs/dbraw/zinc/25/69/33/572256933.db2.gz OCRUVAQTMKGBQM-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571192 572256950 /nfs/dbraw/zinc/25/69/50/572256950.db2.gz OCJMPCWJAIYILR-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571171 572256970 /nfs/dbraw/zinc/25/69/70/572256970.db2.gz NZAPAJRKIBYGHB-JOCHJYFZSA-N 0 0 567.857 7.364 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408571381 572257056 /nfs/dbraw/zinc/25/70/56/572257056.db2.gz OOKCDDZBKJDIMO-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408571638 572257229 /nfs/dbraw/zinc/25/72/29/572257229.db2.gz PIISKZTZZYSUAY-XMMPIXPASA-N 0 0 559.019 6.075 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408571652 572257280 /nfs/dbraw/zinc/25/72/80/572257280.db2.gz PJWBUJPZCZWFOS-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408571828 572257381 /nfs/dbraw/zinc/25/73/81/572257381.db2.gz PQGQFKDPSUGQBF-QHCPKHFHSA-N 0 0 628.763 7.988 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571952 572257482 /nfs/dbraw/zinc/25/74/82/572257482.db2.gz QBIMGCRMWQZHBY-HSZRJFAPSA-N 0 0 567.857 7.364 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408572027 572257542 /nfs/dbraw/zinc/25/75/42/572257542.db2.gz QLCGYFFVBXKMGA-XMMPIXPASA-N 0 0 638.371 7.651 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000408572149 572257556 /nfs/dbraw/zinc/25/75/56/572257556.db2.gz QRUYJNIQBBAYBK-QHCPKHFHSA-N 0 0 589.899 6.689 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000408572210 572257636 /nfs/dbraw/zinc/25/76/36/572257636.db2.gz QVKIETVXOFODFO-DEOSSOPVSA-N 0 0 619.925 6.698 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408572150 572257680 /nfs/dbraw/zinc/25/76/80/572257680.db2.gz QRVSWWWKLCQGQP-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572423 572257773 /nfs/dbraw/zinc/25/77/73/572257773.db2.gz RDJOIYBLRHRQGH-XMMPIXPASA-N 0 0 577.921 7.842 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc2ccccc2c1 ZINC000408572716 572257981 /nfs/dbraw/zinc/25/79/81/572257981.db2.gz RWQKEQFJLKQLML-LJAQVGFWSA-N 0 0 540.645 6.817 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OCC)cc2Br)cc1 ZINC000408572688 572257985 /nfs/dbraw/zinc/25/79/85/572257985.db2.gz RTGNEPXDNZLMAI-OAQYLSRUSA-N 0 0 537.436 5.254 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408572672 572258006 /nfs/dbraw/zinc/25/80/06/572258006.db2.gz RSJIINQCMNYEMH-QHCPKHFHSA-N 0 0 634.896 6.598 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 ZINC000408572641 572258027 /nfs/dbraw/zinc/25/80/27/572258027.db2.gz RPIZQXKZYDEEOU-HHHXNRCGSA-N 0 0 536.629 6.419 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F ZINC000408572756 572258082 /nfs/dbraw/zinc/25/80/82/572258082.db2.gz RYPXVBGUZRNCSP-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408573433 572258798 /nfs/dbraw/zinc/25/87/98/572258798.db2.gz SUHNINBTYDCHIS-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408573510 572258955 /nfs/dbraw/zinc/25/89/55/572258955.db2.gz SZKYTAKLDCOPOU-XMMPIXPASA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000408573939 572259135 /nfs/dbraw/zinc/25/91/35/572259135.db2.gz UEPHMZNQUTVNIG-AREMUKBSSA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408573964 572259156 /nfs/dbraw/zinc/25/91/56/572259156.db2.gz UHNYPIGTDVJERM-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573723 572259195 /nfs/dbraw/zinc/25/91/95/572259195.db2.gz NPAUGBFDKGTUPK-DHZHZOJOSA-N 0 0 544.391 5.700 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408573958 572259206 /nfs/dbraw/zinc/25/92/06/572259206.db2.gz UHCGPTBFMQVGAC-RUZDIDTESA-N 0 0 668.397 7.741 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408574423 572259576 /nfs/dbraw/zinc/25/95/76/572259576.db2.gz UTUOXGCGUFYSPY-HSZRJFAPSA-N 0 0 529.449 6.880 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408574710 572259797 /nfs/dbraw/zinc/25/97/97/572259797.db2.gz CCNMNZUVLUJJCC-UHFFFAOYSA-N 0 0 510.753 5.064 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC ZINC000408575026 572260100 /nfs/dbraw/zinc/26/01/00/572260100.db2.gz VNTJNPLVQURMGC-OAQYLSRUSA-N 0 0 521.437 5.554 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000408575096 572260218 /nfs/dbraw/zinc/26/02/18/572260218.db2.gz WAFDVWUUCXXQBH-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408575494 572260479 /nfs/dbraw/zinc/26/04/79/572260479.db2.gz WJOHYZGAJCRRCG-DEOSSOPVSA-N 0 0 664.376 6.807 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408575412 572260529 /nfs/dbraw/zinc/26/05/29/572260529.db2.gz WDLRFIKFAQDQMS-QHCPKHFHSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408575631 572260600 /nfs/dbraw/zinc/26/06/00/572260600.db2.gz WSIVGSBOUKJRLJ-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408575629 572260595 /nfs/dbraw/zinc/26/05/95/572260595.db2.gz WSILEVMAZJOHBP-SANMLTNESA-N 0 0 615.525 7.182 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408576020 572260978 /nfs/dbraw/zinc/26/09/78/572260978.db2.gz XEGYNBJYRLVTJO-XMMPIXPASA-N 0 0 559.475 6.889 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408576593 572261308 /nfs/dbraw/zinc/26/13/08/572261308.db2.gz XTLPRAAWBIIZFP-XMMPIXPASA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408576546 572261326 /nfs/dbraw/zinc/26/13/26/572261326.db2.gz XRHGADBQAIGIOP-XMMPIXPASA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408576644 572261359 /nfs/dbraw/zinc/26/13/59/572261359.db2.gz XXYVOVNLFUDYBA-SFHVURJKSA-N 0 0 527.828 5.509 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408576679 572261399 /nfs/dbraw/zinc/26/13/99/572261399.db2.gz YBCBIGYWVSJKRW-RUZDIDTESA-N 0 0 601.498 6.874 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408576917 572261573 /nfs/dbraw/zinc/26/15/73/572261573.db2.gz YVDAZAICZPAZRM-FMIVXFBMSA-N 0 0 613.490 5.031 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(C)c1 ZINC000408577039 572261674 /nfs/dbraw/zinc/26/16/74/572261674.db2.gz YLARDXXLUXFNBX-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F ZINC000408577076 572261792 /nfs/dbraw/zinc/26/17/92/572261792.db2.gz YNTXXELWZVEFBG-HXUWFJFHSA-N 0 0 513.363 6.456 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(F)cc1 ZINC000408577364 572261856 /nfs/dbraw/zinc/26/18/56/572261856.db2.gz ZBGRWHLCHVLOAM-HHHXNRCGSA-N 0 0 514.582 6.557 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1 ZINC000408577362 572261896 /nfs/dbraw/zinc/26/18/96/572261896.db2.gz ZBBKGYWMTILXDJ-RUZDIDTESA-N 0 0 571.472 6.783 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408577430 572261929 /nfs/dbraw/zinc/26/19/29/572261929.db2.gz ZLVQVJSBGGXDPS-DEOSSOPVSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408577446 572261958 /nfs/dbraw/zinc/26/19/58/572261958.db2.gz ZNLOPTAHVOMOQF-SANMLTNESA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c(Br)cc1OC ZINC000408577460 572262027 /nfs/dbraw/zinc/26/20/27/572262027.db2.gz ZNTIGSBNTAEKBS-IBGZPJMESA-N 0 0 527.828 5.509 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577486 572262041 /nfs/dbraw/zinc/26/20/41/572262041.db2.gz ZPTYHSHAOIUJAA-QHCPKHFHSA-N 0 0 618.441 6.083 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408577548 572262178 /nfs/dbraw/zinc/26/21/78/572262178.db2.gz ZSCAVQHOMDWYIN-AREMUKBSSA-N 0 0 573.502 7.197 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408577776 572262338 /nfs/dbraw/zinc/26/23/38/572262338.db2.gz ZVYHTGBLFZJKJG-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408577814 572262432 /nfs/dbraw/zinc/26/24/32/572262432.db2.gz ZZTHBNWUVXTXQZ-VWLOTQADSA-N 0 0 617.497 6.574 40 5 KKBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000408591349 572268284 /nfs/dbraw/zinc/26/82/84/572268284.db2.gz LHALBOYMXTXGGY-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408603087 572273470 /nfs/dbraw/zinc/27/34/70/572273470.db2.gz AQYRTQRUMJVROP-UHFFFAOYSA-N 0 0 512.187 6.864 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000408602966 572273513 /nfs/dbraw/zinc/27/35/13/572273513.db2.gz DLLBRCNGSJWKQF-UHFFFAOYSA-N 0 0 503.536 5.221 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408604039 572273828 /nfs/dbraw/zinc/27/38/28/572273828.db2.gz CXEYLDQXZRUOLR-UHFFFAOYSA-N 0 0 522.193 6.320 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1 ZINC000408604885 572274168 /nfs/dbraw/zinc/27/41/68/572274168.db2.gz FPODRBFDDZAHLF-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc21 ZINC000408604851 572274172 /nfs/dbraw/zinc/27/41/72/572274172.db2.gz FNANCFYZVIECFS-UHFFFAOYSA-N 0 0 554.384 6.942 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408605928 572274585 /nfs/dbraw/zinc/27/45/85/572274585.db2.gz HJEVWBCEIAFPBH-UHFFFAOYSA-N 0 0 548.821 6.347 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1 ZINC000408609104 572275654 /nfs/dbraw/zinc/27/56/54/572275654.db2.gz NZGKGXJEAVIYQT-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN Cc1ccc(COc2c(Br)cc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408611546 572276541 /nfs/dbraw/zinc/27/65/41/572276541.db2.gz SYFIPXGJCSMREY-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000408612453 572276907 /nfs/dbraw/zinc/27/69/07/572276907.db2.gz WCLOWBANMHLNRS-UHFFFAOYSA-N 0 0 549.219 6.058 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408612471 572276942 /nfs/dbraw/zinc/27/69/42/572276942.db2.gz WDOAURPIUFXMQA-UHFFFAOYSA-N 0 0 521.706 7.987 40 5 KKBBRN CCn1c2ccccc2c2cc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000408618645 572280241 /nfs/dbraw/zinc/28/02/41/572280241.db2.gz KWRRREXIWMMCJY-UHFFFAOYSA-N 0 0 607.088 6.527 40 5 KKBBRN COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408637455 572294410 /nfs/dbraw/zinc/29/44/10/572294410.db2.gz KROAXQQBPKBEDG-QFIPXVFZSA-N 0 0 582.565 5.967 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408637577 572294491 /nfs/dbraw/zinc/29/44/91/572294491.db2.gz AKUKHMMFKQYJGF-YKQNXRHISA-N 0 0 604.015 5.129 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408637759 572294620 /nfs/dbraw/zinc/29/46/20/572294620.db2.gz BBQDRFOCXFZEQS-ILBGXUMGSA-N 0 0 608.434 6.275 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)cc1 ZINC000408637869 572294685 /nfs/dbraw/zinc/29/46/85/572294685.db2.gz BKZNXBRVALEYOX-UHFFFAOYSA-N 0 0 701.302 7.272 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408638040 572294810 /nfs/dbraw/zinc/29/48/10/572294810.db2.gz BOJITOKUFAGGSA-ZEQRLZLVSA-N 0 0 636.444 5.702 40 5 KKBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408638187 572294996 /nfs/dbraw/zinc/29/49/96/572294996.db2.gz BSGASUKDTLOTFX-INIZCTEOSA-N 0 0 510.344 5.450 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639976 572296244 /nfs/dbraw/zinc/29/62/44/572296244.db2.gz GWQXKJYLMLJUPM-UHFFFAOYSA-N 0 0 663.382 5.565 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408640409 572296443 /nfs/dbraw/zinc/29/64/43/572296443.db2.gz HWDXTQXLOCPUQT-UHFFFAOYSA-N 0 0 608.346 5.250 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641100 572296865 /nfs/dbraw/zinc/29/68/65/572296865.db2.gz JRQHEXCXKKOCQA-UHFFFAOYSA-N 0 0 635.372 6.138 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408642338 572297651 /nfs/dbraw/zinc/29/76/51/572297651.db2.gz MWCLSTHMPSRGPP-ZRZAMGCNSA-N 0 0 561.978 5.456 40 5 KKBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408642669 572297848 /nfs/dbraw/zinc/29/78/48/572297848.db2.gz NSCWUMOTNNJNOT-AWEZNQCLSA-N 0 0 526.332 5.135 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408642637 572297859 /nfs/dbraw/zinc/29/78/59/572297859.db2.gz NMPCXNCAOZAGCW-DVKBMCPXSA-N 0 0 604.015 5.129 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408642723 572297912 /nfs/dbraw/zinc/29/79/12/572297912.db2.gz FCPFDPLBPSFSDH-AGTZKDDFSA-N 0 0 592.007 5.381 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408643364 572298171 /nfs/dbraw/zinc/29/81/71/572298171.db2.gz PGSOUMQTAJGSCN-NOZRDPDXSA-N 0 0 601.999 5.049 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643887 572298425 /nfs/dbraw/zinc/29/84/25/572298425.db2.gz GPFPOTWHAZYVLY-ZRZAMGCNSA-N 0 0 594.407 5.885 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408644012 572298492 /nfs/dbraw/zinc/29/84/92/572298492.db2.gz QMOQRLXMYCDPGG-UHFFFAOYSA-N 0 0 583.940 5.004 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)c1 ZINC000408646919 572300259 /nfs/dbraw/zinc/30/02/59/572300259.db2.gz RGQHUPZOPOPNBZ-UHFFFAOYSA-N 0 0 535.553 5.303 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408647028 572300338 /nfs/dbraw/zinc/30/03/38/572300338.db2.gz JEULBDNTCHNRET-JOCHJYFZSA-N 0 0 598.995 6.051 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000253589837 572300628 /nfs/dbraw/zinc/30/06/28/572300628.db2.gz ACTTVKYFPXTCSY-DLQYFKQDSA-N 0 0 526.976 5.964 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408648230 572301103 /nfs/dbraw/zinc/30/11/03/572301103.db2.gz JUOOFISPECWDOC-YASBFDIKSA-N 0 0 677.669 5.946 40 5 KKBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408648370 572301143 /nfs/dbraw/zinc/30/11/43/572301143.db2.gz WHCVBEIXYJGSRV-JTQLQIEISA-N 0 0 793.444 7.223 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408648448 572301154 /nfs/dbraw/zinc/30/11/54/572301154.db2.gz WKZHOYLBVXUWPQ-UHFFFAOYSA-N 0 0 871.514 8.627 40 5 KKBBRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408648374 572301160 /nfs/dbraw/zinc/30/11/60/572301160.db2.gz WHCVBEIXYJGSRV-SNVBAGLBSA-N 0 0 793.444 7.223 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)c1 ZINC000408648704 572301319 /nfs/dbraw/zinc/30/13/19/572301319.db2.gz YNCRHPRGISKYEN-UHFFFAOYSA-N 0 0 535.553 5.303 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] ZINC000408648883 572301506 /nfs/dbraw/zinc/30/15/06/572301506.db2.gz CQCAMBRRNJBHNA-HCOICLPRSA-N 0 0 593.463 5.792 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408649126 572301590 /nfs/dbraw/zinc/30/15/90/572301590.db2.gz XPAKNIOUHRDILZ-UHFFFAOYSA-N 0 0 663.382 5.565 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000408650244 572302456 /nfs/dbraw/zinc/30/24/56/572302456.db2.gz ZYSMTEFXYRLRMJ-UHFFFAOYSA-N 0 0 624.414 5.719 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408650652 572302780 /nfs/dbraw/zinc/30/27/80/572302780.db2.gz MOOQCNUBEKRINW-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408651674 572303487 /nfs/dbraw/zinc/30/34/87/572303487.db2.gz HCZHWDLWWDEQRU-NVFZYCOYSA-N 0 0 627.436 5.732 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408651737 572303560 /nfs/dbraw/zinc/30/35/60/572303560.db2.gz HFRRYBXUMKXXCI-CCSVULQMSA-N 0 0 578.452 5.687 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000255221229 572303955 /nfs/dbraw/zinc/30/39/55/572303955.db2.gz JKQXZKUSFCKOGQ-ILZYAWKTSA-N 0 0 568.886 10.547 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000255221227 572303977 /nfs/dbraw/zinc/30/39/77/572303977.db2.gz JKQXZKUSFCKOGQ-GOFKDWQQSA-N 0 0 568.886 10.547 40 5 KKBBRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408652931 572304087 /nfs/dbraw/zinc/30/40/87/572304087.db2.gz PFLMKHDIJANJTE-LWLYFKJCSA-N 0 0 606.034 5.769 40 5 KKBBRN O=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000256079672 572305477 /nfs/dbraw/zinc/30/54/77/572305477.db2.gz IJTANGJQVDVKFH-QXQUIYPHSA-N 0 0 689.761 7.450 40 5 KKBBRN Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408655811 572305724 /nfs/dbraw/zinc/30/57/24/572305724.db2.gz LRALDVDDTJNFJB-ZHKRYAAZSA-N 0 0 592.479 5.995 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408656463 572306145 /nfs/dbraw/zinc/30/61/45/572306145.db2.gz SODDMMARODULDE-DQEYMECFSA-N 0 0 561.978 5.456 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)cc1[N+](=O)[O-] ZINC000408661198 572308852 /nfs/dbraw/zinc/30/88/52/572308852.db2.gz OJTMJURKERVJJO-FQEVSTJZSA-N 0 0 545.592 5.528 40 5 KKBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408666015 572311778 /nfs/dbraw/zinc/31/17/78/572311778.db2.gz ZVUHECDJHMUFFZ-JOLGZGHSSA-N 0 0 601.615 5.124 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408666535 572312138 /nfs/dbraw/zinc/31/21/38/572312138.db2.gz VBIOCTHXIPSXAG-ZOMWRJOCSA-N 0 0 627.480 5.843 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408666572 572312160 /nfs/dbraw/zinc/31/21/60/572312160.db2.gz VDMCBQXZHLNRBF-ILBOUBIXSA-N 0 0 612.469 5.738 40 5 KKBBRN C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408672081 572315890 /nfs/dbraw/zinc/31/58/90/572315890.db2.gz ZIAWZAMDUYJYBC-FGKGSEMVSA-N 0 0 585.827 5.273 40 5 KKBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408673683 572316896 /nfs/dbraw/zinc/31/68/96/572316896.db2.gz XNDASLXLAIHGSI-FHIHVLJZSA-N 0 0 613.626 5.258 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@@H](C4=O)C4c6ccccc6C5c5ccccc54)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408673946 572317038 /nfs/dbraw/zinc/31/70/38/572317038.db2.gz YAYRPDXMPZRTHL-AGMRJWFBSA-N 0 0 613.626 5.258 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408678797 572320084 /nfs/dbraw/zinc/32/00/84/572320084.db2.gz DBYPIVLARKJKJV-FZDFQQAASA-N 0 0 529.552 5.044 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680414 572321028 /nfs/dbraw/zinc/32/10/28/572321028.db2.gz GETASGZFGPLNHH-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCCCN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408680895 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1070466692 /nfs/dbraw/zinc/46/66/92/1070466692.db2.gz AFXZXPDMYQHFPX-HAHDFKILSA-N 0 0 540.981 5.951 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409067863 1070484683 /nfs/dbraw/zinc/48/46/83/1070484683.db2.gz DJKIVOKNRNWIPD-UFFVCSGVSA-N 0 0 556.344 5.177 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080636 1070502566 /nfs/dbraw/zinc/50/25/66/1070502566.db2.gz FLLUQUDOOHQJER-IPAKXIGBSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409083040 1070507830 /nfs/dbraw/zinc/50/78/30/1070507830.db2.gz NIPOHISPWLMYQI-ZTJHJZSNSA-N 0 0 808.478 6.984 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409090860 1070525415 /nfs/dbraw/zinc/52/54/15/1070525415.db2.gz PEHJJLLSBSOQEG-WLNFRNCRSA-N 0 0 747.451 6.752 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409101516 1070534222 /nfs/dbraw/zinc/53/42/22/1070534222.db2.gz XXUUQVNCURLGLD-YUEMOGKHSA-N 0 0 611.767 6.572 40 5 KKBBRN Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409117985 1070544248 /nfs/dbraw/zinc/54/42/48/1070544248.db2.gz RYROQCBZUOQALU-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118484 1070544343 /nfs/dbraw/zinc/54/43/43/1070544343.db2.gz NLZDSVINCLBZNH-UHFFFAOYSA-N 0 0 532.378 6.406 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133653 1070558252 /nfs/dbraw/zinc/55/82/52/1070558252.db2.gz MAVIWHNZQHLNFQ-OAQYLSRUSA-N 0 0 636.516 5.286 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409134653 1070558941 /nfs/dbraw/zinc/55/89/41/1070558941.db2.gz SSKUPUFEYFEYEV-MFKUBSTISA-N 0 0 583.460 6.614 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409135264 1070559691 /nfs/dbraw/zinc/55/96/91/1070559691.db2.gz UCTALKRQIIGONV-MFKUBSTISA-N 0 0 583.460 6.614 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409143024 1070571016 /nfs/dbraw/zinc/57/10/16/1070571016.db2.gz YNTAQWZKFMKMCT-LPYMAVHISA-N 0 0 608.454 6.404 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409169962 1070580342 /nfs/dbraw/zinc/58/03/42/1070580342.db2.gz SAGADIHFDUZSGA-MTJSOVHGSA-N 0 0 561.866 7.398 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409164694 1070583039 /nfs/dbraw/zinc/58/30/39/1070583039.db2.gz MFXFSLPQDNTZHR-LPYMAVHISA-N 0 0 568.405 5.611 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000409178850 1070594198 /nfs/dbraw/zinc/59/41/98/1070594198.db2.gz NRMHHBQYVDQDDE-GDLZYMKVSA-N 0 0 557.389 7.898 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409176397 1070591341 /nfs/dbraw/zinc/59/13/41/1070591341.db2.gz MHJKONUQSHXKSI-CIAFOILYSA-N 0 0 511.943 5.746 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177752 1070593098 /nfs/dbraw/zinc/59/30/98/1070593098.db2.gz COYFUZOQXMGCJH-SANMLTNESA-N 0 0 535.961 5.862 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409180222 1070597569 /nfs/dbraw/zinc/59/75/69/1070597569.db2.gz XEHZMLLGJRSANE-UHFFFAOYSA-N 0 0 563.733 5.404 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3C)C4=O)cc2)cc1 ZINC000409180506 1070598066 /nfs/dbraw/zinc/59/80/66/1070598066.db2.gz YTVAQLAXRZRAFW-UHFFFAOYSA-N 0 0 578.533 5.271 40 5 KKBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409181061 1070598402 /nfs/dbraw/zinc/59/84/02/1070598402.db2.gz ZXRPWUBYHPDPFL-UHFFFAOYSA-N 0 0 512.902 5.437 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000409183809 1070603148 /nfs/dbraw/zinc/60/31/48/1070603148.db2.gz SXLGPMSUGGCPSW-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409205899 1070632657 /nfs/dbraw/zinc/63/26/57/1070632657.db2.gz QOHWTVQOOZYSKR-SSDVNMTOSA-N 0 0 602.850 6.265 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)Nc1ccccc1Cl ZINC000409229972 1070646998 /nfs/dbraw/zinc/64/69/98/1070646998.db2.gz WHKBOUSGFNKTHS-ZMOGYAJESA-N 0 0 546.992 5.926 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409233686 1070659161 /nfs/dbraw/zinc/65/91/61/1070659161.db2.gz WAMWFBQHYAEWMX-RGVLZGJSSA-N 0 0 563.191 6.340 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409234657 1070660620 /nfs/dbraw/zinc/66/06/20/1070660620.db2.gz ONEHDAZUSUTHCP-WSDLNYQXSA-N 0 0 556.800 5.991 40 5 KKBBRN CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409269833 1070704693 /nfs/dbraw/zinc/70/46/93/1070704693.db2.gz FIODCWNXXOZLNN-VIZOYTHASA-N 0 0 503.252 5.835 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409269784 1070704701 /nfs/dbraw/zinc/70/47/01/1070704701.db2.gz DSLKYHCLAQGCDP-KEBDBYFISA-N 0 0 548.360 5.845 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409273803 1070713567 /nfs/dbraw/zinc/71/35/67/1070713567.db2.gz SVRFBYXTFRWQOJ-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000409274041 1070714145 /nfs/dbraw/zinc/71/41/45/1070714145.db2.gz UGWLNXHHFSKCIO-WGARJPEWSA-N 0 0 540.601 5.890 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408877840 1070805229 /nfs/dbraw/zinc/80/52/29/1070805229.db2.gz UVEDZUQDCVHQDH-PRLWALMFSA-N 0 0 644.503 5.882 40 5 KKBBRN CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)sc2c1 ZINC000409333348 1070838103 /nfs/dbraw/zinc/83/81/03/1070838103.db2.gz GOEPQMRDAWZFMR-UHFFFAOYSA-N 0 0 611.752 6.675 40 5 KKBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000409331365 1070834601 /nfs/dbraw/zinc/83/46/01/1070834601.db2.gz BUPNEBXVQFREBL-UHFFFAOYSA-N 0 0 501.619 5.398 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000409334540 1070834931 /nfs/dbraw/zinc/83/49/31/1070834931.db2.gz STVIQBADPOZYRD-MHZLTWQESA-N 0 0 547.633 6.300 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409352799 1070871160 /nfs/dbraw/zinc/87/11/60/1070871160.db2.gz DUKOPMPYUGKHBG-LCQSEVKBSA-N 0 0 648.535 5.356 40 5 KKBBRN COc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000409364343 1070880984 /nfs/dbraw/zinc/88/09/84/1070880984.db2.gz PBKOSHVWBXLHGT-UHFFFAOYSA-N 0 0 504.280 5.039 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409360518 1070888162 /nfs/dbraw/zinc/88/81/62/1070888162.db2.gz PYKKCOUBQBLWRQ-LLVKDONJSA-N 0 0 557.847 5.388 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2nc3ccccc3n12 ZINC000408902554 1070909844 /nfs/dbraw/zinc/90/98/44/1070909844.db2.gz JVSCTDDKPOETAI-JAIQZWGSSA-N 0 0 634.249 5.311 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 ZINC000409398361 1070911641 /nfs/dbraw/zinc/91/16/41/1070911641.db2.gz DGWFOHYBJSQAJP-GRSHGNNSSA-N 0 0 635.221 5.171 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917166 1070992431 /nfs/dbraw/zinc/99/24/31/1070992431.db2.gz OCVPZENEMJTBCP-AFUMVMLFSA-N 0 0 565.434 7.870 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408917254 1070993569 /nfs/dbraw/zinc/99/35/69/1070993569.db2.gz PWHKQAQOKIPNBA-JVWAILMASA-N 0 0 666.493 7.567 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916886 1070995493 /nfs/dbraw/zinc/99/54/93/1070995493.db2.gz HZUMYWQKNJWCCX-CIAFOILYSA-N 0 0 559.825 6.826 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916642 1070999510 /nfs/dbraw/zinc/99/95/10/1070999510.db2.gz FMNHKHKOVYDRAU-SRZZPIQSSA-N 0 0 560.371 6.625 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408916359 1071001826 /nfs/dbraw/zinc/00/18/26/1071001826.db2.gz WPPZRHIAZSCDPE-OINPTKSXSA-N 0 0 658.157 6.138 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408915582 1071007341 /nfs/dbraw/zinc/00/73/41/1071007341.db2.gz QDBIHTZETGFOOI-FUAQWRKOSA-N 0 0 726.207 6.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408913266 1071019287 /nfs/dbraw/zinc/01/92/87/1071019287.db2.gz SKZSEQFUZWDGDE-SAGCDJCOSA-N 0 0 666.756 5.425 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408910609 1071067169 /nfs/dbraw/zinc/06/71/69/1071067169.db2.gz ISFGTAWJBWAKIB-KUSDHMTMSA-N 0 0 656.116 6.156 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408927261 1071069748 /nfs/dbraw/zinc/06/97/48/1071069748.db2.gz UTPJLXVYIYHXCM-NLRVBDNBSA-N 0 0 578.444 6.337 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1Cl ZINC000409062110 1071068833 /nfs/dbraw/zinc/06/88/33/1071068833.db2.gz NSCMKZZHWYTBOX-JAIQZWGSSA-N 0 0 624.694 7.593 40 5 KKBBRN CC(C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409062332 1071068930 /nfs/dbraw/zinc/06/89/30/1071068930.db2.gz RZZRZTRKJGGCOF-MFOYZWKCSA-N 0 0 556.232 6.144 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408923876 1071085249 /nfs/dbraw/zinc/08/52/49/1071085249.db2.gz HPJKWGIUDXHJML-UHFFFAOYSA-N 0 0 534.299 5.974 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408924438 1071081311 /nfs/dbraw/zinc/08/13/11/1071081311.db2.gz IWRUYSZNAPYOTB-FVUNBJOLSA-N 0 0 636.730 5.415 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408921518 1071094624 /nfs/dbraw/zinc/09/46/24/1071094624.db2.gz CNBOYGPHUQDCGO-UHAPOFRNSA-N 0 0 666.756 5.425 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408920702 1071100778 /nfs/dbraw/zinc/10/07/78/1071100778.db2.gz KPNQZWBCTPJWLI-FIXXDFOUSA-N 0 0 731.625 5.798 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408920562 1071103573 /nfs/dbraw/zinc/10/35/73/1071103573.db2.gz KCCTWYYHEVJBRK-HRIDGTDGSA-N 0 0 615.733 5.396 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408919720 1071115682 /nfs/dbraw/zinc/11/56/82/1071115682.db2.gz BROPRXQVEAFOCN-QARYAGPDSA-N 0 0 610.113 5.730 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408919652 1071114809 /nfs/dbraw/zinc/11/48/09/1071114809.db2.gz ZRYYCEJSDRWSEJ-WSDLNYQXSA-N 0 0 606.825 6.668 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408919429 1071120672 /nfs/dbraw/zinc/12/06/72/1071120672.db2.gz XSNSWEAVLYOAIR-ACHQHTMYSA-N 0 0 649.725 5.837 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408918592 1071134083 /nfs/dbraw/zinc/13/40/83/1071134083.db2.gz MIXSXSWCGBIHOX-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918368 1071134865 /nfs/dbraw/zinc/13/48/65/1071134865.db2.gz JPBRNHHXBKXWNW-ZRDDSIGQSA-N 0 0 509.743 5.104 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000408917815 1071143772 /nfs/dbraw/zinc/14/37/72/1071143772.db2.gz BNIBNCCAKMXECP-FPMFRTRJSA-N 0 0 582.248 5.621 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000408930852 1071158154 /nfs/dbraw/zinc/15/81/54/1071158154.db2.gz CVYXZQCHVWQMFM-UUYOSTAYSA-N 0 0 534.506 5.279 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000408927970 1071188808 /nfs/dbraw/zinc/18/88/08/1071188808.db2.gz ZBQUCDSLUMVBMY-PKYOQBLNSA-N 0 0 615.733 5.396 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408927761 1071194444 /nfs/dbraw/zinc/19/44/44/1071194444.db2.gz XSLQEUVGQAGXQJ-LMSRTUJASA-N 0 0 575.668 5.077 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198318305 1071207042 /nfs/dbraw/zinc/20/70/42/1071207042.db2.gz AZUUZXFFZJMIQK-UHFFFAOYSA-N 0 0 695.559 5.554 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408934798 1071232236 /nfs/dbraw/zinc/23/22/36/1071232236.db2.gz CZYLNVVBDKTUKJ-ZFWDJNJRSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408933883 1071238298 /nfs/dbraw/zinc/23/82/98/1071238298.db2.gz AUVGQCGZOMQVDB-SJXDCSIJSA-N 0 0 648.137 5.726 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408945053 1071280459 /nfs/dbraw/zinc/28/04/59/1071280459.db2.gz WMGRMUIKAXUVFE-YVBHXKDBSA-N 0 0 601.681 5.371 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408943368 1071293486 /nfs/dbraw/zinc/29/34/86/1071293486.db2.gz SGARJMOWKVHXSL-IKHSWBDUSA-N 0 0 663.752 6.226 40 5 KKBBRN O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103520551 1071307969 /nfs/dbraw/zinc/30/79/69/1071307969.db2.gz VOJWIUIYLOAAIG-PBNWVGGGSA-N 0 0 610.453 6.883 40 5 KKBBRN O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103524234 1071308279 /nfs/dbraw/zinc/30/82/79/1071308279.db2.gz GYBZXUJTJFNGAH-PBNWVGGGSA-N 0 0 610.453 6.883 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941947 1071305292 /nfs/dbraw/zinc/30/52/92/1071305292.db2.gz QZTOZHXBRSYMAL-MFCBUNOESA-N 0 0 608.072 5.407 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408940819 1071313938 /nfs/dbraw/zinc/31/39/38/1071313938.db2.gz CKCHNYQMXJFSDL-BUDNTJSZSA-N 0 0 757.457 6.208 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc6ccccc65)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408939865 1071321454 /nfs/dbraw/zinc/32/14/54/1071321454.db2.gz IOVZOIKXORXYJL-YXHKLRKPSA-N 0 0 744.620 6.218 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408938721 1071328974 /nfs/dbraw/zinc/32/89/74/1071328974.db2.gz ABJFBHNBKCROCJ-JLKMOJGBSA-N 0 0 641.105 6.094 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408952821 1071343413 /nfs/dbraw/zinc/34/34/13/1071343413.db2.gz VYGZUFDVBOWLOA-QARYAGPDSA-N 0 0 638.496 5.126 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(F)cc1 ZINC000408687231 1071346148 /nfs/dbraw/zinc/34/61/48/1071346148.db2.gz TYGQCXIIMJNLFR-UHFFFAOYSA-N 0 0 762.962 6.320 40 5 KKBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c1 ZINC000408686945 1071347290 /nfs/dbraw/zinc/34/72/90/1071347290.db2.gz SUCKVJMBWYXTBE-UHFFFAOYSA-N 0 0 774.998 6.190 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1 ZINC000408686534 1071349851 /nfs/dbraw/zinc/34/98/51/1071349851.db2.gz RSAUNQLYVMHNMC-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408685754 1071354568 /nfs/dbraw/zinc/35/45/68/1071354568.db2.gz QGDXDEQXHIZXKJ-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408949872 1071358380 /nfs/dbraw/zinc/35/83/80/1071358380.db2.gz SKMDGYLRXPIPKY-KXXVVDRPSA-N 0 0 694.560 5.065 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685716 1071355382 /nfs/dbraw/zinc/35/53/82/1071355382.db2.gz QBRDEJGGXRLRMA-HCXPYDJZSA-N 0 0 608.448 5.807 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)cc1[N+](=O)[O-] ZINC000408685549 1071356113 /nfs/dbraw/zinc/35/61/13/1071356113.db2.gz QZWUTZPLJDDACV-BYVQZYKMSA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Br)cc1 ZINC000408684265 1071361087 /nfs/dbraw/zinc/36/10/87/1071361087.db2.gz NFEKFQLLMAWROK-UHFFFAOYSA-N 0 0 823.868 6.944 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Br)cc1 ZINC000408683963 1071363024 /nfs/dbraw/zinc/36/30/24/1071363024.db2.gz MOGBONYKBYFKDR-RAWLKHAVSA-N 0 0 636.458 5.490 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947636 1071370238 /nfs/dbraw/zinc/37/02/38/1071370238.db2.gz OBLUVTOQWDMBCN-KFOJKGMOSA-N 0 0 851.517 7.127 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682128 1071371044 /nfs/dbraw/zinc/37/10/44/1071371044.db2.gz IXTCFASPLVJSCX-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408681833 1071372436 /nfs/dbraw/zinc/37/24/36/1071372436.db2.gz JOPUQQUHNDECQI-SFHVURJKSA-N 0 0 563.177 5.011 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408956801 1071375843 /nfs/dbraw/zinc/37/58/43/1071375843.db2.gz ZQSVAOAAVXSQCR-ILLSWNIOSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408953441 1071396285 /nfs/dbraw/zinc/39/62/85/1071396285.db2.gz WJLQZXQNQDRZJD-IMDLGZNOSA-N 0 0 769.583 5.585 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1Cl ZINC000408689805 1071411680 /nfs/dbraw/zinc/41/16/80/1071411680.db2.gz ZDOXTTONBLZCQY-UHFFFAOYSA-N 0 0 813.862 7.488 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 ZINC000408958949 1071438474 /nfs/dbraw/zinc/43/84/74/1071438474.db2.gz XNTXVJNAWUEYSP-RIFKOAFWSA-N 0 0 715.626 6.178 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1Cl ZINC000408712370 1071484987 /nfs/dbraw/zinc/48/49/87/1071484987.db2.gz RQSSLCFEIADBSK-UHFFFAOYSA-N 0 0 528.801 5.774 40 5 KKBBRN COc1ccc(CSc2nc3ccc(N4C(=O)c5c(c(Br)c(Br)c(Br)c5Br)C4=O)cc3s2)cc1[N+](=O)[O-] ZINC000408986834 1071486107 /nfs/dbraw/zinc/48/61/07/1071486107.db2.gz PMYKACAAOQPBNH-UHFFFAOYSA-N 0 0 793.107 8.356 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985902 1071494785 /nfs/dbraw/zinc/49/47/85/1071494785.db2.gz LAZPQJWKCDEXAD-WOSHRIRTSA-N 0 0 578.690 5.512 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408984757 1071505296 /nfs/dbraw/zinc/50/52/96/1071505296.db2.gz JWRUAZOKCFKMNX-JQTKYWOZSA-N 0 0 612.063 5.757 40 5 KKBBRN CCc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000408984806 1071505918 /nfs/dbraw/zinc/50/59/18/1071505918.db2.gz MXZXQNCACQAKAK-UHFFFAOYSA-N 0 0 518.576 5.298 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408984829 1071506289 /nfs/dbraw/zinc/50/62/89/1071506289.db2.gz NBCOGFWHVJBZOH-UHFFFAOYSA-N 0 0 645.191 8.129 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000408720376 1071511960 /nfs/dbraw/zinc/51/19/60/1071511960.db2.gz MIYKCTCLBDPUMK-OSCFFGAZSA-N 0 0 541.003 6.354 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408982371 1071527989 /nfs/dbraw/zinc/52/79/89/1071527989.db2.gz DKAUGXXWCFGWPQ-NXYYLBPMSA-N 0 0 899.501 6.641 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000408980575 1071538812 /nfs/dbraw/zinc/53/88/12/1071538812.db2.gz FSFJBOKURQRFMB-UHFFFAOYSA-N 0 0 714.876 7.306 40 5 KKBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)n1C ZINC000408978688 1071547396 /nfs/dbraw/zinc/54/73/96/1071547396.db2.gz AKTYSTKRRGNAKN-UHFFFAOYSA-N 0 0 635.753 5.682 40 5 KKBBRN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(OCC)cc5)c4cc32)cc1 ZINC000408719188 1071547634 /nfs/dbraw/zinc/54/76/34/1071547634.db2.gz ADLAFUUEXBBNRZ-UHFFFAOYSA-N 0 0 658.758 9.419 40 5 KKBBRN Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5cccc(C)c5)c4cc32)c1 ZINC000408720482 1071543541 /nfs/dbraw/zinc/54/35/41/1071543541.db2.gz QYSWIJTUIIBEHP-UHFFFAOYSA-N 0 0 598.706 9.238 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720472 1071543567 /nfs/dbraw/zinc/54/35/67/1071543567.db2.gz QLFBPYXHPNKIFL-KDXFCVBFSA-N 0 0 520.585 6.009 40 5 KKBBRN CCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCC)c3cc21 ZINC000408720737 1071543629 /nfs/dbraw/zinc/54/36/29/1071543629.db2.gz XTBWTMWLIKKSOJ-UHFFFAOYSA-N 0 0 502.618 6.397 40 5 KKBBRN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@@H](C)c4ccccc4)c3cc21)c1ccccc1 ZINC000408720545 1071544594 /nfs/dbraw/zinc/54/45/94/1071544594.db2.gz UCALUVFLTQBFEV-NSOVKSMOSA-N 0 0 626.760 9.099 40 5 KKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5ccccc5[N+](=O)[O-])c4c3)cc21 ZINC000408720555 1071544607 /nfs/dbraw/zinc/54/46/07/1071544607.db2.gz UHBKAGVIZURMFS-UHFFFAOYSA-N 0 0 736.744 10.105 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000408728788 1071549069 /nfs/dbraw/zinc/54/90/69/1071549069.db2.gz UEWKPOJDRIOYQS-FPMFRTRJSA-N 0 0 503.352 5.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733708 1071550209 /nfs/dbraw/zinc/55/02/09/1071550209.db2.gz OSBGVXHYNCKCNN-KCQXITDRSA-N 0 0 668.522 5.055 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408733502 1071552211 /nfs/dbraw/zinc/55/22/11/1071552211.db2.gz YPLJKYLMYNTFHP-AOLGVVFKSA-N 0 0 590.544 5.007 40 5 KKBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000408736789 1071555166 /nfs/dbraw/zinc/55/51/66/1071555166.db2.gz IAIQDFVUBDFHKY-AREMUKBSSA-N 0 0 558.432 5.855 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994883 1071555888 /nfs/dbraw/zinc/55/58/88/1071555888.db2.gz HMDSWTCHMGUHEM-VZVSMJQGSA-N 0 0 707.830 6.543 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736056 1071558179 /nfs/dbraw/zinc/55/81/79/1071558179.db2.gz CHWIRIWHFCHBNO-UNDLXJOSSA-N 0 0 597.693 5.409 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735842 1071558715 /nfs/dbraw/zinc/55/87/15/1071558715.db2.gz YJKHCUXXINOBPC-IMUCPKNRSA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408993963 1071560936 /nfs/dbraw/zinc/56/09/36/1071560936.db2.gz DXONPJVJOVYEIZ-UBXIJNLVSA-N 0 0 689.790 6.555 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408993961 1071561043 /nfs/dbraw/zinc/56/10/43/1071561043.db2.gz DXONPJVJOVYEIZ-JREUYWDSSA-N 0 0 689.790 6.555 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734691 1071564231 /nfs/dbraw/zinc/56/42/31/1071564231.db2.gz IOTHXAYLCGAEHI-WOSHRIRTSA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734352 1071565386 /nfs/dbraw/zinc/56/53/86/1071565386.db2.gz XEJXULLJFDQECZ-JHUDVDCUSA-N 0 0 720.587 6.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733764 1071570328 /nfs/dbraw/zinc/57/03/28/1071570328.db2.gz QBRHWVXPPSZOEQ-UPWSPCOFSA-N 0 0 694.947 6.642 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733846 1071570870 /nfs/dbraw/zinc/57/08/70/1071570870.db2.gz BALOEBYZEBFNIN-VSQRRKBNSA-N 0 0 687.771 5.482 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733344 1071571346 /nfs/dbraw/zinc/57/13/46/1071571346.db2.gz HADLSLOWEOLNKL-OIUASMPBSA-N 0 0 656.116 6.199 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733181 1071572428 /nfs/dbraw/zinc/57/24/28/1071572428.db2.gz FRWFYNRCZMJVHZ-UHSYMONFSA-N 0 0 665.724 5.863 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408732924 1071575826 /nfs/dbraw/zinc/57/58/26/1071575826.db2.gz BBYWPRLOACTPKF-IZBTWGKQSA-N 0 0 584.437 5.273 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408733099 1071574446 /nfs/dbraw/zinc/57/44/46/1071574446.db2.gz WBWJQNBYRMLQGM-YUJRYHFISA-N 0 0 574.545 5.307 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991994 1071576667 /nfs/dbraw/zinc/57/66/67/1071576667.db2.gz PQGQXACABMIDBH-UHFFFAOYSA-N 0 0 660.202 8.908 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732839 1071576786 /nfs/dbraw/zinc/57/67/86/1071576786.db2.gz UCDOJZRWGZVKHK-UWRMONIRSA-N 0 0 654.528 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732870 1071577282 /nfs/dbraw/zinc/57/72/82/1071577282.db2.gz ABYBHBUBGGVNMR-UPWSPCOFSA-N 0 0 741.947 6.485 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5)n4C)cc3s2)c([N+](=O)[O-])c1 ZINC000408990792 1071586416 /nfs/dbraw/zinc/58/64/16/1071586416.db2.gz WKEABKHAFKZRHC-UHFFFAOYSA-N 0 0 621.726 5.470 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408731117 1071584626 /nfs/dbraw/zinc/58/46/26/1071584626.db2.gz JBABRQLRHGCBIV-GOATXGGQSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000408990737 1071585910 /nfs/dbraw/zinc/58/59/10/1071585910.db2.gz YKBVEGBSRQMEJD-QZVQSRICSA-N 0 0 690.759 5.036 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408730272 1071587440 /nfs/dbraw/zinc/58/74/40/1071587440.db2.gz GRCOSIZCSWCYSB-BPIVLGIGSA-N 0 0 735.815 6.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730391 1071588165 /nfs/dbraw/zinc/58/81/65/1071588165.db2.gz QKHYUCUPWIDMLM-DKOMQPSQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729732 1071590801 /nfs/dbraw/zinc/59/08/01/1071590801.db2.gz IXRDVIZHAKPBBL-TZUCAZQYSA-N 0 0 873.463 6.755 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408729238 1071592658 /nfs/dbraw/zinc/59/26/58/1071592658.db2.gz BKMYERMVYQJTRO-VPHSIRQSSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408989664 1071596134 /nfs/dbraw/zinc/59/61/34/1071596134.db2.gz UXLCLYJCTMOCOC-QZVQSRICSA-N 0 0 682.154 6.085 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408989453 1071596666 /nfs/dbraw/zinc/59/66/66/1071596666.db2.gz HSHIOEIWNIEOFB-BUELQQIUSA-N 0 0 659.764 6.546 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728163 1071597409 /nfs/dbraw/zinc/59/74/09/1071597409.db2.gz IIOWTQLSFZRMEL-LMHXZZLNSA-N 0 0 588.639 5.658 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727631 1071598603 /nfs/dbraw/zinc/59/86/03/1071598603.db2.gz VCGUAQMGKNEQRH-NAIWQIQESA-N 0 0 630.078 5.782 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408987544 1071612029 /nfs/dbraw/zinc/61/20/29/1071612029.db2.gz BGDSIDOZTRSMHE-UHFFFAOYSA-N 0 0 620.137 8.256 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408996645 1071617000 /nfs/dbraw/zinc/61/70/00/1071617000.db2.gz LVLBHOUNLSZLQP-FPWMYLJGSA-N 0 0 708.705 5.562 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409006303 1071626133 /nfs/dbraw/zinc/62/61/33/1071626133.db2.gz IVTURNFGFYKGAH-HAHDFKILSA-N 0 0 539.407 6.215 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757242 1071633775 /nfs/dbraw/zinc/63/37/75/1071633775.db2.gz WXSAZUNWNPOIJF-DDIUQFJASA-N 0 0 823.450 7.015 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 ZINC000408756120 1071639349 /nfs/dbraw/zinc/63/93/49/1071639349.db2.gz HNTWYWMAMCCQLD-UHFFFAOYSA-N 0 0 504.296 5.760 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(N(C)C)cc2)C4=O)ccc1Br ZINC000408756934 1071635309 /nfs/dbraw/zinc/63/53/09/1071635309.db2.gz KOIIQBZAOBVTMU-UHFFFAOYSA-N 0 0 530.378 6.353 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408756956 1071635990 /nfs/dbraw/zinc/63/59/90/1071635990.db2.gz KQVPDPJNCIMKBF-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408756038 1071640380 /nfs/dbraw/zinc/64/03/80/1071640380.db2.gz HDTBJNVDWLWPHC-JLKMOJGBSA-N 0 0 545.620 5.795 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409002125 1071641917 /nfs/dbraw/zinc/64/19/17/1071641917.db2.gz SQHWKIIYQJMFIE-JLHDDXNDSA-N 0 0 532.665 5.722 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755797 1071643262 /nfs/dbraw/zinc/64/32/62/1071643262.db2.gz FSBADJROSMRIFW-HDFSHUSISA-N 0 0 531.593 5.487 40 5 KKBBRN Cc1sc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)nc1-c1ccccc1 ZINC000408755239 1071645509 /nfs/dbraw/zinc/64/55/09/1071645509.db2.gz ZSGZJMVOVYYVFG-QHCPKHFHSA-N 0 0 516.579 5.503 40 5 KKBBRN CCc1ccccc1N1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O ZINC000409001572 1071644529 /nfs/dbraw/zinc/64/45/29/1071644529.db2.gz WOXUTGRFCIURFK-UHFFFAOYSA-N 0 0 544.405 7.234 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)c(C)c3)C2=O)c(C)c1 ZINC000408755164 1071646649 /nfs/dbraw/zinc/64/66/49/1071646649.db2.gz BUGVEVYKARIQJI-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000695 1071648788 /nfs/dbraw/zinc/64/87/88/1071648788.db2.gz ZOEMBZOKWULMDN-ZSJKCPIUSA-N 0 0 622.497 5.346 40 5 KKBBRN CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O ZINC000408999717 1071653658 /nfs/dbraw/zinc/65/36/58/1071653658.db2.gz SDYFKKUVTVMJFW-UHFFFAOYSA-N 0 0 544.405 7.234 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999573 1071654722 /nfs/dbraw/zinc/65/47/22/1071654722.db2.gz LSGZSKYPJIGRRO-OTHIGLTOSA-N 0 0 817.556 8.071 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998289 1071660175 /nfs/dbraw/zinc/66/01/75/1071660175.db2.gz ISHLYJNSTRUZQP-NXYYLBPMSA-N 0 0 899.501 6.641 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998285 1071660227 /nfs/dbraw/zinc/66/02/27/1071660227.db2.gz ISDIESJCLATQOT-GSASKQFNSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408997458 1071663860 /nfs/dbraw/zinc/66/38/60/1071663860.db2.gz GKYWLTXRPIDAIH-PNZYDNNZSA-N 0 0 608.470 5.037 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409016487 1071667815 /nfs/dbraw/zinc/66/78/15/1071667815.db2.gz CTQNQQVXUIMENW-SGEFVQMOSA-N 0 0 664.259 6.218 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1Cl ZINC000408750410 1071674870 /nfs/dbraw/zinc/67/48/70/1071674870.db2.gz MMHARNCBGLOPQE-UHFFFAOYSA-N 0 0 538.994 5.698 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409014781 1071674999 /nfs/dbraw/zinc/67/49/99/1071674999.db2.gz JNBNSUPQGOLNKX-DJKKODMXSA-N 0 0 507.362 5.390 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 ZINC000408750742 1071673827 /nfs/dbraw/zinc/67/38/27/1071673827.db2.gz RENDMRYBEPTNFS-UHFFFAOYSA-N 0 0 605.289 6.822 40 5 KKBBRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408750375 1071677766 /nfs/dbraw/zinc/67/77/66/1071677766.db2.gz MAVOIRXCPXPDLN-UHFFFAOYSA-N 0 0 763.081 8.347 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1C ZINC000408750057 1071679806 /nfs/dbraw/zinc/67/98/06/1071679806.db2.gz KCRQRUCRTVJTOC-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409011404 1071687910 /nfs/dbraw/zinc/68/79/10/1071687910.db2.gz GJUIYZCNDJFSAJ-FYJGNVAPSA-N 0 0 538.354 5.432 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(C2CCCCC2)cc1 ZINC000408748928 1071689312 /nfs/dbraw/zinc/68/93/12/1071689312.db2.gz CSNLOIABBKWNSL-UHFFFAOYSA-N 0 0 557.653 7.028 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409010936 1071689487 /nfs/dbraw/zinc/68/94/87/1071689487.db2.gz GINQACNAWZXIEE-SRZZPIQSSA-N 0 0 603.344 5.019 40 5 KKBBRN O=C(NCc1ccccc1)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408748535 1071690973 /nfs/dbraw/zinc/69/09/73/1071690973.db2.gz DRNNQXYTHLJILG-UHFFFAOYSA-N 0 0 554.653 6.679 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409010644 1071691007 /nfs/dbraw/zinc/69/10/07/1071691007.db2.gz CSDXMNZEHFIJCO-YZSQISJMSA-N 0 0 714.538 5.172 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1Cl ZINC000408748436 1071692604 /nfs/dbraw/zinc/69/26/04/1071692604.db2.gz AHNXSXGHLLAXSO-UHFFFAOYSA-N 0 0 538.994 5.698 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409009743 1071694647 /nfs/dbraw/zinc/69/46/47/1071694647.db2.gz HVORRNJTZKTIOE-PVGUKEHMSA-N 0 0 534.974 5.214 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409009558 1071694683 /nfs/dbraw/zinc/69/46/83/1071694683.db2.gz AXGHIQVEWHULRL-SRZZPIQSSA-N 0 0 516.312 5.713 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408760887 1071695789 /nfs/dbraw/zinc/69/57/89/1071695789.db2.gz AQQQWDGGTRQDNV-UBXIJNLVSA-N 0 0 721.788 5.839 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409007795 1071702674 /nfs/dbraw/zinc/70/26/74/1071702674.db2.gz RPUONNWUZAHMME-HAHDFKILSA-N 0 0 524.982 6.115 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757730 1071709695 /nfs/dbraw/zinc/70/96/95/1071709695.db2.gz PRCVSNSFQBAMKD-OBDCIHEFSA-N 0 0 624.516 6.558 40 5 KKBBRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000409027010 1071705472 /nfs/dbraw/zinc/70/54/72/1071705472.db2.gz PRSYTMINBUZWDY-UHFFFAOYSA-N 0 0 536.009 6.204 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408758374 1071706057 /nfs/dbraw/zinc/70/60/57/1071706057.db2.gz ZAXGIHIBKPKBGZ-FVUNBJOLSA-N 0 0 589.673 6.112 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758209 1071706936 /nfs/dbraw/zinc/70/69/36/1071706936.db2.gz WVWPFWJJJVBRIL-UHAPOFRNSA-N 0 0 681.748 5.012 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408757755 1071710266 /nfs/dbraw/zinc/71/02/66/1071710266.db2.gz QOGAXKIPARGWDK-UHFFFAOYSA-N 0 0 501.336 6.595 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408757903 1071709258 /nfs/dbraw/zinc/70/92/58/1071709258.db2.gz SBPWYWSCBYNQCB-OIUASMPBSA-N 0 0 638.543 6.866 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757649 1071711147 /nfs/dbraw/zinc/71/11/47/1071711147.db2.gz OIBKQOMNIXBNOP-QQMBNGEASA-N 0 0 902.346 7.778 40 5 KKBBRN O=c1/c(=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757337 1071713467 /nfs/dbraw/zinc/71/34/67/1071713467.db2.gz MFIFYYIKOJOQDA-WOSHRIRTSA-N 0 0 700.592 5.757 40 5 KKBBRN CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409021588 1071722730 /nfs/dbraw/zinc/72/27/30/1071722730.db2.gz OQICDUMRKKJDIH-RQZCQDPDSA-N 0 0 511.781 6.034 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408764447 1071728338 /nfs/dbraw/zinc/72/83/38/1071728338.db2.gz ISJILRWYGAABDN-MJASDKGPSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408762124 1071736830 /nfs/dbraw/zinc/73/68/30/1071736830.db2.gz NDGVCTDJMMPHOR-XFPFAXQNSA-N 0 0 707.761 5.449 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000409037055 1071738210 /nfs/dbraw/zinc/73/82/10/1071738210.db2.gz MTLVNBAZFQIAQI-UAMLYEQYSA-N 0 0 692.588 5.837 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037234 1071737310 /nfs/dbraw/zinc/73/73/10/1071737310.db2.gz MGQZAFMHBWKWCK-PNQAETMRSA-N 0 0 766.667 6.243 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409036738 1071739935 /nfs/dbraw/zinc/73/99/35/1071739935.db2.gz LYBAYEYALMFEHL-UQDCTOEPSA-N 0 0 666.550 5.826 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770497 1071742407 /nfs/dbraw/zinc/74/24/07/1071742407.db2.gz YEWKDLDWOOCTQI-BUDNTJSZSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770511 1071742478 /nfs/dbraw/zinc/74/24/78/1071742478.db2.gz YJEDKHWIBZMPOP-JYNXQWRTSA-N 0 0 725.530 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770512 1071742547 /nfs/dbraw/zinc/74/25/47/1071742547.db2.gz YJEDKHWIBZMPOP-RBMXVJLZSA-N 0 0 725.530 5.187 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409035914 1071747496 /nfs/dbraw/zinc/74/74/96/1071747496.db2.gz KNYZOTHVTULZHT-ASZNLBCTSA-N 0 0 725.561 5.289 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000409035759 1071748929 /nfs/dbraw/zinc/74/89/29/1071748929.db2.gz UBFGHBFOAMJLRZ-UQDCTOEPSA-N 0 0 638.098 5.417 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409035613 1071749728 /nfs/dbraw/zinc/74/97/28/1071749728.db2.gz QIVGGJYJRUNYJM-KEPJHFNWSA-N 0 0 680.577 6.135 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409034960 1071754938 /nfs/dbraw/zinc/75/49/38/1071754938.db2.gz OUEADHURCBHIGT-JLKMOJGBSA-N 0 0 592.677 5.018 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)sc2=N1 ZINC000409034829 1071755420 /nfs/dbraw/zinc/75/54/20/1071755420.db2.gz IJDUSDMKSPEQAU-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408774179 1071763401 /nfs/dbraw/zinc/76/34/01/1071763401.db2.gz AUNNSNJLGNHKQJ-MFCBUNOESA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408773918 1071764111 /nfs/dbraw/zinc/76/41/11/1071764111.db2.gz MYIXDGSQKAHFMK-WGJPBTIMSA-N 0 0 791.595 6.175 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408773907 1071765719 /nfs/dbraw/zinc/76/57/19/1071765719.db2.gz TZAGHQLBUZMUJO-RWTNITNYSA-N 0 0 813.433 5.556 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408773752 1071766377 /nfs/dbraw/zinc/76/63/77/1071766377.db2.gz TURGEQVZDXUZDY-QYIOYSLNSA-N 0 0 775.565 6.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033747 1071766736 /nfs/dbraw/zinc/76/67/36/1071766736.db2.gz PJKAINFGAUSPDU-STOXBUQISA-N 0 0 693.778 6.235 40 5 KKBBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408773508 1071766824 /nfs/dbraw/zinc/76/68/24/1071766824.db2.gz RDAVTKDHGXESNW-KLKBWYFJSA-N 0 0 540.041 6.388 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033735 1071766963 /nfs/dbraw/zinc/76/69/63/1071766963.db2.gz PGPUCEHVGWFRPN-FQKMCRJQSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408773602 1071767650 /nfs/dbraw/zinc/76/76/50/1071767650.db2.gz VNINOYRFXDPHRQ-XWRQZSIYSA-N 0 0 682.802 6.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408772399 1071773903 /nfs/dbraw/zinc/77/39/03/1071773903.db2.gz OTGWIURNLJBZBJ-SUAMDDGLSA-N 0 0 759.498 6.532 40 5 KKBBRN CC(=O)Oc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771400 1071781194 /nfs/dbraw/zinc/78/11/94/1071781194.db2.gz HUZFLFNVFILVTA-DJTCXORXSA-N 0 0 775.362 5.361 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc(Br)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771201 1071782198 /nfs/dbraw/zinc/78/21/98/1071782198.db2.gz DVONFUWJPSZQCO-NULZLWRNSA-N 0 0 610.489 6.249 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409031905 1071783564 /nfs/dbraw/zinc/78/35/64/1071783564.db2.gz BIZNNFYFBLEOIK-KEQCBNTKSA-N 0 0 703.398 6.355 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 ZINC000408769539 1071791337 /nfs/dbraw/zinc/79/13/37/1071791337.db2.gz NPXWXFIGOHKSTM-OIUASMPBSA-N 0 0 790.490 6.895 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC(C)C)c(OC)c3)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000409031103 1071791636 /nfs/dbraw/zinc/79/16/36/1071791636.db2.gz GILSZHOUYDDLSS-XDYZZPCYSA-N 0 0 794.677 6.021 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)c1 ZINC000408769033 1071796690 /nfs/dbraw/zinc/79/66/90/1071796690.db2.gz LELONWLUVSUPLH-SELCLYCASA-N 0 0 663.668 5.491 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030737 1071794202 /nfs/dbraw/zinc/79/42/02/1071794202.db2.gz HPJPQNPSSAWKPR-AMQCUNCASA-N 0 0 687.771 5.480 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769034 1071796618 /nfs/dbraw/zinc/79/66/18/1071796618.db2.gz LFEMISGHIMATRS-IIMDPYCFSA-N 0 0 630.509 6.802 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408768738 1071798730 /nfs/dbraw/zinc/79/87/30/1071798730.db2.gz KAGASJINBMCPLX-KFOJKGMOSA-N 0 0 788.620 5.983 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000409030069 1071800922 /nfs/dbraw/zinc/80/09/22/1071800922.db2.gz CAPZYIPIISUIMU-FQKMCRJQSA-N 0 0 608.072 5.407 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409030020 1071801979 /nfs/dbraw/zinc/80/19/79/1071801979.db2.gz BPSZZSTXGJDOPI-KEPJHFNWSA-N 0 0 636.126 6.026 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409037957 1071818840 /nfs/dbraw/zinc/81/88/40/1071818840.db2.gz VBFLDIPVMMIHAO-GVMLUORFSA-N 0 0 668.953 5.701 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408779968 1071826822 /nfs/dbraw/zinc/82/68/22/1071826822.db2.gz OVPQMFSFRIFEET-MXJIGVOESA-N 0 0 779.510 8.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045504 1071824399 /nfs/dbraw/zinc/82/43/99/1071824399.db2.gz PSWUBRRPCOGGKN-FLGOMVIPSA-N 0 0 810.676 5.397 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408778633 1071835361 /nfs/dbraw/zinc/83/53/61/1071835361.db2.gz JDZSVYRKTBUGMX-FUAQWRKOSA-N 0 0 679.726 5.961 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045118 1071843317 /nfs/dbraw/zinc/84/33/17/1071843317.db2.gz HSFXZMNBKFGMEC-QPJBPQEWSA-N 0 0 608.072 5.409 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408786909 1071846045 /nfs/dbraw/zinc/84/60/45/1071846045.db2.gz XHIAJAWKAXQOFC-NXYYLBPMSA-N 0 0 696.669 5.692 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)S2)cc1 ZINC000408786982 1071846546 /nfs/dbraw/zinc/84/65/46/1071846546.db2.gz ZBUCJFVCKGJNCF-HBMWKUFKSA-N 0 0 572.690 7.882 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408786954 1071846551 /nfs/dbraw/zinc/84/65/51/1071846551.db2.gz YNVIEVFJZWGATC-IQPMGOHCSA-N 0 0 724.235 7.208 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785826 1071854926 /nfs/dbraw/zinc/85/49/26/1071854926.db2.gz ZSJXBTIANSVWSI-KUSDHMTMSA-N 0 0 649.656 5.202 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408784596 1071862774 /nfs/dbraw/zinc/86/27/74/1071862774.db2.gz VNPFBISWHDEICZ-VCLSCOGJSA-N 0 0 911.556 7.755 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409043204 1071861395 /nfs/dbraw/zinc/86/13/95/1071861395.db2.gz YEDHOIFRCXDGTC-FQKMCRJQSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(C)C2=S)cc1 ZINC000409043242 1071862020 /nfs/dbraw/zinc/86/20/20/1071862020.db2.gz DLCKLZMKRMLYEK-HAHDFKILSA-N 0 0 568.449 5.939 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042887 1071864341 /nfs/dbraw/zinc/86/43/41/1071864341.db2.gz DIFURXKUOBXSAM-PGUFECHJSA-N 0 0 939.519 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041340 1071881868 /nfs/dbraw/zinc/88/18/68/1071881868.db2.gz ZWZDRSMOACTTQB-FLGOMVIPSA-N 0 0 857.676 5.239 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409041273 1071881155 /nfs/dbraw/zinc/88/11/55/1071881155.db2.gz UKHAIVLSUXYDIM-PYCBVSLESA-N 0 0 613.692 5.073 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409041269 1071881234 /nfs/dbraw/zinc/88/12/34/1071881234.db2.gz UKAIWPVNHDAOHV-SELCLYCASA-N 0 0 722.614 5.845 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040838 1071886362 /nfs/dbraw/zinc/88/63/62/1071886362.db2.gz IKIPHCOBCRORSS-GWRYVSOYSA-N 0 0 740.604 5.983 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040041 1071894737 /nfs/dbraw/zinc/89/47/37/1071894737.db2.gz XMLOVKSAXFNCPQ-OCDQFKQQSA-N 0 0 708.189 5.743 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409038877 1071905310 /nfs/dbraw/zinc/90/53/10/1071905310.db2.gz FUDNVUYVDAUBDJ-ASZNLBCTSA-N 0 0 678.561 5.447 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)sc2=N1 ZINC000409038913 1071903078 /nfs/dbraw/zinc/90/30/78/1071903078.db2.gz FWJSYZULFYKDPQ-LCQSEVKBSA-N 0 0 638.098 5.417 40 5 KKBBRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408804683 1071909278 /nfs/dbraw/zinc/90/92/78/1071909278.db2.gz GMXTYUCJWAHBFD-VUDRCFCPSA-N 0 0 565.719 7.960 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409050650 1071911542 /nfs/dbraw/zinc/91/15/42/1071911542.db2.gz YDCSZYQXMDUSMT-YNMQQHPQSA-N 0 0 634.110 5.338 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409054837 1071931064 /nfs/dbraw/zinc/93/10/64/1071931064.db2.gz OBRQNLMBZNDHIN-OYKKKHCWSA-N 0 0 783.382 6.093 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053745 1071938234 /nfs/dbraw/zinc/93/82/34/1071938234.db2.gz PCAYWBHKYMTQTI-UCQKPKSFSA-N 0 0 573.396 6.191 40 5 KKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1I ZINC000409051017 1071953024 /nfs/dbraw/zinc/95/30/24/1071953024.db2.gz GUAQZUOECXJTIB-UHFFFAOYSA-N 0 0 545.333 6.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048423 1071970993 /nfs/dbraw/zinc/97/09/93/1071970993.db2.gz OMHAROOBMYIFDZ-FLGOMVIPSA-N 0 0 810.676 5.397 40 5 KKBBRN O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409057983 1071990083 /nfs/dbraw/zinc/99/00/83/1071990083.db2.gz QUHJLBLHXQWSCV-UHFFFAOYSA-N 0 0 528.801 5.385 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409064169 1072016543 /nfs/dbraw/zinc/01/65/43/1072016543.db2.gz CDYBZIHHAKJJPR-CIAFOILYSA-N 0 0 573.318 5.010 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccccc1F ZINC000409073437 1072075744 /nfs/dbraw/zinc/07/57/44/1072075744.db2.gz NBIOYVKKUOODOA-SRZZPIQSSA-N 0 0 516.312 5.713 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409067954 1072114032 /nfs/dbraw/zinc/11/40/32/1072114032.db2.gz DZMDLYDMZQTZTR-WSDLNYQXSA-N 0 0 617.371 5.409 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080772 1072121061 /nfs/dbraw/zinc/12/10/61/1072121061.db2.gz ODHLMSVBMURVMK-PRLWALMFSA-N 0 0 680.602 5.937 40 5 KKBBRN O=C(Nc1ccc(I)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409080484 1072123801 /nfs/dbraw/zinc/12/38/01/1072123801.db2.gz ICTDCJLJXXBPCE-UHFFFAOYSA-N 0 0 571.374 7.334 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409079524 1072132791 /nfs/dbraw/zinc/13/27/91/1072132791.db2.gz BPBJEGBMWQZPFM-ITIZVALFSA-N 0 0 658.914 5.391 40 5 KKBBRN O=C1N/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1C1CCCCC1 ZINC000409087129 1072158682 /nfs/dbraw/zinc/15/86/82/1072158682.db2.gz ARTZCJCKJZTOKO-MOSHPQCFSA-N 0 0 500.349 5.162 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409077496 1072154850 /nfs/dbraw/zinc/15/48/50/1072154850.db2.gz FQIWZMZUAZAJBV-XDYZZPCYSA-N 0 0 714.594 6.210 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409086060 1072169254 /nfs/dbraw/zinc/16/92/54/1072169254.db2.gz UMXHASSDNILHCO-GSTVVXAASA-N 0 0 711.594 6.132 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409085720 1072175428 /nfs/dbraw/zinc/17/54/28/1072175428.db2.gz CVKMQJLGOHXOSV-NPNXEGEYSA-N 0 0 655.736 5.794 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000409084390 1072190790 /nfs/dbraw/zinc/19/07/90/1072190790.db2.gz BMJWHCYOCSVEMG-JLHDDXNDSA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082806 1072208628 /nfs/dbraw/zinc/20/86/28/1072208628.db2.gz SXLLINRXNQKBGX-GWRYVSOYSA-N 0 0 708.587 5.455 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)sc2=N1 ZINC000409082319 1072212920 /nfs/dbraw/zinc/21/29/20/1072212920.db2.gz IXLDMQIXZSZMFY-LXYLXTGBSA-N 0 0 821.431 5.883 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000409096958 1072231043 /nfs/dbraw/zinc/23/10/43/1072231043.db2.gz FKPPWHDOISDIQA-WSDLNYQXSA-N 0 0 644.276 5.539 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096844 1072232326 /nfs/dbraw/zinc/23/23/26/1072232326.db2.gz GTQXSZXPTLQMNE-OXDPQRGISA-N 0 0 657.148 6.087 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095663 1072239648 /nfs/dbraw/zinc/23/96/48/1072239648.db2.gz IEYMZGGRGZYOAJ-NBQDTTAVSA-N 0 0 640.165 5.668 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095349 1072241023 /nfs/dbraw/zinc/24/10/23/1072241023.db2.gz HOXTZMWZLHBRPY-GTECVEHGSA-N 0 0 706.821 6.151 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094740 1072244374 /nfs/dbraw/zinc/24/43/74/1072244374.db2.gz FWWPFQGDTCYAMI-GEYGMGCISA-N 0 0 665.772 5.032 40 5 KKBBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)NC(=S)N1C1CCCCC1 ZINC000409093156 1072256428 /nfs/dbraw/zinc/25/64/28/1072256428.db2.gz YMDCCWAXFOYYRS-MOSHPQCFSA-N 0 0 516.417 5.327 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2c(Cl)cccc2Cl)cc1 ZINC000409325633 1072257010 /nfs/dbraw/zinc/25/70/10/1072257010.db2.gz YZMHKBJCVTWYHU-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409325170 1072260216 /nfs/dbraw/zinc/26/02/16/1072260216.db2.gz XIHCUGRGGABKIA-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000409091237 1072273258 /nfs/dbraw/zinc/27/32/58/1072273258.db2.gz RXHUOOJXMMJFRB-PYCBVSLESA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409090748 1072277407 /nfs/dbraw/zinc/27/74/07/1072277407.db2.gz PYRKTLJNEATVGQ-SAGCDJCOSA-N 0 0 775.621 6.442 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409322926 1072278882 /nfs/dbraw/zinc/27/88/82/1072278882.db2.gz YRCBTKIINHLZFL-UHFFFAOYSA-N 0 0 552.834 5.149 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409090554 1072281030 /nfs/dbraw/zinc/28/10/30/1072281030.db2.gz REBJJCRFRDYCDQ-FUAQWRKOSA-N 0 0 678.836 6.633 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089758 1072286714 /nfs/dbraw/zinc/28/67/14/1072286714.db2.gz JWLHXBHGPNISDN-ZCWBPALNSA-N 0 0 682.549 5.445 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 ZINC000409088402 1072297641 /nfs/dbraw/zinc/29/76/41/1072297641.db2.gz JDMAGHNCYSYQRG-YCBDPUBJSA-N 0 0 743.845 7.915 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000409100316 1072321072 /nfs/dbraw/zinc/32/10/72/1072321072.db2.gz UIXGDLFYTLSFBZ-MFKUBSTISA-N 0 0 612.060 6.300 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409099941 1072322427 /nfs/dbraw/zinc/32/24/27/1072322427.db2.gz RYDSDCJJDJQALJ-RQZCQDPDSA-N 0 0 510.846 5.055 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409317565 1072327618 /nfs/dbraw/zinc/32/76/18/1072327618.db2.gz VLTJMCPSRRGURS-UHFFFAOYSA-N 0 0 542.828 5.693 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1 ZINC000409099154 1072327743 /nfs/dbraw/zinc/32/77/43/1072327743.db2.gz JUTFOGAKTJCRNI-QGMBQPNBSA-N 0 0 515.309 5.001 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409098196 1072332787 /nfs/dbraw/zinc/33/27/87/1072332787.db2.gz KDPGDBAVILWEHV-KEBDBYFISA-N 0 0 514.321 5.587 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097603 1072336072 /nfs/dbraw/zinc/33/60/72/1072336072.db2.gz MPFPJYPAFLICTQ-CFEDROAVSA-N 0 0 667.769 5.590 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105725 1072348638 /nfs/dbraw/zinc/34/86/38/1072348638.db2.gz LSMZBHGGMXAWKT-SRZZPIQSSA-N 0 0 603.344 5.019 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104365 1072355073 /nfs/dbraw/zinc/35/50/73/1072355073.db2.gz YHUODQBRXLGLMW-MFISQUFLSA-N 0 0 659.790 5.565 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102694 1072365645 /nfs/dbraw/zinc/36/56/45/1072365645.db2.gz SZDHKPGVZHVPBD-GARKAJJMSA-N 0 0 639.778 5.164 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409103790 1072358823 /nfs/dbraw/zinc/35/88/23/1072358823.db2.gz YWKMHEUMUFFXJM-KMBIYUNPSA-N 0 0 611.507 5.579 40 5 KKBBRN CCOc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409117004 1072372281 /nfs/dbraw/zinc/37/22/81/1072372281.db2.gz VZXVJBRWJUVQIP-UHFFFAOYSA-N 0 0 548.377 6.188 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409331873 1072367013 /nfs/dbraw/zinc/36/70/13/1072367013.db2.gz PCFCMEMQYCRRNW-FOKLQQMPSA-N 0 0 724.327 6.225 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409330400 1072377601 /nfs/dbraw/zinc/37/76/01/1072377601.db2.gz LZEDJIZNFPDCBK-FMCGGJTJSA-N 0 0 662.496 5.117 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)O1 ZINC000409114307 1072381929 /nfs/dbraw/zinc/38/19/29/1072381929.db2.gz GQQWOTWDXJRSRN-DEOSSOPVSA-N 0 0 579.403 6.002 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409329917 1072380946 /nfs/dbraw/zinc/38/09/46/1072380946.db2.gz HZRLKALIGUPPLW-NHDPSOOVSA-N 0 0 603.394 5.751 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 ZINC000409113367 1072384719 /nfs/dbraw/zinc/38/47/19/1072384719.db2.gz HOBNSXHPAIDJPG-ZVBGSRNCSA-N 0 0 562.387 6.235 40 5 KKBBRN CCOc1cc(CNc2ccc(OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113051 1072387461 /nfs/dbraw/zinc/38/74/61/1072387461.db2.gz HUHIXGCVPMGUMG-UHFFFAOYSA-N 0 0 534.350 5.798 40 5 KKBBRN CC(C)CNC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409109379 1072400372 /nfs/dbraw/zinc/40/03/72/1072400372.db2.gz CNLSCRORQJHJNC-XIFFEERXSA-N 0 0 578.669 6.107 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409108539 1072407396 /nfs/dbraw/zinc/40/73/96/1072407396.db2.gz VCRFKMAAZOKBIF-PZMHTZOMSA-N 0 0 753.881 7.154 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409336832 1072408112 /nfs/dbraw/zinc/40/81/12/1072408112.db2.gz WKHMXINTAXMXII-UPWSPCOFSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409347111 1072409216 /nfs/dbraw/zinc/40/92/16/1072409216.db2.gz MCAALULNMCCWQS-MIUGUJGPSA-N 0 0 739.588 5.597 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409107671 1072412397 /nfs/dbraw/zinc/41/23/97/1072412397.db2.gz SXYLMGXHYHQRFC-WSDLNYQXSA-N 0 0 644.276 5.539 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107574 1072413372 /nfs/dbraw/zinc/41/33/72/1072413372.db2.gz WWKOZKNNRHGPPD-SVXDAGRPSA-N 0 0 622.703 5.434 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409346114 1072417462 /nfs/dbraw/zinc/41/74/62/1072417462.db2.gz LCHSGYIOSDVTRC-FQEVSTJZSA-N 0 0 565.483 5.761 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409345897 1072420802 /nfs/dbraw/zinc/42/08/02/1072420802.db2.gz LUHOZVQDZJUMCG-VULFUBBASA-N 0 0 561.616 5.981 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409121845 1072423902 /nfs/dbraw/zinc/42/39/02/1072423902.db2.gz YFNUEUAQUUJSLM-CJIXEESDSA-N 0 0 726.631 5.213 40 5 KKBBRN COc1cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409121252 1072426007 /nfs/dbraw/zinc/42/60/07/1072426007.db2.gz UDAFSKYKFYHYTO-XMMPIXPASA-N 0 0 609.429 6.010 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)O1 ZINC000409121310 1072426405 /nfs/dbraw/zinc/42/64/05/1072426405.db2.gz ZAVZNHUGKZFTHW-QHCPKHFHSA-N 0 0 752.299 6.449 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)O1 ZINC000409121306 1072426450 /nfs/dbraw/zinc/42/64/50/1072426450.db2.gz ZAVZNHUGKZFTHW-HSZRJFAPSA-N 0 0 752.299 6.449 40 5 KKBBRN CC(C)(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409120298 1072431069 /nfs/dbraw/zinc/43/10/69/1072431069.db2.gz WFHZVQJCJVXVCJ-SSEXGKCCSA-N 0 0 505.618 7.254 40 5 KKBBRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119779 1072434551 /nfs/dbraw/zinc/43/45/51/1072434551.db2.gz QIBXQHHRKUCTKD-UUYOSTAYSA-N 0 0 584.410 6.330 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000409118499 1072440824 /nfs/dbraw/zinc/44/08/24/1072440824.db2.gz QPHULRRTFLANBP-MHZLTWQESA-N 0 0 528.406 6.719 40 5 KKBBRN Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409117610 1072444248 /nfs/dbraw/zinc/44/42/48/1072444248.db2.gz OFRRQIHHIQKTFT-UHFFFAOYSA-N 0 0 540.639 7.273 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 ZINC000409342715 1072448043 /nfs/dbraw/zinc/44/80/43/1072448043.db2.gz GCVKAGADDODSHE-XKZIYDEJSA-N 0 0 615.405 5.453 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 ZINC000409125678 1072457720 /nfs/dbraw/zinc/45/77/20/1072457720.db2.gz DSJLHRPREUYQMY-MHZLTWQESA-N 0 0 528.952 6.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341174 1072460442 /nfs/dbraw/zinc/46/04/42/1072460442.db2.gz DDOBSVSKVPBAAZ-JBDHCHCMSA-N 0 0 725.561 5.207 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409339376 1072475387 /nfs/dbraw/zinc/47/53/87/1072475387.db2.gz UQUIWKRHZTWDKD-SSDVNMTOSA-N 0 0 652.401 6.852 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(I)cc1 ZINC000409338791 1072480835 /nfs/dbraw/zinc/48/08/35/1072480835.db2.gz BAWBFVUSFPXOQM-LPYMAVHISA-N 0 0 615.405 5.453 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338174 1072488835 /nfs/dbraw/zinc/48/88/35/1072488835.db2.gz FGJRHCOYEHFIJX-FSJBWODESA-N 0 0 643.428 6.132 40 5 KKBBRN CCc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409134281 1072492764 /nfs/dbraw/zinc/49/27/64/1072492764.db2.gz ONSBGSRDJCTUDD-UHFFFAOYSA-N 0 0 520.221 6.873 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409134209 1072494572 /nfs/dbraw/zinc/49/45/72/1072494572.db2.gz OBUSONWZMSMVPL-HZHRSRAPSA-N 0 0 632.330 7.368 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000409337379 1072495682 /nfs/dbraw/zinc/49/56/82/1072495682.db2.gz ZVHSUPOWKRFYON-OUEGXDDWSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cccc(Br)c1 ZINC000409337401 1072495690 /nfs/dbraw/zinc/49/56/90/1072495690.db2.gz TWMOMEYSQFDXEZ-FQEVSTJZSA-N 0 0 500.374 5.653 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409356676 1072501203 /nfs/dbraw/zinc/50/12/03/1072501203.db2.gz HADDJRDJZJRNEE-OAQYLSRUSA-N 0 0 579.510 6.069 40 5 KKBBRN CC(C)Oc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409133056 1072502026 /nfs/dbraw/zinc/50/20/26/1072502026.db2.gz ZEXFWUUEERBGTE-PMERELPUSA-N 0 0 507.590 6.743 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409131763 1072507213 /nfs/dbraw/zinc/50/72/13/1072507213.db2.gz JSSCWMMEFXNWBQ-LFVJCYFKSA-N 0 0 583.460 6.614 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355237 1072511234 /nfs/dbraw/zinc/51/12/34/1072511234.db2.gz JSNBENVQZVOVNL-IPAKXIGBSA-N 0 0 771.484 6.518 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409131067 1072511553 /nfs/dbraw/zinc/51/15/53/1072511553.db2.gz LQHFLGDWUHMSNN-LFVJCYFKSA-N 0 0 539.009 6.505 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1Br ZINC000409352788 1072526945 /nfs/dbraw/zinc/52/69/45/1072526945.db2.gz ZHGNYGGTOJIZKN-OEAKJJBVSA-N 0 0 517.404 6.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409144715 1072533278 /nfs/dbraw/zinc/53/32/78/1072533278.db2.gz PMJLNFAGFRJMBA-PQNXSAFSSA-N 0 0 709.806 5.419 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409144711 1072533442 /nfs/dbraw/zinc/53/34/42/1072533442.db2.gz PMJLNFAGFRJMBA-DJPQNNMESA-N 0 0 709.806 5.419 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCCc1ccccc1 ZINC000409144110 1072537118 /nfs/dbraw/zinc/53/71/18/1072537118.db2.gz DOCJVBIKTQLIII-LFVJCYFKSA-N 0 0 600.434 6.448 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409142897 1072543953 /nfs/dbraw/zinc/54/39/53/1072543953.db2.gz DYWIAMHZQYJXQK-AHNSQEAUSA-N 0 0 684.199 6.055 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409142703 1072547237 /nfs/dbraw/zinc/54/72/37/1072547237.db2.gz CVPODZYTDKVAGR-WGJPBTIMSA-N 0 0 694.839 5.732 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409142063 1072550112 /nfs/dbraw/zinc/55/01/12/1072550112.db2.gz AUQBRGQJVUCCCD-OEAKJJBVSA-N 0 0 613.446 5.129 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409141742 1072551424 /nfs/dbraw/zinc/55/14/24/1072551424.db2.gz JXCZEHHTIMRVJP-NRFANRHFSA-N 0 0 575.489 5.135 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(I)cc1 ZINC000409348938 1072553685 /nfs/dbraw/zinc/55/36/85/1072553685.db2.gz UCEULEQOIIGNNT-VXLYETTFSA-N 0 0 609.785 5.788 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140857 1072556366 /nfs/dbraw/zinc/55/63/66/1072556366.db2.gz GINBXFNDOSQTRZ-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN CCCCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409140442 1072559671 /nfs/dbraw/zinc/55/96/71/1072559671.db2.gz FGHNPYCHUNRLTQ-HKBQPEDESA-N 0 0 521.617 7.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140010 1072561977 /nfs/dbraw/zinc/56/19/77/1072561977.db2.gz HGUWJBDKLOVBQF-ZDGAQAAHSA-N 0 0 597.571 5.294 40 5 KKBBRN COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409139148 1072566478 /nfs/dbraw/zinc/56/64/78/1072566478.db2.gz AJBZRZAGELYQRQ-LICLKQGHSA-N 0 0 527.780 5.272 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137921 1072573007 /nfs/dbraw/zinc/57/30/07/1072573007.db2.gz YOLWNFAZDQJGKV-QFIPXVFZSA-N 0 0 589.516 5.443 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137918 1072573107 /nfs/dbraw/zinc/57/31/07/1072573107.db2.gz YOLWNFAZDQJGKV-JOCHJYFZSA-N 0 0 589.516 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364104 1072586351 /nfs/dbraw/zinc/58/63/51/1072586351.db2.gz LIRQYXATDOWJMJ-CDWRSTBESA-N 0 0 661.567 6.325 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409145376 1072587512 /nfs/dbraw/zinc/58/75/12/1072587512.db2.gz ODSWORKITZWYOY-OVVQPSECSA-N 0 0 523.614 5.505 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409156806 1072593823 /nfs/dbraw/zinc/59/38/23/1072593823.db2.gz SUHQNXXVVXSOEW-UFFVCSGVSA-N 0 0 584.950 5.632 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409156592 1072594296 /nfs/dbraw/zinc/59/42/96/1072594296.db2.gz KPYHXEPGFKVKTQ-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000409156308 1072595194 /nfs/dbraw/zinc/59/51/94/1072595194.db2.gz FDQVCZMWQZYYQU-QFEZKATASA-N 0 0 526.574 5.581 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409156407 1072595543 /nfs/dbraw/zinc/59/55/43/1072595543.db2.gz ODHCWHYBKWLADR-AFUMVMLFSA-N 0 0 608.585 5.768 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl ZINC000409155206 1072601822 /nfs/dbraw/zinc/60/18/22/1072601822.db2.gz CNPSIIJWBOOING-VULFUBBASA-N 0 0 640.070 6.078 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409154998 1072601831 /nfs/dbraw/zinc/60/18/31/1072601831.db2.gz PFIBLJFRRRZYBC-WSDLNYQXSA-N 0 0 585.978 5.369 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409154834 1072602963 /nfs/dbraw/zinc/60/29/63/1072602963.db2.gz HNWJYTNGEWDINZ-UCQKPKSFSA-N 0 0 503.536 5.157 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409360521 1072607779 /nfs/dbraw/zinc/60/77/79/1072607779.db2.gz PYKKCOUBQBLWRQ-NSHDSACASA-N 0 0 557.847 5.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360466 1072607814 /nfs/dbraw/zinc/60/78/14/1072607814.db2.gz PSOIAKOISZPKHF-GKTKDVHMSA-N 0 0 770.558 5.115 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409154083 1072608778 /nfs/dbraw/zinc/60/87/78/1072608778.db2.gz JRSNLRKIANQVHO-DHRITJCHSA-N 0 0 765.966 6.682 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Cl)cc1 ZINC000409154052 1072608793 /nfs/dbraw/zinc/60/87/93/1072608793.db2.gz NNROYHCXNMJBAA-CFRMEGHHSA-N 0 0 546.992 5.926 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409153802 1072609301 /nfs/dbraw/zinc/60/93/01/1072609301.db2.gz NAICVMWHRQOFQT-LPYMAVHISA-N 0 0 569.979 5.750 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409152967 1072614217 /nfs/dbraw/zinc/61/42/17/1072614217.db2.gz KJEBSLZEQBXINY-JFLMPSFJSA-N 0 0 747.020 7.620 40 5 KKBBRN CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409358797 1072616758 /nfs/dbraw/zinc/61/67/58/1072616758.db2.gz GUKHAGBGMBRADH-UHFFFAOYSA-N 0 0 526.471 5.986 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 ZINC000409151837 1072621938 /nfs/dbraw/zinc/62/19/38/1072621938.db2.gz CHVPGRPKICKYRS-DEOSSOPVSA-N 0 0 542.706 5.426 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409151889 1072622489 /nfs/dbraw/zinc/62/24/89/1072622489.db2.gz ILBRKULGPAVYBF-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409150918 1072626143 /nfs/dbraw/zinc/62/61/43/1072626143.db2.gz DZNQBBZUTUNAQO-ZMOGYAJESA-N 0 0 617.558 6.488 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 ZINC000409150443 1072628399 /nfs/dbraw/zinc/62/83/99/1072628399.db2.gz BUGLYWUQXZMWAK-ZVBGSRNCSA-N 0 0 656.820 7.497 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCc2ccccc2C1 ZINC000409375926 1072630722 /nfs/dbraw/zinc/63/07/22/1072630722.db2.gz QXQYWFPNJLWPJQ-AFPJDJCSSA-N 0 0 558.399 5.783 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409150062 1072630979 /nfs/dbraw/zinc/63/09/79/1072630979.db2.gz ZHSXIFDYEZRFFP-WPWMEQJKSA-N 0 0 744.564 5.689 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409375425 1072632797 /nfs/dbraw/zinc/63/27/97/1072632797.db2.gz KMGYJGHWHGSROX-QFEZKATASA-N 0 0 638.496 5.566 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409374638 1072636334 /nfs/dbraw/zinc/63/63/34/1072636334.db2.gz VNFFZJRXERZSIA-SRZZPIQSSA-N 0 0 525.970 6.108 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374442 1072636817 /nfs/dbraw/zinc/63/68/17/1072636817.db2.gz PSKJNZXTZDIPPX-AFUMVMLFSA-N 0 0 561.616 5.783 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 ZINC000409149107 1072638867 /nfs/dbraw/zinc/63/88/67/1072638867.db2.gz XLIKBDHNBWAZLF-MHZLTWQESA-N 0 0 517.507 6.975 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147468 1072649546 /nfs/dbraw/zinc/64/95/46/1072649546.db2.gz YWNUWCOJJNDGNP-RBMXVJLZSA-N 0 0 717.425 6.663 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409165876 1072652705 /nfs/dbraw/zinc/65/27/05/1072652705.db2.gz BFSBZZNCAVLHAA-FSJBWODESA-N 0 0 584.006 5.977 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409165459 1072655072 /nfs/dbraw/zinc/65/50/72/1072655072.db2.gz YLOZGEZYKDBAMO-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409163751 1072662096 /nfs/dbraw/zinc/66/20/96/1072662096.db2.gz XHPKHMJOFHKAAC-ZVHZXABRSA-N 0 0 568.007 5.901 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)ccc1Cl ZINC000409163619 1072663117 /nfs/dbraw/zinc/66/31/17/1072663117.db2.gz VCDQMJDEUKGGJP-WGOQTCKBSA-N 0 0 559.043 6.888 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409163713 1072663675 /nfs/dbraw/zinc/66/36/75/1072663675.db2.gz WSNWEVFJAGJEMR-MSXFZWOLSA-N 0 0 629.694 5.076 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409163426 1072665416 /nfs/dbraw/zinc/66/54/16/1072665416.db2.gz RFVFWZBEKJNENZ-OAQYLSRUSA-N 0 0 565.483 5.679 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1C ZINC000409162389 1072671685 /nfs/dbraw/zinc/67/16/85/1072671685.db2.gz DLPKFYLUYOOHKP-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409161555 1072675613 /nfs/dbraw/zinc/67/56/13/1072675613.db2.gz VQSMCAHOPPTMTQ-RGFRMHDHSA-N 0 0 617.680 5.072 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCc2ccccc2C1 ZINC000409378487 1072676290 /nfs/dbraw/zinc/67/62/90/1072676290.db2.gz PZPXGBABYKZFCR-CFRMEGHHSA-N 0 0 781.366 6.004 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)n2)cc1[N+](=O)[O-] ZINC000409161033 1072679809 /nfs/dbraw/zinc/67/98/09/1072679809.db2.gz SQUNANMFGXXACN-UHFFFAOYSA-N 0 0 536.426 5.037 40 5 KKBBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C ZINC000409384135 1072681561 /nfs/dbraw/zinc/68/15/61/1072681561.db2.gz ADKUKGGZXVQWKN-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl ZINC000409160637 1072682435 /nfs/dbraw/zinc/68/24/35/1072682435.db2.gz VFLOGZPRETZVAB-WSDLNYQXSA-N 0 0 648.875 6.513 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4Cl)n3C)n2)cc1[N+](=O)[O-] ZINC000409160438 1072682925 /nfs/dbraw/zinc/68/29/25/1072682925.db2.gz YMPAJVLUXJSWAR-UHFFFAOYSA-N 0 0 500.993 5.206 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409160513 1072683573 /nfs/dbraw/zinc/68/35/73/1072683573.db2.gz QRWPUNXHMDMOBL-SRZZPIQSSA-N 0 0 577.924 6.734 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)o1 ZINC000409386637 1072686110 /nfs/dbraw/zinc/68/61/10/1072686110.db2.gz QVCQFTFWNZNFRB-KEBDBYFISA-N 0 0 563.371 6.097 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409158658 1072692821 /nfs/dbraw/zinc/69/28/21/1072692821.db2.gz UJCIQLUNRJDLBB-VULFUBBASA-N 0 0 640.070 6.078 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409158708 1072692855 /nfs/dbraw/zinc/69/28/55/1072692855.db2.gz YIZHKELBAWQZCX-JAIQZWGSSA-N 0 0 540.941 5.119 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409158744 1072693311 /nfs/dbraw/zinc/69/33/11/1072693311.db2.gz LLHDJNQBSJLOBU-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)o1 ZINC000409384632 1072696988 /nfs/dbraw/zinc/69/69/88/1072696988.db2.gz DXKMVSOWMNUDJJ-LSHDLFTRSA-N 0 0 603.403 5.561 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1 ZINC000409384264 1072699861 /nfs/dbraw/zinc/69/98/61/1072699861.db2.gz AAGOMGDKHRFFMW-SRZZPIQSSA-N 0 0 620.377 5.395 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409166798 1072701587 /nfs/dbraw/zinc/70/15/87/1072701587.db2.gz GQGWIOIVWUNMOX-YDZHTSKRSA-N 0 0 584.006 6.058 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409166693 1072702497 /nfs/dbraw/zinc/70/24/97/1072702497.db2.gz FUXLUOKHILZQLN-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409177201 1072705889 /nfs/dbraw/zinc/70/58/89/1072705889.db2.gz DHJNCOGODNOJIQ-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409176839 1072706856 /nfs/dbraw/zinc/70/68/56/1072706856.db2.gz ZBUQRECFDLISCY-UHFFFAOYSA-N 0 0 534.362 7.086 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176767 1072707212 /nfs/dbraw/zinc/70/72/12/1072707212.db2.gz XBMOUZQAMZMWDT-AREMUKBSSA-N 0 0 546.513 5.117 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176348 1072708126 /nfs/dbraw/zinc/70/81/26/1072708126.db2.gz LCTJIVWWDMVBLE-YSURURNPSA-N 0 0 646.903 6.582 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176944 1072709356 /nfs/dbraw/zinc/70/93/56/1072709356.db2.gz BWFSDSGDXICRJL-SANMLTNESA-N 0 0 501.516 5.209 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 ZINC000409175930 1072713932 /nfs/dbraw/zinc/71/39/32/1072713932.db2.gz FAYMOTFXBZTBFF-UHFFFAOYSA-N 0 0 508.486 5.853 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409175701 1072714364 /nfs/dbraw/zinc/71/43/64/1072714364.db2.gz URNKAWBPYYKVPG-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409175128 1072717866 /nfs/dbraw/zinc/71/78/66/1072717866.db2.gz QHAUKDAEKOVGTG-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409175184 1072717877 /nfs/dbraw/zinc/71/78/77/1072717877.db2.gz WZEZSRCDJUHDEX-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCCCC1 ZINC000409380015 1072719658 /nfs/dbraw/zinc/71/96/58/1072719658.db2.gz FVCZTPNRNMBKPJ-NDENLUEZSA-N 0 0 550.420 5.529 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409380084 1072720568 /nfs/dbraw/zinc/72/05/68/1072720568.db2.gz HFPPFYVUFOUUPN-HMAPJEAMSA-N 0 0 560.028 5.275 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409174562 1072720801 /nfs/dbraw/zinc/72/08/01/1072720801.db2.gz NPMWXESMQNNCGZ-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409174565 1072721247 /nfs/dbraw/zinc/72/12/47/1072721247.db2.gz NPYKVLSSAKPSHJ-SSDVNMTOSA-N 0 0 566.573 5.692 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409174358 1072722984 /nfs/dbraw/zinc/72/29/84/1072722984.db2.gz SYJVGNMHWHYDAP-UHFFFAOYSA-N 0 0 510.933 7.613 40 5 KKBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409392396 1072726306 /nfs/dbraw/zinc/72/63/06/1072726306.db2.gz MACBQIVGHHPXMV-FMCGGJTJSA-N 0 0 613.433 5.174 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409173430 1072727604 /nfs/dbraw/zinc/72/76/04/1072727604.db2.gz NASMHIXBVMOOLG-MGBGTMOVSA-N 0 0 541.559 7.274 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409173431 1072727750 /nfs/dbraw/zinc/72/77/50/1072727750.db2.gz NASMHIXBVMOOLG-XIFFEERXSA-N 0 0 541.559 7.274 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409172935 1072729837 /nfs/dbraw/zinc/72/98/37/1072729837.db2.gz JLIQKXFFTSNHKA-ZAQUEYBZSA-N 0 0 736.689 8.857 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409173062 1072730794 /nfs/dbraw/zinc/73/07/94/1072730794.db2.gz LHDSPGWIQXSRPH-UHFFFAOYSA-N 0 0 620.570 7.802 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@H](NC(=O)c4ccc(Cl)cc4Cl)C(C)C)n3)n2)cc1[N+](=O)[O-] ZINC000409172658 1072731644 /nfs/dbraw/zinc/73/16/44/1072731644.db2.gz FEYARTAECAGOCE-OAQYLSRUSA-N 0 0 620.544 6.310 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409171880 1072737502 /nfs/dbraw/zinc/73/75/02/1072737502.db2.gz CKCITPCIANOTGS-GDLZYMKVSA-N 0 0 522.944 7.244 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409171698 1072738532 /nfs/dbraw/zinc/73/85/32/1072738532.db2.gz FJYDXJMRBNLKFJ-ZMOGYAJESA-N 0 0 601.559 6.788 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409171660 1072738606 /nfs/dbraw/zinc/73/86/06/1072738606.db2.gz CAKWCBAIRXSTDP-YDZHTSKRSA-N 0 0 548.533 5.533 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(Br)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409400327 1072746183 /nfs/dbraw/zinc/74/61/83/1072746183.db2.gz ONOZNEUVRYYMFW-OCKHKDLRSA-N 0 0 590.770 5.062 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000409400335 1072746274 /nfs/dbraw/zinc/74/62/74/1072746274.db2.gz OQXHRGYVLOSXPA-QRVIBDJDSA-N 0 0 571.542 5.198 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 ZINC000409169974 1072747423 /nfs/dbraw/zinc/74/74/23/1072747423.db2.gz SBTQOUMLDQKYGI-SRZZPIQSSA-N 0 0 561.469 6.220 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3Br)C2=O)o1 ZINC000409399905 1072747715 /nfs/dbraw/zinc/74/77/15/1072747715.db2.gz LYSYSLXOXAIPJO-MFOYZWKCSA-N 0 0 665.247 5.180 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409169802 1072748464 /nfs/dbraw/zinc/74/84/64/1072748464.db2.gz RNKVBMRNQGNYFV-BHGWPJFGSA-N 0 0 680.013 6.920 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409169615 1072748875 /nfs/dbraw/zinc/74/88/75/1072748875.db2.gz RCWCKEXBKRCWPL-AFUMVMLFSA-N 0 0 612.060 6.757 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 ZINC000409399646 1072749155 /nfs/dbraw/zinc/74/91/55/1072749155.db2.gz KKQCFOHRAAFWLS-GRSHGNNSSA-N 0 0 590.770 5.062 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409169265 1072751574 /nfs/dbraw/zinc/75/15/74/1072751574.db2.gz PCECXORFLFCGMB-UUYOSTAYSA-N 0 0 602.850 6.265 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409169071 1072751949 /nfs/dbraw/zinc/75/19/49/1072751949.db2.gz ONKPRKJGLXUYGA-ZVHZXABRSA-N 0 0 642.484 6.019 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168269 1072755201 /nfs/dbraw/zinc/75/52/01/1072755201.db2.gz PLWLEFKUBAWBAM-UHFFFAOYSA-N 0 0 582.860 5.470 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(SC)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409168111 1072756276 /nfs/dbraw/zinc/75/62/76/1072756276.db2.gz KFNOLSYAIZMYIB-CIAFOILYSA-N 0 0 525.564 5.260 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000409167744 1072758944 /nfs/dbraw/zinc/75/89/44/1072758944.db2.gz JMYZEHROWKRUAV-IBGZPJMESA-N 0 0 537.429 5.186 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3Br)C2=O)o1 ZINC000409403001 1072774002 /nfs/dbraw/zinc/77/40/02/1072774002.db2.gz YCHHQLHIYOFEFZ-MFOYZWKCSA-N 0 0 620.796 5.071 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C ZINC000409184514 1072776222 /nfs/dbraw/zinc/77/62/22/1072776222.db2.gz YSCNKBRAECTUHN-MUUNZHRXSA-N 0 0 529.570 5.825 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409184415 1072777654 /nfs/dbraw/zinc/77/76/54/1072777654.db2.gz XWVYNKRWFMUETI-GDLZYMKVSA-N 0 0 536.584 6.926 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000409401877 1072778938 /nfs/dbraw/zinc/77/89/38/1072778938.db2.gz UHCVHZUODYMMSN-UWVJOHFNSA-N 0 0 590.372 5.352 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409184068 1072779008 /nfs/dbraw/zinc/77/90/08/1072779008.db2.gz WLXJBHLRHKXYKS-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 ZINC000409183458 1072782644 /nfs/dbraw/zinc/78/26/44/1072782644.db2.gz SHVQJXQYOOJFPM-NDEPHWFRSA-N 0 0 534.524 5.793 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409183470 1072783003 /nfs/dbraw/zinc/78/30/03/1072783003.db2.gz SPOBNZKVSYMEKM-MHZLTWQESA-N 0 0 615.938 5.747 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409183466 1072783094 /nfs/dbraw/zinc/78/30/94/1072783094.db2.gz SMQTWHVSPUUWPP-BHGWPJFGSA-N 0 0 636.004 7.441 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409183175 1072784318 /nfs/dbraw/zinc/78/43/18/1072784318.db2.gz SCQQGQXPECPHGZ-UHFFFAOYSA-N 0 0 712.667 9.594 40 5 KKBBRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409183224 1072785276 /nfs/dbraw/zinc/78/52/76/1072785276.db2.gz SUVSZLWONRBQSX-MUUNZHRXSA-N 0 0 563.591 6.752 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409183042 1072786260 /nfs/dbraw/zinc/78/62/60/1072786260.db2.gz QMQIKKNKNCJFPK-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O ZINC000409183091 1072786614 /nfs/dbraw/zinc/78/66/14/1072786614.db2.gz RDYUWZGYUXZNRJ-HHHXNRCGSA-N 0 0 520.497 5.485 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409182793 1072788043 /nfs/dbraw/zinc/78/80/43/1072788043.db2.gz OKNFXVWLJDVDNS-UHFFFAOYSA-N 0 0 596.901 7.217 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000409182748 1072788508 /nfs/dbraw/zinc/78/85/08/1072788508.db2.gz NNCRDBUFEMPYCP-LJAQVGFWSA-N 0 0 503.514 6.229 40 5 KKBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409182337 1072791476 /nfs/dbraw/zinc/79/14/76/1072791476.db2.gz KPHVZYJQBNRJOS-UHFFFAOYSA-N 0 0 567.466 5.136 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1Cl ZINC000409182253 1072792951 /nfs/dbraw/zinc/79/29/51/1072792951.db2.gz JNKQDVMYVPLNDJ-KSEXSDGBSA-N 0 0 602.046 5.308 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409411554 1072795101 /nfs/dbraw/zinc/79/51/01/1072795101.db2.gz JANDGQIJADCVTK-UHFFFAOYSA-N 0 0 526.372 5.041 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409181580 1072796533 /nfs/dbraw/zinc/79/65/33/1072796533.db2.gz CYBNZOCXUYFLQL-UHFFFAOYSA-N 0 0 627.820 7.514 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181449 1072797420 /nfs/dbraw/zinc/79/74/20/1072797420.db2.gz ANVULLZVWRDLIU-UHFFFAOYSA-N 0 0 612.129 6.692 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409181333 1072798799 /nfs/dbraw/zinc/79/87/99/1072798799.db2.gz BBHZWMNVTJTBAK-UHFFFAOYSA-N 0 0 558.930 6.207 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CCC(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000409181313 1072798964 /nfs/dbraw/zinc/79/89/64/1072798964.db2.gz AULQYTMQGHUQJG-HHHXNRCGSA-N 0 0 529.574 5.913 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409181220 1072800033 /nfs/dbraw/zinc/80/00/33/1072800033.db2.gz ZJVGERDLKJTEQU-CIAFOILYSA-N 0 0 511.943 5.746 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180572 1072803212 /nfs/dbraw/zinc/80/32/12/1072803212.db2.gz XBIVYKLTGJTVGI-DXUGRCAZSA-N 0 0 654.144 6.401 40 5 KKBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409180611 1072803350 /nfs/dbraw/zinc/80/33/50/1072803350.db2.gz YADOFGABTPOJQJ-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409180453 1072804083 /nfs/dbraw/zinc/80/40/83/1072804083.db2.gz SZLRKNAOCDFCDB-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000409180250 1072804640 /nfs/dbraw/zinc/80/46/40/1072804640.db2.gz QKPFMFMODLDMJT-UHFFFAOYSA-N 0 0 622.121 5.516 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180186 1072806219 /nfs/dbraw/zinc/80/62/19/1072806219.db2.gz PVIAVLQDGIIWDC-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000409179419 1072810041 /nfs/dbraw/zinc/81/00/41/1072810041.db2.gz NCSLETBQBFDNEN-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409179436 1072810545 /nfs/dbraw/zinc/81/05/45/1072810545.db2.gz NKLSKZBKWTYXSK-UHFFFAOYSA-N 0 0 577.376 7.160 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409179336 1072811442 /nfs/dbraw/zinc/81/14/42/1072811442.db2.gz RJQVIMOSBXAJER-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl ZINC000409178914 1072812790 /nfs/dbraw/zinc/81/27/90/1072812790.db2.gz KGLVFSVACPHZFX-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000409178613 1072816131 /nfs/dbraw/zinc/81/61/31/1072816131.db2.gz NFFHOMMISGYXBS-UHFFFAOYSA-N 0 0 515.565 7.465 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178497 1072816146 /nfs/dbraw/zinc/81/61/46/1072816146.db2.gz IWZHNTNCISUDCV-NDEPHWFRSA-N 0 0 579.392 6.700 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409178335 1072816938 /nfs/dbraw/zinc/81/69/38/1072816938.db2.gz GOYUSXGRLDVRKK-SANMLTNESA-N 0 0 532.892 6.730 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177948 1072819832 /nfs/dbraw/zinc/81/98/32/1072819832.db2.gz HOPGQUWZJZZPDX-UHFFFAOYSA-N 0 0 569.482 5.462 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177808 1072820439 /nfs/dbraw/zinc/82/04/39/1072820439.db2.gz HNIKRCJMJPEZDZ-XSTKMXAKSA-N 0 0 661.567 6.325 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177712 1072821424 /nfs/dbraw/zinc/82/14/24/1072821424.db2.gz CGLMYWCYYNGESI-MHZLTWQESA-N 0 0 565.494 5.393 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409177716 1072821437 /nfs/dbraw/zinc/82/14/37/1072821437.db2.gz GPSCMWNPLCNLDM-MHZLTWQESA-N 0 0 605.386 6.492 40 5 KKBBRN COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 ZINC000409177570 1072822877 /nfs/dbraw/zinc/82/28/77/1072822877.db2.gz CDRUSCYKBLNGPC-HHHXNRCGSA-N 0 0 536.496 5.185 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccccc1 ZINC000409193329 1072824679 /nfs/dbraw/zinc/82/46/79/1072824679.db2.gz JHFLBULNGICYII-ODLFYWEKSA-N 0 0 572.165 5.684 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192362 1072825076 /nfs/dbraw/zinc/82/50/76/1072825076.db2.gz BFPXSDINMNFEAG-CXABMRDKSA-N 0 0 745.283 6.578 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409192384 1072825727 /nfs/dbraw/zinc/82/57/27/1072825727.db2.gz BYVPTUBSHCZGTE-IVQFASICSA-N 0 0 763.729 7.853 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409195325 1072837555 /nfs/dbraw/zinc/83/75/55/1072837555.db2.gz OPGOFIRGSRAFSS-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409195382 1072837687 /nfs/dbraw/zinc/83/76/87/1072837687.db2.gz PFIMQWLPSLRJTE-ZMOGYAJESA-N 0 0 533.562 5.166 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409195408 1072838178 /nfs/dbraw/zinc/83/81/78/1072838178.db2.gz IMKFXKUGYDWSTB-NDENLUEZSA-N 0 0 549.399 5.316 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409195146 1072838229 /nfs/dbraw/zinc/83/82/29/1072838229.db2.gz UBKBXLJPBDJDQJ-WLNFRNCRSA-N 0 0 765.657 6.459 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)ccc1OC(C)=O ZINC000409195028 1072839114 /nfs/dbraw/zinc/83/91/14/1072839114.db2.gz OSFYJITYPOHDCN-YEJNLHJGSA-N 0 0 686.265 6.017 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nnc(-c5cccc(Cl)c5)n4CC)c(=O)n32)cc1 ZINC000409194689 1072840544 /nfs/dbraw/zinc/84/05/44/1072840544.db2.gz QPNODNVAKUROGQ-HVDVVURSSA-N 0 0 745.283 6.577 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CCOC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409194930 1072840627 /nfs/dbraw/zinc/84/06/27/1072840627.db2.gz GBHSECYIOFSBBP-YBFXNURJSA-N 0 0 512.462 5.487 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409192985 1072852464 /nfs/dbraw/zinc/85/24/64/1072852464.db2.gz GWKBEJJZPWFMOL-SSDVNMTOSA-N 0 0 575.824 6.839 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409192687 1072854037 /nfs/dbraw/zinc/85/40/37/1072854037.db2.gz FENBRMTYWYQEIM-OCKHKDLRSA-N 0 0 636.636 6.346 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409192531 1072855007 /nfs/dbraw/zinc/85/50/07/1072855007.db2.gz DSPTVHPMLXNQRC-BISNYGKSSA-N 0 0 832.542 6.729 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409191737 1072861411 /nfs/dbraw/zinc/86/14/11/1072861411.db2.gz LZURKWNDSIMMNY-KOTFUQRNSA-N 0 0 519.307 5.321 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409191210 1072863612 /nfs/dbraw/zinc/86/36/12/1072863612.db2.gz DJAOTPSSDFHQCC-SRTOOPEESA-N 0 0 793.327 7.326 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC ZINC000409190136 1072872620 /nfs/dbraw/zinc/87/26/20/1072872620.db2.gz LFENGYOTLDVTGU-YMXYCTNHSA-N 0 0 528.517 5.356 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409190151 1072872643 /nfs/dbraw/zinc/87/26/43/1072872643.db2.gz LNXPAWKAOZLLAM-UWRMONIRSA-N 0 0 816.543 7.109 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409189178 1072877877 /nfs/dbraw/zinc/87/78/77/1072877877.db2.gz DYWIPMNKBIHFES-SOJUGJLBSA-N 0 0 840.178 6.959 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O ZINC000409189085 1072879353 /nfs/dbraw/zinc/87/93/53/1072879353.db2.gz CNKZORLDYGRGJG-JMIUGGIZSA-N 0 0 660.227 5.617 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409188888 1072880158 /nfs/dbraw/zinc/88/01/58/1072880158.db2.gz BQSGOQSBIDODCC-PQRKSKNISA-N 0 0 717.229 5.798 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409188705 1072881114 /nfs/dbraw/zinc/88/11/14/1072881114.db2.gz KGVWDSBIULOMAC-HBMWKUFKSA-N 0 0 795.368 7.649 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409188596 1072881702 /nfs/dbraw/zinc/88/17/02/1072881702.db2.gz FGDUBNXKHBATRM-STZFKDTASA-N 0 0 581.375 5.718 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188651 1072882153 /nfs/dbraw/zinc/88/21/53/1072882153.db2.gz JCAVYTWTZBCJIF-RGVLZGJSSA-N 0 0 624.694 7.593 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188006 1072884293 /nfs/dbraw/zinc/88/42/93/1072884293.db2.gz FBVCXBWZNGASMI-UAMLYEQYSA-N 0 0 740.654 7.025 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409188106 1072884608 /nfs/dbraw/zinc/88/46/08/1072884608.db2.gz ANQFBCRVXSSTQZ-DEDRDRDXSA-N 0 0 744.299 6.103 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409206935 1072889305 /nfs/dbraw/zinc/88/93/05/1072889305.db2.gz NLRLHEAJKLPSKT-VXLYETTFSA-N 0 0 603.369 6.548 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409206567 1072890992 /nfs/dbraw/zinc/89/09/92/1072890992.db2.gz LDOMXQNCNBBHSR-ZVHZXABRSA-N 0 0 513.531 5.991 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409205696 1072896797 /nfs/dbraw/zinc/89/67/97/1072896797.db2.gz FFDIFBGAYFIUPE-MSXFZWOLSA-N 0 0 626.441 5.383 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205442 1072898593 /nfs/dbraw/zinc/89/85/93/1072898593.db2.gz CNQKZMSBVDOZAK-QRVIBDJDSA-N 0 0 548.577 5.473 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409205091 1072899944 /nfs/dbraw/zinc/89/99/44/1072899944.db2.gz LIYZMENKEITYFH-BRJLIKDPSA-N 0 0 645.568 6.251 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203750 1072908684 /nfs/dbraw/zinc/90/86/84/1072908684.db2.gz ZBVAWRPPKQMETK-VULFUBBASA-N 0 0 591.598 5.019 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409200768 1072921052 /nfs/dbraw/zinc/92/10/52/1072921052.db2.gz JGHWDKVKFLJXTJ-KEBDBYFISA-N 0 0 535.792 7.375 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198329 1072931476 /nfs/dbraw/zinc/93/14/76/1072931476.db2.gz COBVPEUDAKMZFD-LPYMAVHISA-N 0 0 599.381 5.270 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409197984 1072932757 /nfs/dbraw/zinc/93/27/57/1072932757.db2.gz TVTINPCPOKFJDR-WYMPLXKRSA-N 0 0 646.903 6.663 40 5 KKBBRN COc1ccc(-c2s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409197504 1072935183 /nfs/dbraw/zinc/93/51/83/1072935183.db2.gz HFWKUWIGYPQTIB-RFBIWTDZSA-N 0 0 509.971 5.741 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409207584 1072941795 /nfs/dbraw/zinc/94/17/95/1072941795.db2.gz YACYEULMEXVQLG-BUESGFEBSA-N 0 0 524.473 5.784 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409214523 1072952574 /nfs/dbraw/zinc/95/25/74/1072952574.db2.gz XZLGUMHXBSXGQW-KEBDBYFISA-N 0 0 624.694 7.593 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409225916 1072977109 /nfs/dbraw/zinc/97/71/09/1072977109.db2.gz SSRDUQIOGTXWNV-AFUMVMLFSA-N 0 0 597.443 6.254 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409223659 1072986724 /nfs/dbraw/zinc/98/67/24/1072986724.db2.gz GURXRBCNCMABFZ-FBHDLOMBSA-N 0 0 578.430 6.867 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc(Br)cc1 ZINC000409223404 1072988637 /nfs/dbraw/zinc/98/86/37/1072988637.db2.gz FIRVQHDZCZZXEX-KEBDBYFISA-N 0 0 547.770 6.190 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409222615 1072992144 /nfs/dbraw/zinc/99/21/44/1072992144.db2.gz CKHSRDPECSPTPW-ZMOGYAJESA-N 0 0 551.552 5.387 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409220408 1073004393 /nfs/dbraw/zinc/00/43/93/1073004393.db2.gz YVTVBKZQMBYFQV-SSDVNMTOSA-N 0 0 614.386 5.986 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409220024 1073006478 /nfs/dbraw/zinc/00/64/78/1073006478.db2.gz XORSLBRGSSJYDS-ZVBGSRNCSA-N 0 0 595.914 6.873 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)o1 ZINC000409219634 1073008208 /nfs/dbraw/zinc/00/82/08/1073008208.db2.gz SPXUKJMFJQUGQX-KEBDBYFISA-N 0 0 531.905 5.331 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409219200 1073010257 /nfs/dbraw/zinc/01/02/57/1073010257.db2.gz NZCLNLBBVQNDPY-ZVHZXABRSA-N 0 0 504.520 5.102 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409229589 1073019199 /nfs/dbraw/zinc/01/91/99/1073019199.db2.gz ROEFTTXJOGYTCX-WSDLNYQXSA-N 0 0 599.381 5.188 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409228963 1073024890 /nfs/dbraw/zinc/02/48/90/1073024890.db2.gz HSUUEJGOZKBYQQ-YDZHTSKRSA-N 0 0 566.408 5.736 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409228807 1073025885 /nfs/dbraw/zinc/02/58/85/1073025885.db2.gz FMIGMTIRNMMKPQ-SSDVNMTOSA-N 0 0 663.421 5.601 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409227889 1073029812 /nfs/dbraw/zinc/02/98/12/1073029812.db2.gz SNHZRDYWSFQIES-YDZHTSKRSA-N 0 0 613.408 5.578 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)Nc1ccccc1Cl ZINC000409234722 1073047788 /nfs/dbraw/zinc/04/77/88/1073047788.db2.gz XRNWWICSBPSHDU-CVKSISIWSA-N 0 0 574.014 6.655 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409234967 1073047932 /nfs/dbraw/zinc/04/79/32/1073047932.db2.gz BMQQGFLCRQTQJN-DEDYPNTBSA-N 0 0 551.415 5.408 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409232320 1073062147 /nfs/dbraw/zinc/06/21/47/1073062147.db2.gz NWXXTUQBZMMYRA-XDHOZWIPSA-N 0 0 507.362 5.009 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409232159 1073063164 /nfs/dbraw/zinc/06/31/64/1073063164.db2.gz OGVDNWQMNDCWFF-BHGWPJFGSA-N 0 0 630.448 6.149 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409230767 1073068144 /nfs/dbraw/zinc/06/81/44/1073068144.db2.gz GHSIOHXDTSBDQV-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409246973 1073072549 /nfs/dbraw/zinc/07/25/49/1073072549.db2.gz ADNKGKKRQRNRBS-BHGWPJFGSA-N 0 0 629.003 6.031 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409245638 1073082050 /nfs/dbraw/zinc/08/20/50/1073082050.db2.gz WVMKVGXTKLNZQY-WOJGMQOQSA-N 0 0 586.258 5.772 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)Nc1cccc(F)c1 ZINC000409244053 1073089813 /nfs/dbraw/zinc/08/98/13/1073089813.db2.gz WVNLUFMSDDURKR-FBCYGCLPSA-N 0 0 536.324 5.976 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(F)c1 ZINC000409243358 1073092901 /nfs/dbraw/zinc/09/29/01/1073092901.db2.gz YANAXGQDDIQOBU-UFFVCSGVSA-N 0 0 759.291 6.197 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409243108 1073094357 /nfs/dbraw/zinc/09/43/57/1073094357.db2.gz VPHBSVWZDMHSQM-WSDLNYQXSA-N 0 0 601.251 6.100 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409242625 1073096317 /nfs/dbraw/zinc/09/63/17/1073096317.db2.gz XGEYIKYTVBSYLU-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409241189 1073103086 /nfs/dbraw/zinc/10/30/86/1073103086.db2.gz RYOJCRLZFVYVEK-YDZHTSKRSA-N 0 0 521.957 5.627 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc(F)c1 ZINC000409241159 1073103156 /nfs/dbraw/zinc/10/31/56/1073103156.db2.gz RQXDOIYREAQGJG-GRSHGNNSSA-N 0 0 546.330 5.431 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409240695 1073105767 /nfs/dbraw/zinc/10/57/67/1073105767.db2.gz PKMBCXKHTZPCGP-WSDLNYQXSA-N 0 0 552.381 5.428 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409248450 1073147905 /nfs/dbraw/zinc/14/79/05/1073147905.db2.gz KJITYGOPUGRXDV-CIAFOILYSA-N 0 0 571.373 5.021 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409256614 1073155319 /nfs/dbraw/zinc/15/53/19/1073155319.db2.gz PRGHHUDKRTVIKY-UHFFFAOYSA-N 0 0 579.656 5.597 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409255369 1073156619 /nfs/dbraw/zinc/15/66/19/1073156619.db2.gz HMPRJICGDRTVHY-UUYOSTAYSA-N 0 0 694.301 6.216 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409254894 1073169592 /nfs/dbraw/zinc/16/95/92/1073169592.db2.gz JPJRQDSNYKHWBU-WYMPLXKRSA-N 0 0 628.457 5.629 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409252528 1073186662 /nfs/dbraw/zinc/18/66/62/1073186662.db2.gz SYAYLQINDHMRIZ-FMCGGJTJSA-N 0 0 564.532 5.287 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409264657 1073210899 /nfs/dbraw/zinc/21/08/99/1073210899.db2.gz QUTVCRUKEIPHCU-NHDPSOOVSA-N 0 0 646.375 5.575 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(I)cc1 ZINC000409264070 1073214008 /nfs/dbraw/zinc/21/40/08/1073214008.db2.gz KNDKBNHEPOBIJM-CFRMEGHHSA-N 0 0 638.443 5.877 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409263776 1073215919 /nfs/dbraw/zinc/21/59/19/1073215919.db2.gz OGBVTOZBJVPMPI-JJFYIABZSA-N 0 0 613.402 6.041 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409263814 1073215956 /nfs/dbraw/zinc/21/59/56/1073215956.db2.gz CEJUMZIXWYTOKF-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409260865 1073230834 /nfs/dbraw/zinc/23/08/34/1073230834.db2.gz XQYDQSIMRLAQDV-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409260474 1073233831 /nfs/dbraw/zinc/23/38/31/1073233831.db2.gz QRTXDAFPJREMON-UHFFFAOYSA-N 0 0 566.355 7.425 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409259464 1073239731 /nfs/dbraw/zinc/23/97/31/1073239731.db2.gz ZTNVJOUPRUHQJT-BHGWPJFGSA-N 0 0 617.861 6.518 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409259481 1073240160 /nfs/dbraw/zinc/24/01/60/1073240160.db2.gz ZPIAMMZGYHJYFA-UUYOSTAYSA-N 0 0 661.328 6.682 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409259224 1073240169 /nfs/dbraw/zinc/24/01/69/1073240169.db2.gz YDFASGZKLSXHID-UHFFFAOYSA-N 0 0 541.935 5.718 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409258319 1073247182 /nfs/dbraw/zinc/24/71/82/1073247182.db2.gz UJERXSVNIMJWCG-LGJNPRDNSA-N 0 0 638.496 5.566 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409272618 1073254669 /nfs/dbraw/zinc/25/46/69/1073254669.db2.gz NPIMKCMKEHNADE-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F ZINC000409272362 1073254985 /nfs/dbraw/zinc/25/49/85/1073254985.db2.gz YGXKNBQNVQHGQG-ZVBGSRNCSA-N 0 0 556.459 5.249 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409271309 1073265078 /nfs/dbraw/zinc/26/50/78/1073265078.db2.gz UPEGLOMRBJTRAG-SSDVNMTOSA-N 0 0 539.953 5.515 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c(OC)c1 ZINC000409271083 1073265528 /nfs/dbraw/zinc/26/55/28/1073265528.db2.gz IWBFLFFGRNFDKY-SAGCDJCOSA-N 0 0 653.761 5.036 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000409270941 1073266459 /nfs/dbraw/zinc/26/64/59/1073266459.db2.gz ITSZFWZXVUPELL-UHFFFAOYSA-N 0 0 550.036 6.513 40 5 KKBBRN CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409270925 1073266466 /nfs/dbraw/zinc/26/64/66/1073266466.db2.gz BMTBKFSQEJKYRS-VIZOYTHASA-N 0 0 503.252 5.835 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409270749 1073267648 /nfs/dbraw/zinc/26/76/48/1073267648.db2.gz ACOGWJJAOWQGQI-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409270271 1073272135 /nfs/dbraw/zinc/27/21/35/1073272135.db2.gz ONJBFSLKOSHZJA-YDZHTSKRSA-N 0 0 593.580 6.099 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000409269292 1073277874 /nfs/dbraw/zinc/27/78/74/1073277874.db2.gz AUNCQCCHDRQFTL-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409268932 1073281319 /nfs/dbraw/zinc/28/13/19/1073281319.db2.gz ZVFQAPPXOCAMGL-ZVHZXABRSA-N 0 0 642.484 6.019 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409268223 1073285946 /nfs/dbraw/zinc/28/59/46/1073285946.db2.gz ZUJMSFYRYBPJLJ-AUEPDCJTSA-N 0 0 621.977 7.051 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3cccc4ccccc43)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276246 1073291181 /nfs/dbraw/zinc/29/11/81/1073291181.db2.gz ZGWPHLOOHVOGMS-JVWAILMASA-N 0 0 524.554 6.246 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409276055 1073294099 /nfs/dbraw/zinc/29/40/99/1073294099.db2.gz XXHXDMWLKOKJNN-JAIQZWGSSA-N 0 0 527.898 6.198 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409275860 1073295410 /nfs/dbraw/zinc/29/54/10/1073295410.db2.gz MDNAGEJBEUKRKF-WSDLNYQXSA-N 0 0 587.532 5.665 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409275765 1073297581 /nfs/dbraw/zinc/29/75/81/1073297581.db2.gz WPIXXAHNDBYDEI-WSDLNYQXSA-N 0 0 584.404 5.259 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000409275504 1073298024 /nfs/dbraw/zinc/29/80/24/1073298024.db2.gz VHNNMXPBIDTFLA-XKZIYDEJSA-N 0 0 574.453 5.231 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000409275528 1073298382 /nfs/dbraw/zinc/29/83/82/1073298382.db2.gz VLFPLMGJTZSXED-AFUMVMLFSA-N 0 0 593.539 7.234 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409275347 1073299574 /nfs/dbraw/zinc/29/95/74/1073299574.db2.gz IQDVHDUQUPSJJG-XKZIYDEJSA-N 0 0 534.550 5.083 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409275087 1073302891 /nfs/dbraw/zinc/30/28/91/1073302891.db2.gz HZAZYZIMWOYNPF-WGJPBTIMSA-N 0 0 717.642 5.851 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000409274692 1073306777 /nfs/dbraw/zinc/30/67/77/1073306777.db2.gz FTPCESCNKNKDNB-JAIQZWGSSA-N 0 0 565.323 7.409 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409274460 1073310448 /nfs/dbraw/zinc/31/04/48/1073310448.db2.gz DEQKSQPTILUFQJ-LHMNITIUSA-N 0 0 638.746 5.089 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409274046 1073314261 /nfs/dbraw/zinc/31/42/61/1073314261.db2.gz UIQQEDGBTMBGCI-JMIUGGIZSA-N 0 0 599.768 8.063 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409273710 1073317864 /nfs/dbraw/zinc/31/78/64/1073317864.db2.gz RLIDKMBMVDGCKF-DHRITJCHSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273596 1073318295 /nfs/dbraw/zinc/31/82/95/1073318295.db2.gz KGWCZFFHUOINJP-SSDVNMTOSA-N 0 0 550.461 5.123 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273380 1073319796 /nfs/dbraw/zinc/31/97/96/1073319796.db2.gz QIHPNGFFDKMSOW-GOQPZEPVSA-N 0 0 654.789 5.885 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 ZINC000409273388 1073320181 /nfs/dbraw/zinc/32/01/81/1073320181.db2.gz QKZSHWFOEUWLMQ-ZMOGYAJESA-N 0 0 583.544 6.027 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000059247854 193893136 /nfs/dbraw/zinc/89/31/36/193893136.db2.gz QIGWQGLNMBWAEV-JQTKYWOZSA-N 0 0 612.063 5.757 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100370040 193905837 /nfs/dbraw/zinc/90/58/37/193905837.db2.gz DGUWWBKFMHKXOS-XKZIYDEJSA-N 0 0 584.473 6.492 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223001408 193938834 /nfs/dbraw/zinc/93/88/34/193938834.db2.gz AHWDDWIBKCCXDJ-FQEVSTJZSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224510636 193954381 /nfs/dbraw/zinc/95/43/81/193954381.db2.gz HTFPXSZPXAGEMM-HHHXNRCGSA-N 0 0 726.079 6.934 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224520947 193959570 /nfs/dbraw/zinc/95/95/70/193959570.db2.gz ICNJELBKGFXSFK-HHHXNRCGSA-N 0 0 635.570 5.142 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225540437 193973034 /nfs/dbraw/zinc/97/30/34/193973034.db2.gz NGVAPUISSKIOFC-FTJBHMTQSA-N 0 0 513.579 5.251 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225542044 193973888 /nfs/dbraw/zinc/97/38/88/193973888.db2.gz JTFHUJUGHKHUMJ-MHZLTWQESA-N 0 0 598.563 6.147 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409050558 195499939 /nfs/dbraw/zinc/49/99/39/195499939.db2.gz WYKSLJBZRRCEFU-GFUAOMJXSA-N 0 0 786.866 6.371 40 5 KKBBRN Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 ZINC000000781470 551542401 /nfs/dbraw/zinc/54/24/01/551542401.db2.gz VCGWBZDFKPUNAT-IBGZPJMESA-N 0 0 503.584 5.491 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000839691 551547541 /nfs/dbraw/zinc/54/75/41/551547541.db2.gz RGWFFWNLRHNEBK-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000845466 551548859 /nfs/dbraw/zinc/54/88/59/551548859.db2.gz XELFBIPQBJWEPL-GOSISDBHSA-N 0 0 540.189 5.114 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 ZINC000000877650 551554835 /nfs/dbraw/zinc/55/48/35/551554835.db2.gz UGKRKZOICOQALG-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1cc(Cl)cc(Cl)c1-2 ZINC000001719584 551690592 /nfs/dbraw/zinc/69/05/92/551690592.db2.gz QOISMTJCLHKVAI-UHFFFAOYSA-N 0 0 525.218 7.689 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000001899427 551729948 /nfs/dbraw/zinc/72/99/48/551729948.db2.gz WEYAEDVRPLAJQN-SDHOMARFSA-N 0 0 534.355 6.106 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)c3ccc(Cn4cc(Br)c([N+](=O)[O-])n4)cc3)n2)cc1C ZINC000002742815 552172258 /nfs/dbraw/zinc/17/22/58/552172258.db2.gz UBWCDICZONBVOW-UHFFFAOYSA-N 0 0 512.389 5.595 40 5 KKBBRN Cc1c(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cccc1OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000002748290 552174960 /nfs/dbraw/zinc/17/49/60/552174960.db2.gz QNEWWSLXZMWNBR-UHFFFAOYSA-N 0 0 580.141 5.775 40 5 KKBBRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000002798687 552193180 /nfs/dbraw/zinc/19/31/80/552193180.db2.gz NTTSYSSGMPEJDS-LBPRGKRZSA-N 0 0 546.449 6.131 40 5 KKBBRN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(-c2ccc(I)cc2)o1 ZINC000003089569 552286451 /nfs/dbraw/zinc/28/64/51/552286451.db2.gz PDLIWIHKISWAHT-YVLHZVERSA-N 0 0 520.666 5.457 40 5 KKBBRN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003142888 552295288 /nfs/dbraw/zinc/29/52/88/552295288.db2.gz SIRDWQZUGXCCPZ-UHFFFAOYSA-N 0 0 521.510 5.715 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000003143190 552295791 /nfs/dbraw/zinc/29/57/91/552295791.db2.gz UAGIMHIAEQUIRW-UHFFFAOYSA-N 0 0 598.335 7.130 40 5 KKBBRN O=c1c2ccc3c4ccc5c(=O)c6cc([N+](=O)[O-])ccc6c6ccc(c7ccc(c8ccc([N+](=O)[O-])cc18)c2c37)c4c56 ZINC000003954047 552423515 /nfs/dbraw/zinc/42/35/15/552423515.db2.gz KDVDMQVITMTCAH-UHFFFAOYSA-N 0 0 546.494 7.762 40 5 aggregator,in-vitro KKBBRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 ZINC000004048147 552431692 /nfs/dbraw/zinc/43/16/92/552431692.db2.gz NYXWOKXMYHHPEP-WRCAVZGJSA-N 0 0 599.690 8.910 40 5 KKBBRN CCc1c2cc3c(CC)c(CC)c(cc4c(CC)c(CC)c(cc5c(CC)c(CC)c(cc(c1CC)n2C)n5C)n4C)n3C ZINC000004268305 552455031 /nfs/dbraw/zinc/45/50/31/552455031.db2.gz HLOYNDRYGYXAIF-UHFFFAOYSA-N 0 0 592.916 9.839 40 5 KKBBRN O=C(c1noc(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004292508 552456671 /nfs/dbraw/zinc/45/66/71/552456671.db2.gz JMYWXJVBHDXPHQ-UHFFFAOYSA-N 0 0 513.325 5.076 40 5 KKBBRN O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000004292477 552456679 /nfs/dbraw/zinc/45/66/79/552456679.db2.gz VGUJVCDGBLJYNY-UHFFFAOYSA-N 0 0 513.325 5.076 40 5 KKBBRN O=C(c1ccccc1)[C@@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 ZINC000005340405 552497640 /nfs/dbraw/zinc/49/76/40/552497640.db2.gz IFNGUSWXGUKLEO-WXUYMIOXSA-N 0 0 514.624 8.051 40 5 KKBBRN CC=c1c(C)c2cc3nc(c4c5[nH]c(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5c(=O)c4C(=O)OC)[C@H](CCC(=O)OC)[C@@H]3C ZINC000005439065 552502316 /nfs/dbraw/zinc/50/23/16/552502316.db2.gz IWKYEJKHXKRZIJ-MWFNXMJCSA-N 0 0 606.723 7.016 40 5 KKBBRN O=C(CCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000005479453 552503015 /nfs/dbraw/zinc/50/30/15/552503015.db2.gz LMIYCVAKOBJVBO-UHFFFAOYSA-N 0 0 516.557 5.424 40 5 KKBBRN Cn1c2ccccc2c(=S)c2cc(NC(=O)CCCCC(=O)Nc3ccc4c(c3)c(=S)c3ccccc3n4C)ccc21 ZINC000005615578 552505413 /nfs/dbraw/zinc/50/54/13/552505413.db2.gz ZPCLWFQGEAYZLM-UHFFFAOYSA-N 0 0 590.774 8.573 40 5 KKBBRN Cn1c2ccccc2c(=O)c2cc(NC(=O)CCCCCCCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 ZINC000005615554 552505439 /nfs/dbraw/zinc/50/54/39/552505439.db2.gz SZZUCXYLEAQFBF-UHFFFAOYSA-N 0 0 600.719 7.005 40 5 KKBBRN COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 ZINC000006157190 552553437 /nfs/dbraw/zinc/55/34/37/552553437.db2.gz QJYRIALOFXZHFB-UHFFFAOYSA-N 0 0 526.574 6.390 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000006194263 552565935 /nfs/dbraw/zinc/56/59/35/552565935.db2.gz OBORNQLJPQTIQU-UHFFFAOYSA-N 0 0 539.017 5.489 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 ZINC000006194281 552565959 /nfs/dbraw/zinc/56/59/59/552565959.db2.gz UTFQBVZHSUQXLC-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000006194294 552565998 /nfs/dbraw/zinc/56/59/98/552565998.db2.gz HLYRQRQLLBXRGF-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006280777 552576731 /nfs/dbraw/zinc/57/67/31/552576731.db2.gz JQPKSGBOOXKWPU-QGZVFWFLSA-N 0 0 553.044 5.877 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Br ZINC000006297111 552579652 /nfs/dbraw/zinc/57/96/52/552579652.db2.gz SBPZWHKEGUKLDD-UHFFFAOYSA-N 0 0 537.370 6.027 40 5 KKBBRN COc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006297639 552579721 /nfs/dbraw/zinc/57/97/21/552579721.db2.gz LNMDJCIRJPICEA-UHFFFAOYSA-N 0 0 556.875 5.531 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)o1 ZINC000006446353 552588933 /nfs/dbraw/zinc/58/89/33/552588933.db2.gz QZMVWSIZHKUSJM-UHFFFAOYSA-N 0 0 504.959 5.762 40 5 KKBBRN O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474800 552593117 /nfs/dbraw/zinc/59/31/17/552593117.db2.gz STQQSKBKLVDQHT-UHFFFAOYSA-N 0 0 528.516 5.537 40 5 KKBBRN O=C(CSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474808 552593121 /nfs/dbraw/zinc/59/31/21/552593121.db2.gz IMVOLVLEZIYTBN-UHFFFAOYSA-N 0 0 540.399 5.248 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000006474770 552593179 /nfs/dbraw/zinc/59/31/79/552593179.db2.gz JOJXZPMRHAHMMN-UHFFFAOYSA-N 0 0 500.367 5.880 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 ZINC000008454055 553067343 /nfs/dbraw/zinc/06/73/43/553067343.db2.gz ALQYNJMXOUJUNP-PNJIRECESA-N 0 0 671.536 8.091 40 5 KKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1 ZINC000008651930 553107478 /nfs/dbraw/zinc/10/74/78/553107478.db2.gz DBWVHDCADROUMD-CIAFOILYSA-N 0 0 520.419 6.484 40 5 KKBBRN C[C@@H]1[C@@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@@]12CC[C@H](C)CO2 ZINC000008738831 553130969 /nfs/dbraw/zinc/13/09/69/553130969.db2.gz ULNDHEVVJSRKCY-QLUJEBIRSA-N 0 0 509.643 6.317 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832877 553158647 /nfs/dbraw/zinc/15/86/47/553158647.db2.gz BBPBNQXITSCUGM-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1OC ZINC000008832878 553158914 /nfs/dbraw/zinc/15/89/14/553158914.db2.gz APUSBXFJGNCDRL-UHFFFAOYSA-N 0 0 510.553 5.122 40 5 KKBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000008833001 553159040 /nfs/dbraw/zinc/15/90/40/553159040.db2.gz DDIUWZWVWXUAEX-UHFFFAOYSA-N 0 0 509.613 5.026 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833185 553159776 /nfs/dbraw/zinc/15/97/76/553159776.db2.gz DHPGGWLCXCITRB-UHFFFAOYSA-N 0 0 503.609 5.599 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3O)oc2c1 ZINC000008833327 553160289 /nfs/dbraw/zinc/16/02/89/553160289.db2.gz NDBVYENTGDMWPA-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008835780 553162659 /nfs/dbraw/zinc/16/26/59/553162659.db2.gz VLGZPRIOORGLJA-UHFFFAOYSA-N 0 0 504.490 5.601 40 5 KKBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008898386 553180128 /nfs/dbraw/zinc/18/01/28/553180128.db2.gz ROGWERCUHDTHOT-UHFFFAOYSA-N 0 0 516.067 5.602 40 5 KKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008899009 553180604 /nfs/dbraw/zinc/18/06/04/553180604.db2.gz PHLOFPXSOCFPCP-UHFFFAOYSA-N 0 0 510.358 7.691 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062483 553205016 /nfs/dbraw/zinc/20/50/16/553205016.db2.gz VPCSRUBMPVCCQE-UHFFFAOYSA-N 0 0 509.931 5.280 40 5 KKBBRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1[N+](=O)[O-] ZINC000010119733 553329820 /nfs/dbraw/zinc/32/98/20/553329820.db2.gz ADZKADIEYIRUOT-UHFFFAOYSA-N 0 0 510.344 6.379 40 5 KKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000010119757 553329825 /nfs/dbraw/zinc/32/98/25/553329825.db2.gz WXFIIXUTQSIJPJ-UHFFFAOYSA-N 0 0 500.736 6.634 40 5 KKBBRN O=C(/N=c1/c2c3c(sc2nc2n1CCCCC2)CCCC3)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012311204 553357129 /nfs/dbraw/zinc/35/71/29/553357129.db2.gz DEJISYRQLOPABB-GNVQSUKOSA-N 0 0 505.644 5.343 40 5 KKBBRN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC4)cc1 ZINC000012487126 553378124 /nfs/dbraw/zinc/37/81/24/553378124.db2.gz BJHQWLZMDYIMMP-UHFFFAOYSA-N 0 0 506.609 5.273 40 5 KKBBRN COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3sc(C)c(C)c3c2=O)cc1 ZINC000013401795 553459161 /nfs/dbraw/zinc/45/91/61/553459161.db2.gz FOBKALLCELSNTK-UHFFFAOYSA-N 0 0 510.597 5.020 40 5 KKBBRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c32)C1 ZINC000013510235 553467307 /nfs/dbraw/zinc/46/73/07/553467307.db2.gz NYIFWBLVNODBTA-FQEVSTJZSA-N 0 0 535.714 6.640 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274363 553507253 /nfs/dbraw/zinc/50/72/53/553507253.db2.gz RNLCCRADPYHHKA-UHFFFAOYSA-N 0 0 511.003 6.158 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000014274766 553507703 /nfs/dbraw/zinc/50/77/03/553507703.db2.gz DVNKYZKLJVAOLQ-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000014274764 553507715 /nfs/dbraw/zinc/50/77/15/553507715.db2.gz FVAMGWURVZZTEJ-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278356 553510780 /nfs/dbraw/zinc/51/07/80/553510780.db2.gz NUDLVTIUEDODMB-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014279437 553511496 /nfs/dbraw/zinc/51/14/96/553511496.db2.gz YFHQUTWCBCYUNA-UHFFFAOYSA-N 0 0 505.383 5.178 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014291051 553511595 /nfs/dbraw/zinc/51/15/95/553511595.db2.gz HMFHAGZTNIWHAV-WUXMJOGZSA-N 0 0 511.409 5.876 40 5 KKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000014291162 553511850 /nfs/dbraw/zinc/51/18/50/553511850.db2.gz AAMFVNUJWBDLJC-UHFFFAOYSA-N 0 0 510.978 5.374 40 5 KKBBRN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)Nc2ccccc2-3)cc1 ZINC000015015777 553526010 /nfs/dbraw/zinc/52/60/10/553526010.db2.gz SKHKYTQPLKYZMU-HSZRJFAPSA-N 0 0 501.524 5.279 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1I ZINC000015305943 553531321 /nfs/dbraw/zinc/53/13/21/553531321.db2.gz YKOOMFAXPGZAAS-WQRHYEAKSA-N 0 0 500.248 5.112 40 5 KKBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000016194514 553556331 /nfs/dbraw/zinc/55/63/31/553556331.db2.gz PUXVVVMFPGAGEL-VMPITWQZSA-N 0 0 519.429 5.263 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016545503 553567668 /nfs/dbraw/zinc/56/76/68/553567668.db2.gz MNNIIXGJHVOETH-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611107 553569511 /nfs/dbraw/zinc/56/95/11/553569511.db2.gz PZWBBSZODVWZPB-HNNXBMFYSA-N 0 0 504.568 6.052 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1[N+](=O)[O-] ZINC000016693016 553573886 /nfs/dbraw/zinc/57/38/86/553573886.db2.gz YFNXZKYFLGEQGY-UHFFFAOYSA-N 0 0 512.547 6.082 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000068583017 553592035 /nfs/dbraw/zinc/59/20/35/553592035.db2.gz GIOWBTFPAZNCPA-TUUBTQOTSA-N 0 0 554.194 5.005 40 5 KKBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCc6c[nH]c7ccccc67)ccc5n(c43)c(=O)c2c1OC ZINC000070708114 553631989 /nfs/dbraw/zinc/63/19/89/553631989.db2.gz XNSKADRNRJEWKZ-GOSISDBHSA-N 0 0 560.610 5.217 40 5 biogenic KKBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000020412568 553647076 /nfs/dbraw/zinc/64/70/76/553647076.db2.gz NNFJFKZQEWLTKW-ACCUITESSA-N 0 0 522.989 5.465 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)c2)cc1 ZINC000020044429 553669381 /nfs/dbraw/zinc/66/93/81/553669381.db2.gz VESMJMYYDADAEK-ZTKZIYFRSA-N 0 0 519.601 7.324 40 5 KKBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000020528875 553669499 /nfs/dbraw/zinc/66/94/99/553669499.db2.gz FEWRLZCTLYHVFU-MKMNVTDBSA-N 0 0 519.001 5.425 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000020528986 553669720 /nfs/dbraw/zinc/66/97/20/553669720.db2.gz LBQLHTCGHWWQIK-UHFFFAOYSA-N 0 0 510.978 5.455 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl ZINC000020610834 553679042 /nfs/dbraw/zinc/67/90/42/553679042.db2.gz YUZNUUIBIXNUCQ-UKTHLTGXSA-N 0 0 515.913 5.903 40 5 KKBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000021595715 553714906 /nfs/dbraw/zinc/71/49/06/553714906.db2.gz CFANPGNXJFYLKO-ACCUITESSA-N 0 0 500.540 5.544 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000021595643 553714969 /nfs/dbraw/zinc/71/49/69/553714969.db2.gz OVCIWJSRAOWRGT-FQEVSTJZSA-N 0 0 512.610 7.405 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000021595969 553715198 /nfs/dbraw/zinc/71/51/98/553715198.db2.gz RKLPLYOULWCBJD-UHFFFAOYSA-N 0 0 517.969 6.510 40 5 KKBBRN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 ZINC000096022363 553721024 /nfs/dbraw/zinc/72/10/24/553721024.db2.gz HIYYGFKEMCPOEG-WOLARSMZSA-N 0 0 541.579 5.669 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000022278838 553736495 /nfs/dbraw/zinc/73/64/95/553736495.db2.gz JUEXWIWRMHPVAP-UHFFFAOYSA-N 0 0 515.591 5.019 40 5 KKBBRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429778 553739984 /nfs/dbraw/zinc/73/99/84/553739984.db2.gz HSWXCCFJBITEKP-NDEPHWFRSA-N 0 0 515.591 5.004 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000022825812 553752757 /nfs/dbraw/zinc/75/27/57/553752757.db2.gz UEZBASHBSZLRED-UHFFFAOYSA-N 0 0 502.600 5.415 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] ZINC000022830217 553754687 /nfs/dbraw/zinc/75/46/87/553754687.db2.gz FMNBMXWOYKQZEK-UHFFFAOYSA-N 0 0 506.431 5.178 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@@H](c5ccccc5)C[C@@H]6C(F)F)nc34)c21 ZINC000097945896 553775191 /nfs/dbraw/zinc/77/51/91/553775191.db2.gz INDMANXMLOJNSL-GDBMZVCRSA-N 0 0 538.534 6.360 40 5 KKBBRN O=C(Oc1ccccc1)c1cccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000024522858 553790839 /nfs/dbraw/zinc/79/08/39/553790839.db2.gz GHCGGYSLHLATBO-WUKNDPDISA-N 0 0 503.514 6.507 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097952419 553815679 /nfs/dbraw/zinc/81/56/79/553815679.db2.gz ITHYJZTURXOKBD-VJBGASIXSA-N 0 0 543.579 5.037 40 5 KKBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 ZINC000097955036 553827480 /nfs/dbraw/zinc/82/74/80/553827480.db2.gz YAXQSZGROMJYRA-VABKMULXSA-N 0 0 528.348 5.351 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000032114694 553864197 /nfs/dbraw/zinc/86/41/97/553864197.db2.gz MLXLYISXSONVTM-UHFFFAOYSA-N 0 0 502.939 6.336 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115548 553864682 /nfs/dbraw/zinc/86/46/82/553864682.db2.gz DPBACUSQAKWXMQ-UHFFFAOYSA-N 0 0 508.943 5.682 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116663 553865255 /nfs/dbraw/zinc/86/52/55/553865255.db2.gz RZLQTUXNKHKDLK-BJMVGYQFSA-N 0 0 506.971 6.200 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-] ZINC000032126802 553866754 /nfs/dbraw/zinc/86/67/54/553866754.db2.gz HMPXBQWJJMCGQL-UHFFFAOYSA-N 0 0 512.547 6.082 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C/C=C(/C)CCC=C(C)C ZINC000032787688 553874837 /nfs/dbraw/zinc/87/48/37/553874837.db2.gz OAIJSZIZWZSQBC-BUGFCKDYSA-N 0 0 536.888 12.938 40 5 KKBBRN O=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000033355072 553932807 /nfs/dbraw/zinc/93/28/07/553932807.db2.gz VBDBDZHLJKDSSB-DVQSUWLUSA-N 0 0 569.610 5.864 40 5 KKBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033749911 553972172 /nfs/dbraw/zinc/97/21/72/553972172.db2.gz GRJFAINEHRGPED-QOENCPKGSA-N 0 0 514.619 5.023 40 5 KKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000033764894 553972659 /nfs/dbraw/zinc/97/26/59/553972659.db2.gz WWDNHBZCYPEPSQ-HVXQOBHKSA-N 0 0 516.937 5.931 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 ZINC000097983820 554011909 /nfs/dbraw/zinc/01/19/09/554011909.db2.gz BKOYERJOPBZSCY-OQFQRAQBSA-N 0 0 534.663 5.991 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097983837 554012379 /nfs/dbraw/zinc/01/23/79/554012379.db2.gz VXGNXCVRIIXHSM-VUDXKODHSA-N 0 0 610.623 5.326 40 5 KKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1Br ZINC000034967305 554033233 /nfs/dbraw/zinc/03/32/33/554033233.db2.gz QLPGSKYQARMCTA-UHFFFAOYSA-N 0 0 500.330 6.002 40 5 KKBBRN O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100037608 554191517 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100217185 554250886 /nfs/dbraw/zinc/25/08/86/554250886.db2.gz FBHVDGWFSULKDE-HVDVVURSSA-N 0 0 562.691 5.892 40 5 KKBBRN c1ccc([C@H](c2cccc3c4ccccc4ccc32)[C@@H](c2ccccc2)c2cccc3c4ccccc4ccc32)cc1 ZINC000038147440 554270546 /nfs/dbraw/zinc/27/05/46/554270546.db2.gz RFUAXVYDNSFUAI-ZRKBJOGQSA-N 0 0 534.702 11.263 40 5 in-vitro KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000038172958 554273926 /nfs/dbraw/zinc/27/39/26/554273926.db2.gz GGJBYXJPJCNEAD-UHFFFAOYSA-N 0 0 500.492 5.495 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000040717500 554287701 /nfs/dbraw/zinc/28/77/01/554287701.db2.gz RXXCTHWLYLZAAX-UHFFFAOYSA-N 0 0 517.567 5.139 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000100297030 554288809 /nfs/dbraw/zinc/28/88/09/554288809.db2.gz YCJVFGAYIFFNJL-UHFFFAOYSA-N 0 0 532.965 6.345 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000100297873 554289374 /nfs/dbraw/zinc/28/93/74/554289374.db2.gz OUUGSBWJNMQGEE-UHFFFAOYSA-N 0 0 546.992 6.735 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000100299518 554290333 /nfs/dbraw/zinc/29/03/33/554290333.db2.gz UEWXCHNLROOXOC-UHFFFAOYSA-N 0 0 537.384 6.990 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100305768 554293899 /nfs/dbraw/zinc/29/38/99/554293899.db2.gz QVBOVMXZQUIBPV-ZSJKCPIUSA-N 0 0 622.497 5.462 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100306876 554295213 /nfs/dbraw/zinc/29/52/13/554295213.db2.gz SUNWIDXPBPATGC-QARYAGPDSA-N 0 0 578.046 5.353 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100307614 554296145 /nfs/dbraw/zinc/29/61/45/554296145.db2.gz CQJBEMHCSTXRKS-ZSJKCPIUSA-N 0 0 578.046 5.353 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1C ZINC000100309846 554299421 /nfs/dbraw/zinc/29/94/21/554299421.db2.gz KNBZVPOAXRSXSK-UHFFFAOYSA-N 0 0 525.384 5.909 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 ZINC000100320106 554304932 /nfs/dbraw/zinc/30/49/32/554304932.db2.gz MYIGRIDPDSGBJN-AWEZNQCLSA-N 0 0 553.438 6.806 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br ZINC000100321767 554306104 /nfs/dbraw/zinc/30/61/04/554306104.db2.gz FWKQTSMASGZPLC-UHFFFAOYSA-N 0 0 527.809 5.270 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000100340470 554324829 /nfs/dbraw/zinc/32/48/29/554324829.db2.gz RECOHYIBMHLQSI-ZMOGYAJESA-N 0 0 542.972 6.602 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000100343783 554329331 /nfs/dbraw/zinc/32/93/31/554329331.db2.gz UMMVOHFYVHREMC-NHDPSOOVSA-N 0 0 551.860 7.943 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4 ZINC000100344661 554329631 /nfs/dbraw/zinc/32/96/31/554329631.db2.gz QVUAISKDTLSGOL-OAHLLOKOSA-N 0 0 584.724 5.926 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 ZINC000100359962 554341538 /nfs/dbraw/zinc/34/15/38/554341538.db2.gz LZRMDWOOXIXAKV-AFUMVMLFSA-N 0 0 527.514 6.685 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000100362457 554346275 /nfs/dbraw/zinc/34/62/75/554346275.db2.gz LREMJMFACUMHIU-WSDLNYQXSA-N 0 0 573.396 6.321 40 5 KKBBRN Cc1cc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)ccc1[N+](=O)[O-] ZINC000100363546 554347984 /nfs/dbraw/zinc/34/79/84/554347984.db2.gz OYODNJNHUZTSSE-UHFFFAOYSA-N 0 0 578.160 6.331 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367796 554353839 /nfs/dbraw/zinc/35/38/39/554353839.db2.gz VYXNWHNWYZOFSY-XKZIYDEJSA-N 0 0 523.567 5.869 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000057313341 554354002 /nfs/dbraw/zinc/35/40/02/554354002.db2.gz OUQYIZDZRIOYAZ-DTQAZKPQSA-N 0 0 501.498 7.468 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000100367901 554354213 /nfs/dbraw/zinc/35/42/13/554354213.db2.gz CBWROWQHBKVWSX-IWIPYMOSSA-N 0 0 533.631 6.292 40 5 KKBBRN Cc1cc2nc(-c3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c(C)c1 ZINC000057315690 554354542 /nfs/dbraw/zinc/35/45/42/554354542.db2.gz QLGOARWAHLGHBR-UHFFFAOYSA-N 0 0 519.001 7.162 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000057315885 554354612 /nfs/dbraw/zinc/35/46/12/554354612.db2.gz HEUAGWKNAUAZKX-UHFFFAOYSA-N 0 0 528.609 7.024 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369820 554355859 /nfs/dbraw/zinc/35/58/59/554355859.db2.gz QQZGUKYMGLKHCP-ITYLOYPMSA-N 0 0 574.684 5.440 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059294061 554387518 /nfs/dbraw/zinc/38/75/18/554387518.db2.gz OSSMXRLOVMAMIB-UHFFFAOYSA-N 0 0 500.559 5.134 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331430 554388618 /nfs/dbraw/zinc/38/86/18/554388618.db2.gz XLBUDYCNNNOYRO-UHFFFAOYSA-N 0 0 517.636 5.989 40 5 KKBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331565 554389496 /nfs/dbraw/zinc/38/94/96/554389496.db2.gz KQLWEKOTCVMGSC-UHFFFAOYSA-N 0 0 517.636 5.276 40 5 KKBBRN O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([C@@H](Nc2ccccn2)n2nnc3ccccc32)c1 ZINC000059488694 554398150 /nfs/dbraw/zinc/39/81/50/554398150.db2.gz RUBGHPIEOJFACI-LJAQVGFWSA-N 0 0 505.582 5.778 40 5 KKBBRN O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([C@H](Nc2ccccn2)n2nnc3ccccc32)c1 ZINC000059488695 554398529 /nfs/dbraw/zinc/39/85/29/554398529.db2.gz RUBGHPIEOJFACI-GDLZYMKVSA-N 0 0 505.582 5.778 40 5 KKBBRN CC(C)(c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000100497114 554404611 /nfs/dbraw/zinc/40/46/11/554404611.db2.gz TYWNLYBMTOVIKR-UHFFFAOYSA-N 0 0 616.495 6.084 40 5 KKBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000100528150 554410376 /nfs/dbraw/zinc/41/03/76/554410376.db2.gz LWNUDGONUHHXRT-SANMLTNESA-N 0 0 553.958 5.325 40 5 KKBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000100528146 554410450 /nfs/dbraw/zinc/41/04/50/554410450.db2.gz LWNUDGONUHHXRT-AREMUKBSSA-N 0 0 553.958 5.325 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000059609147 554412210 /nfs/dbraw/zinc/41/22/10/554412210.db2.gz PCHURLWFAPCIFN-PMERELPUSA-N 0 0 539.588 5.982 40 5 KKBBRN O=C(CSc1nc(-c2ccccc2Cl)nn1C(=O)c1ccco1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000100568289 554420986 /nfs/dbraw/zinc/42/09/86/554420986.db2.gz GZQCMGYFAJMACJ-UHFFFAOYSA-N 0 0 518.338 5.172 40 5 KKBBRN CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 ZINC000059825762 554432203 /nfs/dbraw/zinc/43/22/03/554432203.db2.gz PVPLPKCOUBZIJV-UHFFFAOYSA-N 0 0 529.018 5.364 40 5 KKBBRN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000100612737 554432689 /nfs/dbraw/zinc/43/26/89/554432689.db2.gz JLVNVFZAVONSHQ-UHFFFAOYSA-N 0 0 516.526 6.530 40 5 KKBBRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3Cl)cc1)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000059891636 554472371 /nfs/dbraw/zinc/47/23/71/554472371.db2.gz AVJRZNWJPIPQHL-UHFFFAOYSA-N 0 0 591.359 6.534 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059953586 554484153 /nfs/dbraw/zinc/48/41/53/554484153.db2.gz AZTODMWRKOXUIM-UHFFFAOYSA-N 0 0 575.643 5.036 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000060016171 554486642 /nfs/dbraw/zinc/48/66/42/554486642.db2.gz QEBPMMZQDQCRDK-UHFFFAOYSA-N 0 0 571.655 5.957 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000060016167 554486662 /nfs/dbraw/zinc/48/66/62/554486662.db2.gz QWGFAJNXOXWQTL-UHFFFAOYSA-N 0 0 586.670 5.979 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@@H]1[C@H]([C@@H]3CC[C@H]1C3)[C@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000100872063 554500231 /nfs/dbraw/zinc/50/02/31/554500231.db2.gz RIYNVJGXIKZELI-DTJIFZNFSA-N 0 0 577.127 7.692 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000100926705 554524180 /nfs/dbraw/zinc/52/41/80/554524180.db2.gz ACTTVKYFPXTCSY-XLHSGLJYSA-N 0 0 526.976 5.964 40 5 KKBBRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000100928865 554525563 /nfs/dbraw/zinc/52/55/63/554525563.db2.gz HOJZDZIPKRIXHQ-ZDUSSCGKSA-N 0 0 544.998 6.632 40 5 KKBBRN CCCCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000100951656 554537563 /nfs/dbraw/zinc/53/75/63/554537563.db2.gz WNUSWKUQRMNRRP-PFBJBMPXSA-N 0 0 515.566 5.605 40 5 KKBBRN CCCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100951653 554537567 /nfs/dbraw/zinc/53/75/67/554537567.db2.gz WNUSWKUQRMNRRP-PVHODMMVSA-N 0 0 515.566 5.605 40 5 KKBBRN COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5c6ccccc6cc6ccccc65)c(=O)n42)c2ccccc2CC3)c1 ZINC000100957029 554540177 /nfs/dbraw/zinc/54/01/77/554540177.db2.gz CCSDKWCQISKQRV-LXKZMGPHSA-N 0 0 580.709 6.642 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)cccc1[N+](=O)[O-] ZINC000100957800 554540862 /nfs/dbraw/zinc/54/08/62/554540862.db2.gz HVTQHBZHSQFLAJ-UHFFFAOYSA-N 0 0 561.417 6.754 40 5 KKBBRN Cc1c2cc3c(cc2c(C)c2cc4c(cc12)C1c2ccccc2C4c2ccccc21)C1c2ccccc2C3c2ccccc21 ZINC000101011391 554558077 /nfs/dbraw/zinc/55/80/77/554558077.db2.gz HSHXSUGJPYWWFI-UHFFFAOYSA-N 0 0 558.724 10.584 40 5 KKBBRN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000101058258 554569899 /nfs/dbraw/zinc/56/98/99/554569899.db2.gz AKMMUQCPYUGEIO-UHFFFAOYSA-N 0 0 547.372 6.195 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000101064311 554571215 /nfs/dbraw/zinc/57/12/15/554571215.db2.gz OYDUHNVBJBYTNM-PBNWVGGGSA-N 0 0 620.459 6.339 40 5 KKBBRN O=Cc1cc(Br)ccc1OC(=O)c1ccc(Oc2ccc(Br)cc2C=O)c([N+](=O)[O-])c1 ZINC000101088221 554581193 /nfs/dbraw/zinc/58/11/93/554581193.db2.gz BJKORWDDSJJNDA-UHFFFAOYSA-N 0 0 549.127 5.756 40 5 KKBBRN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC ZINC000101103210 554639248 /nfs/dbraw/zinc/63/92/48/554639248.db2.gz LJNAHZURNZJVMY-UGLFBHLWSA-N 0 0 548.684 5.591 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000101114570 554642516 /nfs/dbraw/zinc/64/25/16/554642516.db2.gz DYGSLDJMGUBSDS-JJTYXIDGSA-N 0 0 506.558 5.701 40 5 KKBBRN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000101216005 554682282 /nfs/dbraw/zinc/68/22/82/554682282.db2.gz FSEBNBPMCFWJFQ-CCEZHUSRSA-N 0 0 544.615 5.666 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000101249653 554693780 /nfs/dbraw/zinc/69/37/80/554693780.db2.gz NOMWOLSPSJFZEY-HJOGWXRNSA-N 0 0 507.930 5.088 40 5 KKBBRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(O)c3c(c2)oc2cc(Cl)ccc2c3=O)CC1 ZINC000101369070 554744382 /nfs/dbraw/zinc/74/43/82/554744382.db2.gz IKPQHDMKUYPIRZ-GASCZTMLSA-N 0 0 501.963 5.542 40 5 KKBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101539879 554795755 /nfs/dbraw/zinc/79/57/55/554795755.db2.gz PWBCNOWNLUBNBZ-CUYJMHBOSA-N 0 0 582.407 5.075 40 5 KKBBRN CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191065 554894105 /nfs/dbraw/zinc/89/41/05/554894105.db2.gz WKIVEZKDGCBOBQ-WQDCPGLISA-N 0 0 597.671 6.649 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370332 554916117 /nfs/dbraw/zinc/91/61/17/554916117.db2.gz OSKNEXCNOWJMKO-RFMPLWHVSA-N 0 0 599.643 6.364 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370327 554916253 /nfs/dbraw/zinc/91/62/53/554916253.db2.gz OSKNEXCNOWJMKO-AXXJGTDDSA-N 0 0 599.643 6.364 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 ZINC000102449197 554931060 /nfs/dbraw/zinc/93/10/60/554931060.db2.gz XSUMLPOZXOCJPB-KCHLEUMXSA-N 0 0 555.612 6.163 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102556678 554964847 /nfs/dbraw/zinc/96/48/47/554964847.db2.gz PWBZMRUOQXZBRM-SDHOMARFSA-N 0 0 582.407 5.206 40 5 KKBBRN COc1ccc(C2=Nc3ccccc3N3[C@H]2O[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102580254 554972181 /nfs/dbraw/zinc/97/21/81/554972181.db2.gz CTECMCQWMGPNDU-NHKHRBQYSA-N 0 0 522.517 6.291 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000102581350 554972589 /nfs/dbraw/zinc/97/25/89/554972589.db2.gz NXPJYNXKNDCHIB-UHFFFAOYSA-N 0 0 558.215 6.296 40 5 KKBBRN CC[C@@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@H]5CC)c3[N+](=O)[O-])ccc21 ZINC000102586159 554973310 /nfs/dbraw/zinc/97/33/10/554973310.db2.gz RDCIJEUVXNEORQ-DHIUTWEWSA-N 0 0 539.639 8.917 40 5 KKBBRN CCOC(=O)c1c2cc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(OCC)cc3)ccc2oc1-c1ccccc1 ZINC000102628727 554988506 /nfs/dbraw/zinc/98/85/06/554988506.db2.gz ZKGMLBUWJASEMW-UHFFFAOYSA-N 0 0 614.632 6.619 40 5 KKBBRN COC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000102628990 554988798 /nfs/dbraw/zinc/98/87/98/554988798.db2.gz IIKJPTDBFHBPQQ-UHFFFAOYSA-N 0 0 573.377 5.234 40 5 KKBBRN O=c1c2cc(Oc3ccccc3)c3c(=O)n(-c4ccccc4)c(=O)c4cc(Oc5ccccc5)c(c(=O)n1-c1ccccc1)c2c43 ZINC000102629324 554989136 /nfs/dbraw/zinc/98/91/36/554989136.db2.gz WFLWHZNMMFBYGI-UHFFFAOYSA-N 0 0 602.602 6.629 40 5 KKBBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000102869545 555099154 /nfs/dbraw/zinc/09/91/54/555099154.db2.gz KNSZFXQHZICIMJ-QQMCDRLVSA-N 0 0 589.670 5.645 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102872834 555103417 /nfs/dbraw/zinc/10/34/17/555103417.db2.gz ZOBFGCHQGWUOAD-PVHODMMVSA-N 0 0 606.012 5.067 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887110 555118209 /nfs/dbraw/zinc/11/82/09/555118209.db2.gz ZTBXZOFYYWFZSK-FKBYEOEOSA-N 0 0 558.772 5.070 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000102889852 555124444 /nfs/dbraw/zinc/12/44/44/555124444.db2.gz MGXMYFRTHHVETP-OCBJUFRSSA-N 0 0 593.592 5.654 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102973818 555183586 /nfs/dbraw/zinc/18/35/86/555183586.db2.gz ODVUFQBIYPEETO-SSBOKUKZSA-N 0 0 579.565 5.182 40 5 KKBBRN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000102983939 555190025 /nfs/dbraw/zinc/19/00/25/555190025.db2.gz QUHKMDJLJIBVDI-XKBXTGQUSA-N 0 0 574.715 5.237 40 5 KKBBRN CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103526427 555428759 /nfs/dbraw/zinc/42/87/59/555428759.db2.gz CBXSBQLRTDYRMY-GYEXEWKGSA-N 0 0 585.616 5.975 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103541774 555438697 /nfs/dbraw/zinc/43/86/97/555438697.db2.gz GKACDUHCMJDVPI-HPNWTYDNSA-N 0 0 571.589 5.460 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000103542466 555439162 /nfs/dbraw/zinc/43/91/62/555439162.db2.gz PWVRXKYEONVPMP-YQQRZDPSSA-N 0 0 590.035 6.494 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000103545931 555440687 /nfs/dbraw/zinc/44/06/87/555440687.db2.gz XLAZJFUBGHRGIC-NLVFCZGTSA-N 0 0 583.644 6.458 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000103547679 555441641 /nfs/dbraw/zinc/44/16/41/555441641.db2.gz PNPZEWJZMSIVKO-CLWMVSBGSA-N 0 0 590.035 6.494 40 5 KKBBRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000103698167 555463911 /nfs/dbraw/zinc/46/39/11/555463911.db2.gz MAFNTTGKPRINDX-GASCZTMLSA-N 0 0 575.257 6.102 40 5 KKBBRN O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1)c1ccccc1 ZINC000103697084 555463943 /nfs/dbraw/zinc/46/39/43/555463943.db2.gz ICLQKQUGKORNEK-PMERELPUSA-N 0 0 566.042 7.132 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 ZINC000103753020 555468310 /nfs/dbraw/zinc/46/83/10/555468310.db2.gz CXNYGKIPZUHVTI-UHFFFAOYSA-N 0 0 595.753 6.893 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000103753062 555468356 /nfs/dbraw/zinc/46/83/56/555468356.db2.gz KHAUPIDJSHABFJ-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000103754598 555468802 /nfs/dbraw/zinc/46/88/02/555468802.db2.gz VWQGZHRMOBIGDD-UHFFFAOYSA-N 0 0 533.418 6.494 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000103754569 555468804 /nfs/dbraw/zinc/46/88/04/555468804.db2.gz JBBQNZOHQFSYGU-UHFFFAOYSA-N 0 0 543.424 5.950 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103754681 555468829 /nfs/dbraw/zinc/46/88/29/555468829.db2.gz WOGBXUCLWJKAEY-UHFFFAOYSA-N 0 0 543.424 5.950 40 5 KKBBRN CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757229 555470062 /nfs/dbraw/zinc/47/00/62/555470062.db2.gz CWMSTQAHTOWTMB-XIFFEERXSA-N 0 0 569.646 7.287 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757193 555470097 /nfs/dbraw/zinc/47/00/97/555470097.db2.gz UQHGAKMIBKALRW-XIFFEERXSA-N 0 0 569.646 7.287 40 5 KKBBRN CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C4OC(=O)CC(=O)O4)cc3[N+](=O)[O-])n2-c2ccccc2)cc1 ZINC000103763907 555472199 /nfs/dbraw/zinc/47/21/99/555472199.db2.gz JEADJRPKCUNDMI-UHFFFAOYSA-N 0 0 544.589 5.780 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103765717 555473210 /nfs/dbraw/zinc/47/32/10/555473210.db2.gz SSLMGSHOGJJUIO-UHFFFAOYSA-N 0 0 540.582 5.889 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 ZINC000103768975 555474340 /nfs/dbraw/zinc/47/43/40/555474340.db2.gz OAFXJHDNNUHSQU-HKBQPEDESA-N 0 0 551.693 7.517 40 5 KKBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 ZINC000103769915 555474637 /nfs/dbraw/zinc/47/46/37/555474637.db2.gz YEHXYTKWDULWTQ-UHFFFAOYSA-N 0 0 576.449 8.109 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789778 555479334 /nfs/dbraw/zinc/47/93/34/555479334.db2.gz YSECVLHJUTZBHV-SUAMDDGLSA-N 0 0 592.073 5.743 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC ZINC000103791327 555481099 /nfs/dbraw/zinc/48/10/99/555481099.db2.gz DIBRLBXSPNOYEX-JAYSWQADSA-N 0 0 604.482 5.007 40 5 KKBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000103817037 555482594 /nfs/dbraw/zinc/48/25/94/555482594.db2.gz SUPUIUGIRUVHHA-KEPJHFNWSA-N 0 0 608.657 5.989 40 5 KKBBRN O=c1/c(=C\c2cccc(Cl)c2Cl)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000103818143 555482602 /nfs/dbraw/zinc/48/26/02/555482602.db2.gz MHKYGHWNTCWVIM-MLJBDGAYSA-N 0 0 534.424 5.534 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000103816997 555482631 /nfs/dbraw/zinc/48/26/31/555482631.db2.gz IYSOSTGVDRBIJX-UQDCTOEPSA-N 0 0 551.649 5.857 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913935 560045539 /nfs/dbraw/zinc/04/55/39/560045539.db2.gz HWWNKOPGLSAYEI-LSGSBYTISA-N 0 0 535.769 9.162 40 5 biogenic,in-vitro KKBBRN 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O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105310693 571396091 /nfs/dbraw/zinc/39/60/91/571396091.db2.gz HJHMPDFLGHFWOJ-UHFFFAOYSA-N 0 0 537.985 5.489 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000105311068 571396433 /nfs/dbraw/zinc/39/64/33/571396433.db2.gz UWRDUOBKASJDHV-UHFFFAOYSA-N 0 0 531.594 5.398 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)nc2c1 ZINC000105311070 571396535 /nfs/dbraw/zinc/39/65/35/571396535.db2.gz CMHQLOSYLGRXJK-UHFFFAOYSA-N 0 0 528.546 6.058 40 5 KKBBRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105311105 571396651 /nfs/dbraw/zinc/39/66/51/571396651.db2.gz QTGCTHAABSHEIV-UHFFFAOYSA-N 0 0 537.985 5.489 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000105312323 571397237 /nfs/dbraw/zinc/39/72/37/571397237.db2.gz SDAUIGXCASHXJS-UHFFFAOYSA-N 0 0 536.013 6.092 40 5 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ZINC000105354815 571404172 /nfs/dbraw/zinc/40/41/72/571404172.db2.gz LLWPTWCERMUPPE-FMIVXFBMSA-N 0 0 546.967 5.716 40 5 KKBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1 ZINC000105394634 571404698 /nfs/dbraw/zinc/40/46/98/571404698.db2.gz WOBVUSOKAALKRW-NTEUORMPSA-N 0 0 547.036 6.077 40 5 KKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105465580 571404924 /nfs/dbraw/zinc/40/49/24/571404924.db2.gz UBXVFBIVYBCROR-UHFFFAOYSA-N 0 0 532.969 5.677 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105497223 571405468 /nfs/dbraw/zinc/40/54/68/571405468.db2.gz MRAJUQJRLPJOKT-JLKMOJGBSA-N 0 0 564.663 5.122 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499381 571406195 /nfs/dbraw/zinc/40/61/95/571406195.db2.gz CZQFHDFAVGSJGU-HDFSHUSISA-N 0 0 550.705 5.827 40 5 KKBBRN CCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 ZINC000105513412 571406909 /nfs/dbraw/zinc/40/69/09/571406909.db2.gz YYXQXAHVKXATHR-LGGPFLRQSA-N 0 0 610.135 8.852 40 5 KKBBRN Cc1cccc2c1N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)c1ssc(=S)c1-2 ZINC000105513155 571406928 /nfs/dbraw/zinc/40/69/28/571406928.db2.gz PJVXCQBXQPPNHL-UHFFFAOYSA-N 0 0 519.094 8.186 40 5 KKBBRN CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000105513353 571406985 /nfs/dbraw/zinc/40/69/85/571406985.db2.gz ARESSWOYTMYQPJ-UHFFFAOYSA-N 0 0 564.685 8.820 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222863779 571407140 /nfs/dbraw/zinc/40/71/40/571407140.db2.gz MCCQVQCNWJVWHX-WJOKGBTCSA-N 0 0 695.194 5.155 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222864458 571407306 /nfs/dbraw/zinc/40/73/06/571407306.db2.gz 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/nfs/dbraw/zinc/41/01/03/571410103.db2.gz GRKVKYDAHGSZLD-CMTIAEDTSA-N 0 0 604.413 5.666 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000106185702 571411482 /nfs/dbraw/zinc/41/14/82/571411482.db2.gz KCCVNLVPUVDSAF-UHFFFAOYSA-N 0 0 561.616 5.325 40 5 KKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106345485 571412120 /nfs/dbraw/zinc/41/21/20/571412120.db2.gz ZQIIYFRVQYFGOG-UHFFFAOYSA-N 0 0 555.399 6.541 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222911707 571412240 /nfs/dbraw/zinc/41/22/40/571412240.db2.gz RUDIIUORDCAGHL-IBGZPJMESA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106379013 571412263 /nfs/dbraw/zinc/41/22/63/571412263.db2.gz ZCZBGWICHNGGRN-UHFFFAOYSA-N 0 0 568.833 5.162 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222924993 571413587 /nfs/dbraw/zinc/41/35/87/571413587.db2.gz KJKDGTGOSHUBLM-AREMUKBSSA-N 0 0 645.178 5.135 40 5 KKBBRN O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106693373 571414090 /nfs/dbraw/zinc/41/40/90/571414090.db2.gz FXHUFTYIHYVDHZ-UHFFFAOYSA-N 0 0 527.727 5.240 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106701839 571414607 /nfs/dbraw/zinc/41/46/07/571414607.db2.gz TZAGYZINWHYZGP-MYYYXRDXSA-N 0 0 504.564 6.117 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106702190 571414641 /nfs/dbraw/zinc/41/46/41/571414641.db2.gz DMYGGEBNVCBQIA-FMCGGJTJSA-N 0 0 521.507 5.849 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000106703254 571414747 /nfs/dbraw/zinc/41/47/47/571414747.db2.gz NXEXOLNYWYQZCN-UUYOSTAYSA-N 0 0 514.481 6.951 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106703410 571414817 /nfs/dbraw/zinc/41/48/17/571414817.db2.gz KNUMOWVWSIESGX-CFRMEGHHSA-N 0 0 533.562 5.166 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000106703690 571414841 /nfs/dbraw/zinc/41/48/41/571414841.db2.gz VROSVIOXXFTAQX-YVNNLAQVSA-N 0 0 519.491 5.267 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 ZINC000106711495 571415273 /nfs/dbraw/zinc/41/52/73/571415273.db2.gz RGTNEWFHVQYMKZ-XKZIYDEJSA-N 0 0 568.405 5.611 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106716584 571415654 /nfs/dbraw/zinc/41/56/54/571415654.db2.gz WQOVMYHOGVYAAY-NHDPSOOVSA-N 0 0 546.388 6.724 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 ZINC000106723248 571416073 /nfs/dbraw/zinc/41/60/73/571416073.db2.gz XSWBJSSETDPZHJ-JAIQZWGSSA-N 0 0 515.341 5.862 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106725423 571416277 /nfs/dbraw/zinc/41/62/77/571416277.db2.gz DWIUOQXPOKLGQH-GRSHGNNSSA-N 0 0 519.760 6.507 40 5 KKBBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2OC)cc1 ZINC000106728106 571416461 /nfs/dbraw/zinc/41/64/61/571416461.db2.gz UICDAIDOHCPIBX-MYYYXRDXSA-N 0 0 547.589 5.420 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000106728915 571416587 /nfs/dbraw/zinc/41/65/87/571416587.db2.gz QRTIOVARYUEQAM-YSMPRRRNSA-N 0 0 561.616 5.981 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222952218 571416642 /nfs/dbraw/zinc/41/66/42/571416642.db2.gz FPIUAOGRFQPTGB-IBGZPJMESA-N 0 0 621.543 5.429 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106736566 571416873 /nfs/dbraw/zinc/41/68/73/571416873.db2.gz HUVSCMXGSRYUIN-JJFYIABZSA-N 0 0 562.984 5.700 40 5 KKBBRN O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000106739117 571417000 /nfs/dbraw/zinc/41/70/00/571417000.db2.gz GFNGVJZRXOGVEO-NHDPSOOVSA-N 0 0 529.357 6.357 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106739108 571417090 /nfs/dbraw/zinc/41/70/90/571417090.db2.gz CDOZOPMVDJXXFY-OYKKKHCWSA-N 0 0 535.534 5.717 40 5 KKBBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000106741004 571417258 /nfs/dbraw/zinc/41/72/58/571417258.db2.gz CFZJEIGCVKOVJM-CHHVJCJISA-N 0 0 528.178 5.365 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000106740893 571417270 /nfs/dbraw/zinc/41/72/70/571417270.db2.gz OQKBEQUTDBEJJU-VEILYXNESA-N 0 0 572.664 7.164 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106740589 571417277 /nfs/dbraw/zinc/41/72/77/571417277.db2.gz SNAXTIYLHCXQTD-NHDPSOOVSA-N 0 0 552.477 5.449 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000106740513 571417289 /nfs/dbraw/zinc/41/72/89/571417289.db2.gz YDGYVAJIFBKUQW-XKZIYDEJSA-N 0 0 524.938 5.713 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106745205 571417339 /nfs/dbraw/zinc/41/73/39/571417339.db2.gz UPUWIANNPNFQLY-UCQKPKSFSA-N 0 0 549.517 5.357 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000106745263 571417386 /nfs/dbraw/zinc/41/73/86/571417386.db2.gz SFEIHCAJCLQEMQ-IMRQLAEWSA-N 0 0 562.644 6.595 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000106743586 571417397 /nfs/dbraw/zinc/41/73/97/571417397.db2.gz FONIWTQUUZEFJY-CFRMEGHHSA-N 0 0 559.427 7.116 40 5 KKBBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106745681 571417478 /nfs/dbraw/zinc/41/74/78/571417478.db2.gz YOBFCCJJHMVGSP-UCQKPKSFSA-N 0 0 503.536 5.157 40 5 KKBBRN CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000106745607 571417506 /nfs/dbraw/zinc/41/75/06/571417506.db2.gz WROJRGJOWRBIGM-UNOMPAQXSA-N 0 0 568.389 5.623 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106750868 571417518 /nfs/dbraw/zinc/41/75/18/571417518.db2.gz VTGVEHGHKAEIRM-MTJSOVHGSA-N 0 0 603.394 6.022 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222964960 571417975 /nfs/dbraw/zinc/41/79/75/571417975.db2.gz GETDDHIGFUMEGC-IBGZPJMESA-N 0 0 700.041 6.399 40 5 KKBBRN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000107665468 571420657 /nfs/dbraw/zinc/42/06/57/571420657.db2.gz OXFDLDCFRQQABE-UHFFFAOYSA-N 0 0 500.536 5.542 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000107661227 571420689 /nfs/dbraw/zinc/42/06/89/571420689.db2.gz YGJZZFMOGMWOHX-ITIZVALFSA-N 0 0 598.464 5.582 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223004603 571420883 /nfs/dbraw/zinc/42/08/83/571420883.db2.gz FRTLLUBXCIFTQO-IBGZPJMESA-N 0 0 700.041 6.399 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl ZINC000108132985 571422493 /nfs/dbraw/zinc/42/24/93/571422493.db2.gz QDPCJXYMLHXVJB-UHFFFAOYSA-N 0 0 562.995 5.686 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000108282534 571423044 /nfs/dbraw/zinc/42/30/44/571423044.db2.gz CXTCJZZVJSGEGO-MIUGUJGPSA-N 0 0 617.680 5.071 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2c(Cl)cccc2Cl)cc1 ZINC000109979254 571430444 /nfs/dbraw/zinc/43/04/44/571430444.db2.gz XSELNUNGSURCEN-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000110332753 571431054 /nfs/dbraw/zinc/43/10/54/571431054.db2.gz BNHHOFSQFSOALP-QHHAFSJGSA-N 0 0 533.359 5.157 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000110384775 571431239 /nfs/dbraw/zinc/43/12/39/571431239.db2.gz HFLXZVDRGFTFOL-UHFFFAOYSA-N 0 0 547.589 5.538 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465368 571432397 /nfs/dbraw/zinc/43/23/97/571432397.db2.gz OMVHOSZSDFSZQN-ZHGFHMGHSA-N 0 0 607.644 5.112 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465372 571432404 /nfs/dbraw/zinc/43/24/04/571432404.db2.gz LPSVDJHVFZFZFM-KUSDHMTMSA-N 0 0 605.672 5.721 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465292 571432476 /nfs/dbraw/zinc/43/24/76/571432476.db2.gz 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000111469685 571432809 /nfs/dbraw/zinc/43/28/09/571432809.db2.gz SRYZQXWUNABTLQ-LLXISZFLSA-N 0 0 619.699 6.227 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223113673 571432818 /nfs/dbraw/zinc/43/28/18/571432818.db2.gz QOYODXAKCMKOMQ-QFIPXVFZSA-N 0 0 645.178 5.135 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000111469638 571432831 /nfs/dbraw/zinc/43/28/31/571432831.db2.gz GMXAGAZFMPLKPR-FWESEHMYSA-N 0 0 609.635 5.551 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000111469688 571432875 /nfs/dbraw/zinc/43/28/75/571432875.db2.gz SRYZQXWUNABTLQ-PLNPHXOGSA-N 0 0 619.699 6.227 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000111470039 571432911 /nfs/dbraw/zinc/43/29/11/571432911.db2.gz HYCIXQABBCSLTM-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000111469847 571432915 /nfs/dbraw/zinc/43/29/15/571432915.db2.gz HPGUUTJVIMWQEU-ZHGFHMGHSA-N 0 0 607.644 5.112 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 ZINC000111472893 571433275 /nfs/dbraw/zinc/43/32/75/571433275.db2.gz LKCNKTPUNKDXKN-UNDLXJOSSA-N 0 0 606.660 5.359 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 ZINC000112229857 571434000 /nfs/dbraw/zinc/43/40/00/571434000.db2.gz NQJYYQSNBYUFFK-UHFFFAOYSA-N 0 0 522.936 5.257 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)sc2c1 ZINC000112230985 571434130 /nfs/dbraw/zinc/43/41/30/571434130.db2.gz HRFAHYKEDNVRJG-UHFFFAOYSA-N 0 0 533.635 5.143 40 5 KKBBRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000112237742 571434852 /nfs/dbraw/zinc/43/48/52/571434852.db2.gz MDVUFAUYLVJBSE-UHFFFAOYSA-N 0 0 566.039 5.582 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112239153 571434965 /nfs/dbraw/zinc/43/49/65/571434965.db2.gz UTLJXNSKNVZLSP-UHFFFAOYSA-N 0 0 629.570 5.187 40 5 KKBBRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 ZINC000112240678 571435164 /nfs/dbraw/zinc/43/51/64/571435164.db2.gz MYYAPMZLVNAWBQ-UHFFFAOYSA-N 0 0 552.012 5.328 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000112242875 571435374 /nfs/dbraw/zinc/43/53/74/571435374.db2.gz DXWJXJLNJKLLRR-GOSISDBHSA-N 0 0 559.648 5.880 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000112252569 571436500 /nfs/dbraw/zinc/43/65/00/571436500.db2.gz PJCXETQYGFNSQT-JVWAILMASA-N 0 0 619.493 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571452091 /nfs/dbraw/zinc/45/20/91/571452091.db2.gz KSOOSWNAGYSSGT-UHFFFAOYSA-N 0 0 527.533 5.831 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000139014789 571452755 /nfs/dbraw/zinc/45/27/55/571452755.db2.gz XLMWDPWHKIJOAR-HXUWFJFHSA-N 0 0 525.517 5.075 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223304776 571458152 /nfs/dbraw/zinc/45/81/52/571458152.db2.gz WILASZWLALVIKG-NRFANRHFSA-N 0 0 665.596 5.748 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000150343408 571458984 /nfs/dbraw/zinc/45/89/84/571458984.db2.gz DCWVYNINOMSNGW-PNJIRECESA-N 0 0 681.542 7.546 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223335216 571462019 /nfs/dbraw/zinc/46/20/19/571462019.db2.gz RTNNIJBJJDVOQH-HHHXNRCGSA-N 0 0 645.178 5.483 40 5 KKBBRN O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000150361493 571463897 /nfs/dbraw/zinc/46/38/97/571463897.db2.gz IJTANGJQVDVKFH-WULKOTHYSA-N 0 0 689.761 7.450 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150363041 571464212 /nfs/dbraw/zinc/46/42/12/571464212.db2.gz CUMLXZZKDSPGAI-KMCFWPMWSA-N 0 0 698.595 6.990 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150363260 571464227 /nfs/dbraw/zinc/46/42/27/571464227.db2.gz MJNAUSZPQJKLMY-ZSWKDXAVSA-N 0 0 700.523 5.595 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000150363058 571464235 /nfs/dbraw/zinc/46/42/35/571464235.db2.gz PDDQINPLBQOQMW-PRLWALMFSA-N 0 0 659.493 5.944 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150363270 571464251 /nfs/dbraw/zinc/46/42/51/571464251.db2.gz FQORPOTYDJXCGX-MJASDKGPSA-N 0 0 661.692 5.152 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150363756 571464367 /nfs/dbraw/zinc/46/43/67/571464367.db2.gz UZCUMVIVBUDTQD-QYIOYSLNSA-N 0 0 635.654 5.141 40 5 KKBBRN O=[N+]([O-])c1cccc(C2SCCCCCCCCCCSC(c3cccc([N+](=O)[O-])c3)SCCCCCCCCCCS2)c1 ZINC000150371855 571465886 /nfs/dbraw/zinc/46/58/86/571465886.db2.gz VETUGTUFPGOBHC-UHFFFAOYSA-N 0 0 679.052 12.388 40 5 KKBBRN O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl ZINC000150377880 571466673 /nfs/dbraw/zinc/46/66/73/571466673.db2.gz ZKRPKVLLGLFBDB-IMSYWVGJSA-N 0 0 773.591 10.872 40 5 KKBBRN CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@@H](CC(C)C)C(=O)OCC)O2 ZINC000150382657 571467304 /nfs/dbraw/zinc/46/73/04/571467304.db2.gz XOGADTAGGCEDNQ-VXKWHMMOSA-N 0 0 709.753 5.286 40 5 KKBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@@H](CC(C)C)C(=O)OCC)O2 ZINC000150382656 571467361 /nfs/dbraw/zinc/46/73/61/571467361.db2.gz XOGADTAGGCEDNQ-YADHBBJMSA-N 0 0 709.753 5.286 40 5 KKBBRN CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] ZINC000150383092 571467602 /nfs/dbraw/zinc/46/76/02/571467602.db2.gz ZQGXUHFEYQBNHR-ZPGRZCPFSA-N 0 0 776.981 7.471 40 5 KKBBRN O=C(N[C@@H](Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000150383437 571467799 /nfs/dbraw/zinc/46/77/99/571467799.db2.gz MSQPBOAVAXPHPV-HKBQPEDESA-N 0 0 734.630 5.934 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223379688 571468202 /nfs/dbraw/zinc/46/82/02/571468202.db2.gz RSTBWDRPYBNXTO-MHZLTWQESA-N 0 0 645.178 5.483 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000150385000 571468580 /nfs/dbraw/zinc/46/85/80/571468580.db2.gz WDVYVIZWDOKXJH-FBCYGCLPSA-N 0 0 713.109 9.479 40 5 KKBBRN CO[C@@H]1C[C@H](C)Cc2c(=O)c(cc3nc4ccc(Br)cc4oc2-3)NC(=O)/C(C)=C\C=C/[C@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H]1O ZINC000150388492 571470948 /nfs/dbraw/zinc/47/09/48/571470948.db2.gz GRRRVBFXHGBGOJ-MTVIAYAISA-N 0 0 698.611 5.516 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000150389619 571471862 /nfs/dbraw/zinc/47/18/62/571471862.db2.gz KOWDBFUEJKSNQR-BUDNTJSZSA-N 0 0 694.560 5.065 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223402346 571471913 /nfs/dbraw/zinc/47/19/13/571471913.db2.gz AAMXNHWPVLWCFE-FQEVSTJZSA-N 0 0 700.041 6.401 40 5 KKBBRN 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ZINC000150416529 571485919 /nfs/dbraw/zinc/48/59/19/571485919.db2.gz PGBMRVNWWUOCNX-PIXWUVMMSA-N 0 0 669.634 5.535 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150416526 571485955 /nfs/dbraw/zinc/48/59/55/571485955.db2.gz PGBMRVNWWUOCNX-JBDHCHCMSA-N 0 0 669.634 5.535 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)o1 ZINC000224146586 571485985 /nfs/dbraw/zinc/48/59/85/571485985.db2.gz HHDGKRXRCXNLAO-IAGBNBIYSA-N 0 0 618.159 7.571 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC ZINC000150416956 571486173 /nfs/dbraw/zinc/48/61/73/571486173.db2.gz LRAGYXRGNKCFFK-XGLZOBASSA-N 0 0 718.504 6.289 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000150418860 571486672 /nfs/dbraw/zinc/48/66/72/571486672.db2.gz 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223530961 571495661 /nfs/dbraw/zinc/49/56/61/571495661.db2.gz RHVFECYNXRQJDH-FNZWTVRRSA-N 0 0 554.043 5.190 40 5 KKBBRN CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150441543 571498551 /nfs/dbraw/zinc/49/85/51/571498551.db2.gz FXZOKGRNFKHJRE-IARZGTGTSA-N 0 0 715.693 5.207 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223549311 571499394 /nfs/dbraw/zinc/49/93/94/571499394.db2.gz ADFVZEVXOHRREK-SANMLTNESA-N 0 0 635.570 5.819 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224219089 571499592 /nfs/dbraw/zinc/49/95/92/571499592.db2.gz JNXPYZPRVNAUIT-MGBGTMOVSA-N 0 0 693.222 5.927 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224232174 571502487 /nfs/dbraw/zinc/50/24/87/571502487.db2.gz CHIOVEUWMAFJQI-YTTGMZPUSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223563735 571502666 /nfs/dbraw/zinc/50/26/66/571502666.db2.gz PMXCUUBWRMPDJC-OOXUFLSTSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223568256 571503843 /nfs/dbraw/zinc/50/38/43/571503843.db2.gz UERJVTQZCKVEHQ-INJOXJOKSA-N 0 0 741.694 6.969 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 ZINC000150462561 571506733 /nfs/dbraw/zinc/50/67/33/571506733.db2.gz PUQCFEAIWMHELY-UUYOSTAYSA-N 0 0 651.276 6.777 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150466397 571507948 /nfs/dbraw/zinc/50/79/48/571507948.db2.gz LPAFENXRAJYTDQ-QFEZKATASA-N 0 0 654.336 8.089 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223601610 571511273 /nfs/dbraw/zinc/51/12/73/571511273.db2.gz ISKSDLFVXZHDON-IDISGSTGSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223608941 571513055 /nfs/dbraw/zinc/51/30/55/571513055.db2.gz UPLWZZVITXUMJT-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224295421 571515666 /nfs/dbraw/zinc/51/56/66/571515666.db2.gz PAUICOPDJYBFRD-WJOKGBTCSA-N 0 0 632.714 5.096 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000150485833 571516015 /nfs/dbraw/zinc/51/60/15/571516015.db2.gz SXSKLTHTGJMUDW-UHFFFAOYSA-N 0 0 630.192 7.282 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223634349 571517638 /nfs/dbraw/zinc/51/76/38/571517638.db2.gz 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224372275 571532342 /nfs/dbraw/zinc/53/23/42/571532342.db2.gz PQLXOFIDCPBLAG-AREMUKBSSA-N 0 0 584.536 5.757 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n31)c1ccccc1CC2 ZINC000163196214 571532773 /nfs/dbraw/zinc/53/27/73/571532773.db2.gz VTMGCTDMMFBQAL-KFOJKGMOSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000163205305 571532938 /nfs/dbraw/zinc/53/29/38/571532938.db2.gz MTWNWZBYMNHTJJ-UDHMSBBDSA-N 0 0 680.580 6.577 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000163214782 571533172 /nfs/dbraw/zinc/53/31/72/571533172.db2.gz BDBIIRFRFYFVBG-OBDCIHEFSA-N 0 0 640.515 6.258 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000163219682 571533219 /nfs/dbraw/zinc/53/32/19/571533219.db2.gz QKYNQOUUDLLUIS-KEQCBNTKSA-N 0 0 638.496 5.046 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000163227029 571533675 /nfs/dbraw/zinc/53/36/75/571533675.db2.gz BSLJILFSUYVXTG-XGLZOBASSA-N 0 0 652.523 5.354 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163258578 571534348 /nfs/dbraw/zinc/53/43/48/571534348.db2.gz CAORXOIZPPJOMW-YEFJUXFDSA-N 0 0 712.831 8.360 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267340 571534437 /nfs/dbraw/zinc/53/44/37/571534437.db2.gz BOCZFTUSJREPJV-QQMBNGEASA-N 0 0 670.541 6.267 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163275151 571534633 /nfs/dbraw/zinc/53/46/33/571534633.db2.gz TYEXBQOAORUBOM-HAWPWTPLSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163279204 571534801 /nfs/dbraw/zinc/53/48/01/571534801.db2.gz NWSILEQGKQBGAV-MXJIGVOESA-N 0 0 661.736 5.832 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163301364 571535093 /nfs/dbraw/zinc/53/50/93/571535093.db2.gz GUVKSNNREQDAQM-FVUNBJOLSA-N 0 0 632.654 5.936 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2=N1 ZINC000163454439 571535666 /nfs/dbraw/zinc/53/56/66/571535666.db2.gz FORXFDOQFUELIE-MRWVFDTMSA-N 0 0 656.717 6.311 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224389177 571536038 /nfs/dbraw/zinc/53/60/38/571536038.db2.gz AZVYMBQAOYERCI-MGBGTMOVSA-N 0 0 737.673 6.036 40 5 KKBBRN O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12)c1ccccc1 ZINC000163488118 571536094 /nfs/dbraw/zinc/53/60/94/571536094.db2.gz CEIGETLNAZZYRO-UUWRZZSWSA-N 0 0 743.502 9.719 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224393069 571536712 /nfs/dbraw/zinc/53/67/12/571536712.db2.gz GKEHTRDHAVUHNY-YTTGMZPUSA-N 0 0 772.118 6.689 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224393650 571536780 /nfs/dbraw/zinc/53/67/80/571536780.db2.gz IOHRUWLOFRQFDA-FQEVSTJZSA-N 0 0 621.543 5.286 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163623698 571538061 /nfs/dbraw/zinc/53/80/61/571538061.db2.gz OPWVBYAFYGXTBG-IGSWSUAKSA-N 0 0 722.923 6.244 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163625462 571538159 /nfs/dbraw/zinc/53/81/59/571538159.db2.gz AIOICQLTCWOGFC-MFUBYVTQSA-N 0 0 740.913 6.383 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000163629077 571538189 /nfs/dbraw/zinc/53/81/89/571538189.db2.gz GQSOGVUOAGBJHJ-VIYYDIFJSA-N 0 0 755.556 5.195 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163640150 571538637 /nfs/dbraw/zinc/53/86/37/571538637.db2.gz ZYMICKXRTTZUGT-RISWYLRJSA-N 0 0 722.525 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000163649046 571539191 /nfs/dbraw/zinc/53/91/91/571539191.db2.gz DYPHDNFMAVESMA-QUNTYYFUSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000163667124 571539904 /nfs/dbraw/zinc/53/99/04/571539904.db2.gz FFNKDRUFSCOFDF-SZYVSPPHSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163678312 571540023 /nfs/dbraw/zinc/54/00/23/571540023.db2.gz QHWDVWRSBZKAQI-ZFWDJNJRSA-N 0 0 729.949 5.832 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000163673107 571540107 /nfs/dbraw/zinc/54/01/07/571540107.db2.gz IYEBMDSZKIPWAG-PLQLAVCSSA-N 0 0 726.811 6.848 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163704785 571540949 /nfs/dbraw/zinc/54/09/49/571540949.db2.gz BXBFONXVWSSUIW-PRLWALMFSA-N 0 0 680.602 5.770 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223771959 571541617 /nfs/dbraw/zinc/54/16/17/571541617.db2.gz XVLLAVHWICLEDR-SANMLTNESA-N 0 0 679.623 6.138 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163745499 571542545 /nfs/dbraw/zinc/54/25/45/571542545.db2.gz MRWAYQKSJVOUOX-VFHSXKMWSA-N 0 0 746.845 7.993 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223778843 571542805 /nfs/dbraw/zinc/54/28/05/571542805.db2.gz MFIOJUALBKJLBQ-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN O=c1/c(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163770145 571543168 /nfs/dbraw/zinc/54/31/68/571543168.db2.gz RZKPEMCDYVFLKX-YNUDOMLISA-N 0 0 798.340 8.638 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000163916558 571543438 /nfs/dbraw/zinc/54/34/38/571543438.db2.gz HZZOZBJDYCMCDW-MFUBYVTQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000164176461 571544267 /nfs/dbraw/zinc/54/42/67/571544267.db2.gz FSVPNTZFBLBFMD-PRLWALMFSA-N 0 0 638.098 5.417 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224430950 571544317 /nfs/dbraw/zinc/54/43/17/571544317.db2.gz WKVPYASKZJFYSN-HKBQPEDESA-N 0 0 646.741 5.484 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)sc2=N1 ZINC000164186931 571544581 /nfs/dbraw/zinc/54/45/81/571544581.db2.gz ZYKMPHRTJINMBU-PLMBTIQCSA-N 0 0 674.688 5.204 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000164200907 571544953 /nfs/dbraw/zinc/54/49/53/571544953.db2.gz DEDBPNHILXOGEQ-TZUCAZQYSA-N 0 0 895.510 6.292 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164200296 571545011 /nfs/dbraw/zinc/54/50/11/571545011.db2.gz ZESXQLOWCUWMGV-FZEVDNDPSA-N 0 0 801.510 6.608 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224438501 571546087 /nfs/dbraw/zinc/54/60/87/571546087.db2.gz HUXXTLKELIWQQA-XIFFEERXSA-N 0 0 690.794 5.801 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223802587 571546807 /nfs/dbraw/zinc/54/68/07/571546807.db2.gz RJBQAXNEXUGOHC-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164509754 571548887 /nfs/dbraw/zinc/54/88/87/571548887.db2.gz GYQQYDOAZUHOHG-PLNPHXOGSA-N 0 0 696.579 6.185 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223805172 571548936 /nfs/dbraw/zinc/54/89/36/571548936.db2.gz XZDBLHBAMWPDPM-JIPXPUAJSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1 ZINC000164526412 571549245 /nfs/dbraw/zinc/54/92/45/571549245.db2.gz YISMNTBCKMEYIX-MDNSZFDISA-N 0 0 681.726 6.216 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164524924 571549260 /nfs/dbraw/zinc/54/92/60/571549260.db2.gz YZNCEUONRJMCDF-PLNPHXOGSA-N 0 0 773.605 6.036 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164542256 571549691 /nfs/dbraw/zinc/54/96/91/571549691.db2.gz ZVSCMHZPSDVBHJ-FUZBLHKMSA-N 0 0 691.762 5.830 40 5 KKBBRN Cc1cc(Cl)cc(Cl)c1CNc1ccc(S(=O)(=O)c2ccc(NCc3c(C)cc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000164702754 571550538 /nfs/dbraw/zinc/55/05/38/571550538.db2.gz VRDNZGDLHXWKQW-UHFFFAOYSA-N 0 0 684.385 8.790 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223809392 571550789 /nfs/dbraw/zinc/55/07/89/571550789.db2.gz BNZOVVIGMPCDSZ-OGVWKLGRSA-N 0 0 786.145 7.078 40 5 KKBBRN O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)S[C@]23c2ccccc2C(c2cccc4ccccc42)=NN3c2ccccc2)c([N+](=O)[O-])c1 ZINC000164774014 571551112 /nfs/dbraw/zinc/55/11/12/571551112.db2.gz YPCSXULFMICNDR-YTTGMZPUSA-N 0 0 640.603 8.168 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224460998 571551216 /nfs/dbraw/zinc/55/12/16/571551216.db2.gz NYZKMTHACWYHSI-RUZDIDTESA-N 0 0 552.469 5.455 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223813797 571552973 /nfs/dbraw/zinc/55/29/73/571552973.db2.gz BPVABDCULGWKRQ-AREMUKBSSA-N 0 0 663.168 5.623 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000169616968 571553730 /nfs/dbraw/zinc/55/37/30/571553730.db2.gz CENOFRZMXFMADN-BNYMOMJGSA-N 0 0 676.725 7.109 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223817403 571554444 /nfs/dbraw/zinc/55/44/44/571554444.db2.gz QDPXPPOYZRQAAU-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223818511 571554685 /nfs/dbraw/zinc/55/46/85/571554685.db2.gz KSISPKGJTKTVQM-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224479764 571555747 /nfs/dbraw/zinc/55/57/47/571555747.db2.gz MTBKYQPAMXOMIB-ZEQRLZLVSA-N 0 0 506.971 6.089 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224485216 571557190 /nfs/dbraw/zinc/55/71/90/571557190.db2.gz YQWCFCOMCOKHCF-OAQYLSRUSA-N 0 0 538.428 5.155 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224494829 571559918 /nfs/dbraw/zinc/55/99/18/571559918.db2.gz IJHGKNOWFWUNLR-SANMLTNESA-N 0 0 651.569 5.357 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224497940 571560690 /nfs/dbraw/zinc/56/06/90/571560690.db2.gz LLOIXEYBHZAZDG-RUZDIDTESA-N 0 0 528.436 5.610 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223855754 571562378 /nfs/dbraw/zinc/56/23/78/571562378.db2.gz RHYYLDDNVRUECO-HRFSGMKKSA-N 0 0 588.557 6.690 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223855810 571562420 /nfs/dbraw/zinc/56/24/20/571562420.db2.gz RHYYLDDNVRUECO-DCFHFQCYSA-N 0 0 588.557 6.690 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223857443 571562717 /nfs/dbraw/zinc/56/27/17/571562717.db2.gz NRBZDWPBZABNTP-QFIPXVFZSA-N 0 0 526.486 5.859 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 ZINC000224507054 571562837 /nfs/dbraw/zinc/56/28/37/571562837.db2.gz VUAJIIRKHUROQR-DHIUTWEWSA-N 0 0 520.412 5.720 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224507418 571562962 /nfs/dbraw/zinc/56/29/62/571562962.db2.gz UKZNWKTWYMUZCW-GOTSBHOMSA-N 0 0 520.412 5.720 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223862728 571563874 /nfs/dbraw/zinc/56/38/74/571563874.db2.gz WRRNZRGAQRDUCU-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197746546 571564362 /nfs/dbraw/zinc/56/43/62/571564362.db2.gz YYNLVZCYNOTWAS-KEQCBNTKSA-N 0 0 558.457 5.298 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000197764166 571564513 /nfs/dbraw/zinc/56/45/13/571564513.db2.gz KWANZYOCEDMWIM-XMMPIXPASA-N 0 0 593.735 5.804 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000197764245 571564520 /nfs/dbraw/zinc/56/45/20/571564520.db2.gz IGUKVYDFFBOVBI-QGZVFWFLSA-N 0 0 565.681 5.168 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197764429 571564605 /nfs/dbraw/zinc/56/46/05/571564605.db2.gz MHHBJWWOIMXAFG-QFIPXVFZSA-N 0 0 610.678 5.096 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000197824372 571564912 /nfs/dbraw/zinc/56/49/12/571564912.db2.gz DFYBKGSWVICSKI-UHFFFAOYSA-N 0 0 659.142 5.508 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000197884137 571565868 /nfs/dbraw/zinc/56/58/68/571565868.db2.gz AVCWZQXVWUPYMQ-XMMPIXPASA-N 0 0 593.735 5.804 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000197884143 571565902 /nfs/dbraw/zinc/56/59/02/571565902.db2.gz AVCWZQXVWUPYMQ-DEOSSOPVSA-N 0 0 593.735 5.804 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223879138 571566824 /nfs/dbraw/zinc/56/68/24/571566824.db2.gz PEDZDGNKUGUQFR-AREMUKBSSA-N 0 0 714.068 6.791 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224536806 571569145 /nfs/dbraw/zinc/56/91/45/571569145.db2.gz MUUSSHKSGBFDIR-SANMLTNESA-N 0 0 574.530 6.301 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223893488 571569462 /nfs/dbraw/zinc/56/94/62/571569462.db2.gz GPBZNPHQCCPITC-HXUWFJFHSA-N 0 0 526.417 5.013 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000205658749 571569571 /nfs/dbraw/zinc/56/95/71/571569571.db2.gz WUYYXRCIRQGIDL-JVWAILMASA-N 0 0 619.493 7.725 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205653225 571569578 /nfs/dbraw/zinc/56/95/78/571569578.db2.gz UFLGRKYIKUOSKN-WYMPLXKRSA-N 0 0 521.957 6.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC ZINC000205679751 571569834 /nfs/dbraw/zinc/56/98/34/571569834.db2.gz QLEMHNIJKFLMAN-WOJGMQOQSA-N 0 0 507.362 5.391 40 5 KKBBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000205702184 571570175 /nfs/dbraw/zinc/57/01/75/571570175.db2.gz BGNBVDLVUXAALP-LZYBPNLTSA-N 0 0 636.205 5.439 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000205699356 571570185 /nfs/dbraw/zinc/57/01/85/571570185.db2.gz SDHHQCHTTOWKIS-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000205701811 571570208 /nfs/dbraw/zinc/57/02/08/571570208.db2.gz DUXGDRMYCHYGCD-ZVBGSRNCSA-N 0 0 529.889 6.324 40 5 KKBBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000205702164 571570248 /nfs/dbraw/zinc/57/02/48/571570248.db2.gz NABCZCQDHPYZCH-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN COC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205775036 571571007 /nfs/dbraw/zinc/57/10/07/571571007.db2.gz BKOQFYKZJYLUSQ-FRKPEAEDSA-N 0 0 561.288 5.378 40 5 KKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 ZINC000205775457 571571064 /nfs/dbraw/zinc/57/10/64/571571064.db2.gz QJOSLCLZZZHPKN-UDWIEESQSA-N 0 0 545.358 5.286 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208359085 571573989 /nfs/dbraw/zinc/57/39/89/571573989.db2.gz OJUFJERXUAYBJS-DFXMODJXSA-N 0 0 635.698 5.447 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223915086 571574593 /nfs/dbraw/zinc/57/45/93/571574593.db2.gz MNKUYRJNQXWSQT-IZZNHLLZSA-N 0 0 515.595 5.502 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214140439 571577749 /nfs/dbraw/zinc/57/77/49/571577749.db2.gz FPRDDBUCZFNJFP-SRZZPIQSSA-N 0 0 541.925 6.194 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214188489 571577868 /nfs/dbraw/zinc/57/78/68/571577868.db2.gz UMBWFVDRJZQFNS-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223932125 571578007 /nfs/dbraw/zinc/57/80/07/571578007.db2.gz NNAZRMKZRRAITM-CCLHPLFOSA-N 0 0 635.570 5.222 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214209306 571578076 /nfs/dbraw/zinc/57/80/76/571578076.db2.gz HQYXRDJPIOFMLB-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224575130 571578222 /nfs/dbraw/zinc/57/82/22/571578222.db2.gz WYBPASVNMYLGOR-MHZLTWQESA-N 0 0 659.205 5.649 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCOCC1 ZINC000214305602 571578472 /nfs/dbraw/zinc/57/84/72/571578472.db2.gz OWBQIJWLINQBQV-VXLYETTFSA-N 0 0 616.368 5.064 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214350068 571578606 /nfs/dbraw/zinc/57/86/06/571578606.db2.gz XDOKQDFMQPAVIZ-FSJBWODESA-N 0 0 539.497 6.070 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214386194 571578786 /nfs/dbraw/zinc/57/87/86/571578786.db2.gz YEUCDNREYCKXCM-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214360508 571578793 /nfs/dbraw/zinc/57/87/93/571578793.db2.gz LUJZWZPWUJMATE-FSJBWODESA-N 0 0 562.497 7.180 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214413182 571579012 /nfs/dbraw/zinc/57/90/12/571579012.db2.gz CZNYQLOURBGCRZ-ODCIPOBUSA-N 0 0 648.240 8.712 40 5 KKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000224585045 571580610 /nfs/dbraw/zinc/58/06/10/571580610.db2.gz NVVCWFRSIYVAGH-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214791986 571580888 /nfs/dbraw/zinc/58/08/88/571580888.db2.gz OJHKRWGBXKUZKZ-AUEPDCJTSA-N 0 0 624.296 7.488 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214774095 571581014 /nfs/dbraw/zinc/58/10/14/571581014.db2.gz LIGRRESPLTZNHP-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214835750 571581470 /nfs/dbraw/zinc/58/14/70/571581470.db2.gz SYFFIGSSZBBJRM-JFLMPSFJSA-N 0 0 571.567 7.084 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223949420 571581661 /nfs/dbraw/zinc/58/16/61/571581661.db2.gz PVRBZTGMIVAMCG-KAYWLYCHSA-N 0 0 527.606 5.264 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223949525 571581731 /nfs/dbraw/zinc/58/17/31/571581731.db2.gz PVRBZTGMIVAMCG-RRPNLBNLSA-N 0 0 527.606 5.264 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCC ZINC000214895842 571581783 /nfs/dbraw/zinc/58/17/83/571581783.db2.gz PJKZVCHUEUUQPX-WOJGMQOQSA-N 0 0 507.362 5.391 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214923635 571581934 /nfs/dbraw/zinc/58/19/34/571581934.db2.gz XESFULOWGBGNDY-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214911568 571581969 /nfs/dbraw/zinc/58/19/69/571581969.db2.gz IXUXHAQUPCBXHW-SSDVNMTOSA-N 0 0 609.376 7.414 40 5 KKBBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1C ZINC000214983297 571582425 /nfs/dbraw/zinc/58/24/25/571582425.db2.gz IRJXUXPYSGSJHC-ZMOGYAJESA-N 0 0 596.459 6.228 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccn1 ZINC000215015887 571582516 /nfs/dbraw/zinc/58/25/16/571582516.db2.gz SXIWFGODAFEOEJ-CIAFOILYSA-N 0 0 556.394 5.576 40 5 KKBBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215024000 571582593 /nfs/dbraw/zinc/58/25/93/571582593.db2.gz KRFCZAQINNQSJW-VIZOYTHASA-N 0 0 528.178 5.365 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223953182 571582641 /nfs/dbraw/zinc/58/26/41/571582641.db2.gz UYOAUCRLHICODP-BCHFMIIMSA-N 0 0 588.488 5.844 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl ZINC000215148474 571583415 /nfs/dbraw/zinc/58/34/15/571583415.db2.gz KIBMDIDBYVKLAH-ZVBGSRNCSA-N 0 0 529.889 6.324 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000215198229 571583659 /nfs/dbraw/zinc/58/36/59/571583659.db2.gz ODBBABNVHIZPQD-GZIVZEMBSA-N 0 0 512.927 6.090 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000215260974 571584308 /nfs/dbraw/zinc/58/43/08/571584308.db2.gz CFINWRKJNFYWJU-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223979437 571587758 /nfs/dbraw/zinc/58/77/58/571587758.db2.gz WCOVYMMKNCBGER-MRXNPFEDSA-N 0 0 524.470 5.611 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000215918843 571587851 /nfs/dbraw/zinc/58/78/51/571587851.db2.gz WVNVYUDGJDDWDL-UHFFFAOYSA-N 0 0 630.723 6.296 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223984240 571588935 /nfs/dbraw/zinc/58/89/35/571588935.db2.gz SPDPXZKRHKLYNR-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224623007 571588940 /nfs/dbraw/zinc/58/89/40/571588940.db2.gz IAUWCULLUMTVEM-NDEPHWFRSA-N 0 0 671.216 5.669 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223997621 571592332 /nfs/dbraw/zinc/59/23/32/571592332.db2.gz ZXNZYSQTMUHDEL-XIFFEERXSA-N 0 0 658.777 5.273 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224001562 571592976 /nfs/dbraw/zinc/59/29/76/571592976.db2.gz BGDWOWZHDOHHIF-JGCGQSQUSA-N 0 0 693.222 5.927 40 5 KKBBRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000216358498 571595259 /nfs/dbraw/zinc/59/52/59/571595259.db2.gz HANXASORMOCFGO-AREMUKBSSA-N 0 0 555.653 5.019 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224673302 571600332 /nfs/dbraw/zinc/60/03/32/571600332.db2.gz GDXDIPDJQRFHGA-MHZLTWQESA-N 0 0 601.125 5.023 40 5 KKBBRN Cc1oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000217975352 571602942 /nfs/dbraw/zinc/60/29/42/571602942.db2.gz FUSAIACDDFQJTJ-PEPAQOBHSA-N 0 0 570.598 6.315 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224690769 571605216 /nfs/dbraw/zinc/60/52/16/571605216.db2.gz GZGSNRHSUJHZSP-DEOSSOPVSA-N 0 0 671.216 5.935 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224068926 571605901 /nfs/dbraw/zinc/60/59/01/571605901.db2.gz FUCOIVOMQQCBIY-CLJLJLNGSA-N 0 0 551.024 6.106 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224068537 571605905 /nfs/dbraw/zinc/60/59/05/571605905.db2.gz LVJPOUSZMHXZPR-MHZLTWQESA-N 0 0 519.667 5.303 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224076712 571606915 /nfs/dbraw/zinc/60/69/15/571606915.db2.gz PXTIOXPPJSXTFC-FTJBHMTQSA-N 0 0 551.024 6.106 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224076766 571606957 /nfs/dbraw/zinc/60/69/57/571606957.db2.gz PXTIOXPPJSXTFC-IZZNHLLZSA-N 0 0 551.024 6.106 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224715523 571609147 /nfs/dbraw/zinc/60/91/47/571609147.db2.gz VGRSYZFRJSLROX-IHLOFXLRSA-N 0 0 547.640 7.058 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224104799 571610645 /nfs/dbraw/zinc/61/06/45/571610645.db2.gz HWVKBZUJFWNTDG-FQEVSTJZSA-N 0 0 710.047 5.855 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 ZINC000224111233 571611312 /nfs/dbraw/zinc/61/13/12/571611312.db2.gz JFZFDCICLOGRCM-NSOVKSMOSA-N 0 0 571.659 6.338 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224751959 571613930 /nfs/dbraw/zinc/61/39/30/571613930.db2.gz YGDREPNTUDHUAQ-YTTGMZPUSA-N 0 0 693.222 5.925 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224759242 571614530 /nfs/dbraw/zinc/61/45/30/571614530.db2.gz WCHNSMXHDLXXFP-IHLOFXLRSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224759530 571614573 /nfs/dbraw/zinc/61/45/73/571614573.db2.gz LUKMPIOVCYZLGW-LOYHVIPDSA-N 0 0 564.623 7.228 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Cl)s3)cc2)cc1 ZINC000224761210 571614670 /nfs/dbraw/zinc/61/46/70/571614670.db2.gz NLPICLHTDTZWOA-PKTZIBPZSA-N 0 0 525.080 7.033 40 5 KKBBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000224761063 571614672 /nfs/dbraw/zinc/61/46/72/571614672.db2.gz HWRWYWIVDLYUDT-BJKOFHAPSA-N 0 0 504.662 6.688 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Br)s3)cc2)cc1 ZINC000224761499 571614731 /nfs/dbraw/zinc/61/47/31/571614731.db2.gz OYYFXWYVFYUIDF-DHIUTWEWSA-N 0 0 569.531 7.142 40 5 KKBBRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224763479 571614944 /nfs/dbraw/zinc/61/49/44/571614944.db2.gz HHNKJTVKXHCIGZ-UIOOFZCWSA-N 0 0 515.664 6.701 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224765224 571615072 /nfs/dbraw/zinc/61/50/72/571615072.db2.gz AUDBIUFGNFYVEE-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 ZINC000224765951 571615094 /nfs/dbraw/zinc/61/50/94/571615094.db2.gz HASQYPPCVWUYBP-IZLXSDGUSA-N 0 0 541.702 7.071 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 ZINC000224766808 571615186 /nfs/dbraw/zinc/61/51/86/571615186.db2.gz MEAAROIYIIYQQS-FQLXRVMXSA-N 0 0 584.126 7.762 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3Cc3cccnc3)cc2)cc1 ZINC000224767457 571615240 /nfs/dbraw/zinc/61/52/40/571615240.db2.gz ZDROJWUGFQZLJY-VMPREFPWSA-N 0 0 564.696 6.563 40 5 KKBBRN COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224768116 571615304 /nfs/dbraw/zinc/61/53/04/571615304.db2.gz RFZXKDDAYCXKIX-FTJBHMTQSA-N 0 0 531.663 5.766 40 5 KKBBRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224768867 571615333 /nfs/dbraw/zinc/61/53/33/571615333.db2.gz SPLJXYOTBKJVDT-CLJLJLNGSA-N 0 0 529.691 6.875 40 5 KKBBRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224769385 571615413 /nfs/dbraw/zinc/61/54/13/571615413.db2.gz BOQWSGHSVDRWTE-KYJUHHDHSA-N 0 0 596.759 8.371 40 5 KKBBRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224769656 571615440 /nfs/dbraw/zinc/61/54/40/571615440.db2.gz BQGSDVXPNDOXTM-KAYWLYCHSA-N 0 0 529.691 6.756 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C3CCCCC3)cc2)cc1 ZINC000224780372 571616371 /nfs/dbraw/zinc/61/63/71/571616371.db2.gz NYSLWRMDGUCEIA-VMPREFPWSA-N 0 0 555.729 7.625 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3)cc2)cc1 ZINC000224780671 571616424 /nfs/dbraw/zinc/61/64/24/571616424.db2.gz AHOSQXCOPVHMMC-URLMMPGGSA-N 0 0 549.681 7.109 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3F)cc2)cc1 ZINC000224781598 571616520 /nfs/dbraw/zinc/61/65/20/571616520.db2.gz IAUSDQDYRKQFEI-VMPREFPWSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 ZINC000224782205 571616576 /nfs/dbraw/zinc/61/65/76/571616576.db2.gz JLMNWHZBZSSKAH-VMPREFPWSA-N 0 0 628.577 7.871 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 ZINC000224782101 571616583 /nfs/dbraw/zinc/61/65/83/571616583.db2.gz RWCKUJNFUJVZBO-URLMMPGGSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224785531 571616898 /nfs/dbraw/zinc/61/68/98/571616898.db2.gz GCIRQFLLMPGTHW-URLMMPGGSA-N 0 0 617.177 8.716 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224786440 571617022 /nfs/dbraw/zinc/61/70/22/571617022.db2.gz FRTNYONXHMTAIH-VMPREFPWSA-N 0 0 595.662 7.486 40 5 KKBBRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224786692 571617070 /nfs/dbraw/zinc/61/70/70/571617070.db2.gz NMQDWUMLNXEQOK-JSOSNVBQSA-N 0 0 594.718 7.977 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 ZINC000224788917 571617223 /nfs/dbraw/zinc/61/72/23/571617223.db2.gz CCUFLJUZAFXSKW-FQLXRVMXSA-N 0 0 647.551 8.480 40 5 KKBBRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789175 571617261 /nfs/dbraw/zinc/61/72/61/571617261.db2.gz NCJRHRIKUQETMU-LOYHVIPDSA-N 0 0 599.137 8.540 40 5 KKBBRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl ZINC000224789606 571617319 /nfs/dbraw/zinc/61/73/19/571617319.db2.gz CCNKZDHHJSLUQV-IHLOFXLRSA-N 0 0 599.137 8.540 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 ZINC000224790593 571617372 /nfs/dbraw/zinc/61/73/72/571617372.db2.gz ZNZICFDJQCKYJJ-VMPREFPWSA-N 0 0 555.729 7.625 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224791139 571617485 /nfs/dbraw/zinc/61/74/85/571617485.db2.gz FUCMNMZIXVWSGW-GOSISDBHSA-N 0 0 504.052 5.348 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224792977 571617630 /nfs/dbraw/zinc/61/76/30/571617630.db2.gz OLVZJVQJYOBEEB-WDYNHAJCSA-N 0 0 595.662 7.486 40 5 KKBBRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224793426 571617684 /nfs/dbraw/zinc/61/76/84/571617684.db2.gz WSVZFUFJKTVENX-KYJUHHDHSA-N 0 0 608.701 7.365 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224795303 571617874 /nfs/dbraw/zinc/61/78/74/571617874.db2.gz HPAKDJHPMKPICN-QFIPXVFZSA-N 0 0 613.136 5.310 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000224825996 571620816 /nfs/dbraw/zinc/62/08/16/571620816.db2.gz QBRGUZMRCLPRLI-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224828654 571621074 /nfs/dbraw/zinc/62/10/74/571621074.db2.gz BNOLICXAMBFNRT-AREMUKBSSA-N 0 0 714.068 6.647 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224845052 571622691 /nfs/dbraw/zinc/62/26/91/571622691.db2.gz ZJKLXPDNTMKXTR-LJAQVGFWSA-N 0 0 545.705 5.835 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224851814 571623196 /nfs/dbraw/zinc/62/31/96/571623196.db2.gz JKPXBJWEJQHGMP-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224854628 571623482 /nfs/dbraw/zinc/62/34/82/571623482.db2.gz SPFGFJDOHXCSCL-UIOOFZCWSA-N 0 0 532.578 5.453 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O ZINC000224856317 571623713 /nfs/dbraw/zinc/62/37/13/571623713.db2.gz CHNHAPDNVIZTPX-UHFFFAOYSA-N 0 0 529.574 6.021 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224873549 571625544 /nfs/dbraw/zinc/62/55/44/571625544.db2.gz RIUVKPIIFHJCKG-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224899932 571628128 /nfs/dbraw/zinc/62/81/28/571628128.db2.gz WAHULCSQSNTIAN-INIZCTEOSA-N 0 0 538.428 5.155 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224905756 571628654 /nfs/dbraw/zinc/62/86/54/571628654.db2.gz IUMRVQNROGHYOY-KRWDZBQOSA-N 0 0 538.497 6.001 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224918840 571629836 /nfs/dbraw/zinc/62/98/36/571629836.db2.gz OPZOEKNGCLLVSJ-LJQANCHMSA-N 0 0 607.516 5.040 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224935823 571631689 /nfs/dbraw/zinc/63/16/89/571631689.db2.gz WMEDAWFMZDKDIG-WJOKGBTCSA-N 0 0 632.714 5.094 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224942793 571632394 /nfs/dbraw/zinc/63/23/94/571632394.db2.gz OCOZCRSVSLQPFY-QHCPKHFHSA-N 0 0 687.215 5.635 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224970614 571635063 /nfs/dbraw/zinc/63/50/63/571635063.db2.gz JKZCCVAOJUQBQC-YTTGMZPUSA-N 0 0 711.212 6.064 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224975531 571635507 /nfs/dbraw/zinc/63/55/07/571635507.db2.gz QDGWREHLOIGNIB-BJKOFHAPSA-N 0 0 506.971 6.089 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224975659 571635511 /nfs/dbraw/zinc/63/55/11/571635511.db2.gz ZJKZDUSKNUSGGS-RPWUZVMVSA-N 0 0 506.971 6.089 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224975731 571635522 /nfs/dbraw/zinc/63/55/22/571635522.db2.gz ZJKZDUSKNUSGGS-DNQXCXABSA-N 0 0 506.971 6.089 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224988587 571636715 /nfs/dbraw/zinc/63/67/15/571636715.db2.gz OIYNZJSBVGEVRQ-WJOKGBTCSA-N 0 0 693.620 5.717 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224989730 571636851 /nfs/dbraw/zinc/63/68/51/571636851.db2.gz KROYFGFQUQBTJV-MHZLTWQESA-N 0 0 564.480 5.599 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 ZINC000225004081 571638333 /nfs/dbraw/zinc/63/83/33/571638333.db2.gz SNIUOVKOLSUWQL-FQLXRVMXSA-N 0 0 574.106 7.317 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225012347 571638903 /nfs/dbraw/zinc/63/89/03/571638903.db2.gz LYSPRZGXRGQWHH-NDEPHWFRSA-N 0 0 610.574 6.289 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225014806 571639067 /nfs/dbraw/zinc/63/90/67/571639067.db2.gz ANKKYCMMVNCFHW-HKBQPEDESA-N 0 0 693.620 5.717 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225017875 571639348 /nfs/dbraw/zinc/63/93/48/571639348.db2.gz CCAPTKNGXSWLHZ-PMERELPUSA-N 0 0 636.771 5.363 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225020483 571639594 /nfs/dbraw/zinc/63/95/94/571639594.db2.gz KLWQKKNYSNBFOZ-NDEPHWFRSA-N 0 0 671.216 6.017 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225029587 571640445 /nfs/dbraw/zinc/64/04/45/571640445.db2.gz AJTFBOLJEBRHNR-HHHXNRCGSA-N 0 0 610.505 5.444 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225029546 571640460 /nfs/dbraw/zinc/64/04/60/571640460.db2.gz AJTFBOLJEBRHNR-MHZLTWQESA-N 0 0 610.505 5.444 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225044055 571641552 /nfs/dbraw/zinc/64/15/52/571641552.db2.gz USZBHIXCYQHIER-NDEPHWFRSA-N 0 0 647.581 5.367 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225045800 571641788 /nfs/dbraw/zinc/64/17/88/571641788.db2.gz JOGQPAHPIXUBDT-NDEPHWFRSA-N 0 0 677.607 5.375 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225073031 571644255 /nfs/dbraw/zinc/64/42/55/571644255.db2.gz UMQFQXBWFPIKSF-PMERELPUSA-N 0 0 606.745 5.355 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225084459 571645709 /nfs/dbraw/zinc/64/57/09/571645709.db2.gz NRAVZGVOACBCHM-CONSDPRKSA-N 0 0 591.649 6.444 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 ZINC000225087417 571646068 /nfs/dbraw/zinc/64/60/68/571646068.db2.gz VKSBBTGBTWZOEZ-ZWXJPIIXSA-N 0 0 621.675 6.453 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225099406 571647101 /nfs/dbraw/zinc/64/71/01/571647101.db2.gz KERWIBXMHNSFPL-HHHXNRCGSA-N 0 0 600.499 5.988 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225115500 571648908 /nfs/dbraw/zinc/64/89/08/571648908.db2.gz LUEJPYZSKJUAPA-LJAQVGFWSA-N 0 0 685.243 6.325 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225136528 571650739 /nfs/dbraw/zinc/65/07/39/571650739.db2.gz MUQUPLGGRGKQTL-QHCPKHFHSA-N 0 0 657.189 5.627 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225144858 571651799 /nfs/dbraw/zinc/65/17/99/571651799.db2.gz BYGSTWQURMGZOL-NDEPHWFRSA-N 0 0 705.661 6.670 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225150910 571652453 /nfs/dbraw/zinc/65/24/53/571652453.db2.gz RSVGSKLEWVTDJA-QFIPXVFZSA-N 0 0 631.151 5.094 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225151248 571652521 /nfs/dbraw/zinc/65/25/21/571652521.db2.gz HAYCOBNIPUUPDE-LEWJYISDSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225160525 571653341 /nfs/dbraw/zinc/65/33/41/571653341.db2.gz DDKIFVNAOMZYSS-XMMPIXPASA-N 0 0 518.079 5.738 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000225167326 571653993 /nfs/dbraw/zinc/65/39/93/571653993.db2.gz LGGJEPSXANOWBW-SVBPBHIXSA-N 0 0 526.622 5.615 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000225174982 571654634 /nfs/dbraw/zinc/65/46/34/571654634.db2.gz JCHWLXBITAYJIK-SVBPBHIXSA-N 0 0 527.606 6.084 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000225175223 571654668 /nfs/dbraw/zinc/65/46/68/571654668.db2.gz YAXQQFANTVUTAR-RRPNLBNLSA-N 0 0 527.606 6.084 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000225175259 571654673 /nfs/dbraw/zinc/65/46/73/571654673.db2.gz YAXQQFANTVUTAR-KAYWLYCHSA-N 0 0 527.606 6.084 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225177531 571654849 /nfs/dbraw/zinc/65/48/49/571654849.db2.gz UHTBRERKDJFFMK-SFHVURJKSA-N 0 0 548.503 5.457 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225179921 571655104 /nfs/dbraw/zinc/65/51/04/571655104.db2.gz UIXPJTDFMIZOLS-SANMLTNESA-N 0 0 645.178 5.403 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000225195863 571656762 /nfs/dbraw/zinc/65/67/62/571656762.db2.gz HCBKHLGOUAMSMR-RRPNLBNLSA-N 0 0 542.621 5.315 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225201914 571657381 /nfs/dbraw/zinc/65/73/81/571657381.db2.gz PWHRXVCGUTYDGK-PMERELPUSA-N 0 0 654.761 5.503 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000225203329 571657553 /nfs/dbraw/zinc/65/75/53/571657553.db2.gz ZKEKBDYGOSCLJS-SVBPBHIXSA-N 0 0 543.605 5.784 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000225228839 571660269 /nfs/dbraw/zinc/66/02/69/571660269.db2.gz BMGPSWADNQLEHX-SXOMAYOGSA-N 0 0 559.604 5.020 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225237520 571661199 /nfs/dbraw/zinc/66/11/99/571661199.db2.gz YQRFXSPSTBCDLT-DEOSSOPVSA-N 0 0 613.564 5.232 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225243821 571661905 /nfs/dbraw/zinc/66/19/05/571661905.db2.gz NSDNVSPUFCFTMI-JOCHJYFZSA-N 0 0 552.455 5.545 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225245488 571662086 /nfs/dbraw/zinc/66/20/86/571662086.db2.gz VXWXYZQNKFRYRN-NDEPHWFRSA-N 0 0 545.636 5.071 40 5 KKBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225251245 571662643 /nfs/dbraw/zinc/66/26/43/571662643.db2.gz CVYBQGCSVGDMFT-LJAQVGFWSA-N 0 0 513.638 5.535 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000225251325 571662645 /nfs/dbraw/zinc/66/26/45/571662645.db2.gz SPSLTJYALYLSPA-IZZNHLLZSA-N 0 0 563.039 5.196 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000225256161 571663213 /nfs/dbraw/zinc/66/32/13/571663213.db2.gz VGGPTIROIFOTRY-RRPNLBNLSA-N 0 0 594.049 5.674 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225263331 571664021 /nfs/dbraw/zinc/66/40/21/571664021.db2.gz NCANRBVXWCYIAU-MHZLTWQESA-N 0 0 519.667 5.384 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225265915 571664388 /nfs/dbraw/zinc/66/43/88/571664388.db2.gz GRLKBYOPUIGMOG-XMMPIXPASA-N 0 0 613.564 5.232 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225267129 571664495 /nfs/dbraw/zinc/66/44/95/571664495.db2.gz QNTPASZVZDIFRM-YTTGMZPUSA-N 0 0 628.751 5.347 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225277538 571665712 /nfs/dbraw/zinc/66/57/12/571665712.db2.gz LEZPYLOVYNWAAN-JOCHJYFZSA-N 0 0 506.430 5.700 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225288225 571666864 /nfs/dbraw/zinc/66/68/64/571666864.db2.gz XJHRZYGQQYUBHE-LJAQVGFWSA-N 0 0 559.663 5.380 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225293867 571667612 /nfs/dbraw/zinc/66/76/12/571667612.db2.gz JXKDKJKMYAAREL-HHHXNRCGSA-N 0 0 665.596 5.748 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225294319 571667693 /nfs/dbraw/zinc/66/76/93/571667693.db2.gz IDBOOCGKZCEMPZ-XIFFEERXSA-N 0 0 642.778 5.655 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225294283 571667707 /nfs/dbraw/zinc/66/77/07/571667707.db2.gz IDBOOCGKZCEMPZ-MGBGTMOVSA-N 0 0 642.778 5.655 40 5 KKBBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1OC ZINC000225307624 571669550 /nfs/dbraw/zinc/66/95/50/571669550.db2.gz OODJZZGMWXRODE-WUFINQPMSA-N 0 0 589.630 5.029 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260772355 571682516 /nfs/dbraw/zinc/68/25/16/571682516.db2.gz GZGSNRHSUJHZSP-XMMPIXPASA-N 0 0 671.216 5.935 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225335341 571693805 /nfs/dbraw/zinc/69/38/05/571693805.db2.gz LBLUPCZDFJPITJ-NRFANRHFSA-N 0 0 512.459 5.468 40 5 KKBBRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260787026 571695026 /nfs/dbraw/zinc/69/50/26/571695026.db2.gz LXYKROSFZYFUQS-OAQYLSRUSA-N 0 0 661.177 5.101 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260790023 571697611 /nfs/dbraw/zinc/69/76/11/571697611.db2.gz NAUIUZMDCZFBNJ-HSZRJFAPSA-N 0 0 657.189 5.545 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225346086 571705773 /nfs/dbraw/zinc/70/57/73/571705773.db2.gz ZMSKQLSPKITCDZ-MUUNZHRXSA-N 0 0 580.081 5.725 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225354804 571715029 /nfs/dbraw/zinc/71/50/29/571715029.db2.gz KGDVSTXJACAMQC-CLJLJLNGSA-N 0 0 500.580 6.214 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225375822 571742136 /nfs/dbraw/zinc/74/21/36/571742136.db2.gz MQZNTYFTHHYIPO-JGCGQSQUSA-N 0 0 663.196 6.000 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225378415 571745381 /nfs/dbraw/zinc/74/53/81/571745381.db2.gz PFXWHFFLUJUSFC-BHVANESWSA-N 0 0 716.832 6.335 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225379397 571746505 /nfs/dbraw/zinc/74/65/05/571746505.db2.gz GDCGRAYAFBNROG-WUFINQPMSA-N 0 0 526.618 6.748 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225382260 571750229 /nfs/dbraw/zinc/75/02/29/571750229.db2.gz VRNJWRORGRFBFE-UMSFTDKQSA-N 0 0 707.249 6.317 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260865854 571766965 /nfs/dbraw/zinc/76/69/65/571766965.db2.gz AIIKJRLLUNQNSD-UXHICEINSA-N 0 0 621.543 5.429 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225406223 571774991 /nfs/dbraw/zinc/77/49/91/571774991.db2.gz YWVYBCMCFUUSRS-YTTGMZPUSA-N 0 0 663.196 6.000 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260882352 571791334 /nfs/dbraw/zinc/79/13/34/571791334.db2.gz JAKMWCFLIAHTJK-HXUWFJFHSA-N 0 0 700.041 6.257 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225438646 571807694 /nfs/dbraw/zinc/80/76/94/571807694.db2.gz HASXLARYVHTJQJ-JGCGQSQUSA-N 0 0 663.196 6.000 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260900985 571822250 /nfs/dbraw/zinc/82/22/50/571822250.db2.gz HZCOBIDVYJJBDD-UUWRZZSWSA-N 0 0 654.789 5.879 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260904180 571826732 /nfs/dbraw/zinc/82/67/32/571826732.db2.gz IHJPGIJZEOOKOK-WJOKGBTCSA-N 0 0 620.772 5.067 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260904323 571827456 /nfs/dbraw/zinc/82/74/56/571827456.db2.gz IOJSYSBFFIZCJR-PGUFJCEWSA-N 0 0 668.816 6.188 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225456717 571828166 /nfs/dbraw/zinc/82/81/66/571828166.db2.gz GPPYSHQDVKSTOA-NDEPHWFRSA-N 0 0 624.532 5.834 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225462450 571833558 /nfs/dbraw/zinc/83/35/58/571833558.db2.gz XCEMFWVHMSTZKT-MUUNZHRXSA-N 0 0 568.501 6.533 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225462416 571833700 /nfs/dbraw/zinc/83/37/00/571833700.db2.gz XCEMFWVHMSTZKT-NDEPHWFRSA-N 0 0 568.501 6.533 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225466908 571838623 /nfs/dbraw/zinc/83/86/23/571838623.db2.gz LOPDCVKHWXSGQO-JGCGQSQUSA-N 0 0 646.741 5.486 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260911625 571840020 /nfs/dbraw/zinc/84/00/20/571840020.db2.gz FVDDCPBZDIBNNF-FNZWTVRRSA-N 0 0 714.068 6.789 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225490399 571860420 /nfs/dbraw/zinc/86/04/20/571860420.db2.gz CEHHNQPAZJMSIB-DHUJRADRSA-N 0 0 802.177 8.156 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225494059 571863821 /nfs/dbraw/zinc/86/38/21/571863821.db2.gz VFFRJPIKARQHNI-YTTGMZPUSA-N 0 0 646.741 5.486 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 ZINC000260925511 571864660 /nfs/dbraw/zinc/86/46/60/571864660.db2.gz UTKHQSYKDLFZIW-BOOGVAPPSA-N 0 0 587.149 7.093 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C[C@H]3CCCO3)cc2)cc1 ZINC000260925578 571865235 /nfs/dbraw/zinc/86/52/35/571865235.db2.gz VRPBBOVLQJBATP-MWVDVNALSA-N 0 0 557.701 6.299 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260926057 571865704 /nfs/dbraw/zinc/86/57/04/571865704.db2.gz HDOFYYSAPKOVLG-HRFSGMKKSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225508235 571879438 /nfs/dbraw/zinc/87/94/38/571879438.db2.gz PZOVDFYASXABTO-WNCULLNHSA-N 0 0 659.205 5.791 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225509103 571880394 /nfs/dbraw/zinc/88/03/94/571880394.db2.gz OMVDKJXAXAVVIE-LJAQVGFWSA-N 0 0 661.608 5.757 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225529804 571896904 /nfs/dbraw/zinc/89/69/04/571896904.db2.gz GDWNRCSSCKIXDA-MGBGTMOVSA-N 0 0 786.145 7.079 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260943512 571899719 /nfs/dbraw/zinc/89/97/19/571899719.db2.gz SIHOXJTWOWLRKV-PGUFJCEWSA-N 0 0 668.816 6.188 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225536047 571901799 /nfs/dbraw/zinc/90/17/99/571901799.db2.gz BJFXLDACZSVUFZ-UIOOFZCWSA-N 0 0 513.579 5.251 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225537665 571903112 /nfs/dbraw/zinc/90/31/12/571903112.db2.gz JELOQWXVRHRSEX-AREMUKBSSA-N 0 0 598.494 5.301 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260950445 571913415 /nfs/dbraw/zinc/91/34/15/571913415.db2.gz VIYNPIRUQZETLJ-GDLZYMKVSA-N 0 0 627.163 5.103 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225556475 571918350 /nfs/dbraw/zinc/91/83/50/571918350.db2.gz CLJFJNFOGPOIPX-WUFINQPMSA-N 0 0 540.649 5.344 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260956913 571924456 /nfs/dbraw/zinc/92/44/56/571924456.db2.gz KPRVNXOMRLCJMH-PMACEKPBSA-N 0 0 700.041 6.399 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000260958732 571927810 /nfs/dbraw/zinc/92/78/10/571927810.db2.gz XAWUQJYEMPGJRQ-MGBGTMOVSA-N 0 0 642.778 5.511 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260967142 571940065 /nfs/dbraw/zinc/94/00/65/571940065.db2.gz LVHLXMHTFRZMPK-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260968834 571941124 /nfs/dbraw/zinc/94/11/24/571941124.db2.gz IKHSKIHKFIXPOL-GDLZYMKVSA-N 0 0 627.163 5.022 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225585208 571943959 /nfs/dbraw/zinc/94/39/59/571943959.db2.gz LYBMMGQUMXEGCU-SANMLTNESA-N 0 0 588.488 5.845 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260974226 571946680 /nfs/dbraw/zinc/94/66/80/571946680.db2.gz AEWBDIOALSDRMP-IANOAQMISA-N 0 0 776.139 7.622 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225591990 571947695 /nfs/dbraw/zinc/94/76/95/571947695.db2.gz CFVLAJYPTOTFOD-JIPXPUAJSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260977171 571950677 /nfs/dbraw/zinc/95/06/77/571950677.db2.gz NKHQWEKVTMQLHU-CUNXSJBXSA-N 0 0 675.204 5.491 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260979006 571952538 /nfs/dbraw/zinc/95/25/38/571952538.db2.gz KRUBQKWCSGNKCY-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225600233 571954535 /nfs/dbraw/zinc/95/45/35/571954535.db2.gz WTGLFRSUBUPOEQ-HHHXNRCGSA-N 0 0 635.570 5.224 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260980990 571955199 /nfs/dbraw/zinc/95/51/99/571955199.db2.gz KZAPNNHQAJWXRQ-JGCGQSQUSA-N 0 0 725.239 6.454 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225602361 571956043 /nfs/dbraw/zinc/95/60/43/571956043.db2.gz IGKGFNDPSNAADN-MHZLTWQESA-N 0 0 665.596 5.233 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260983288 571958263 /nfs/dbraw/zinc/95/82/63/571958263.db2.gz BJKSZALBAYJCOH-MUUNZHRXSA-N 0 0 649.597 5.388 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260986122 571961986 /nfs/dbraw/zinc/96/19/86/571961986.db2.gz BUPPOYLVNTVFDW-GOXGLGGOSA-N 0 0 646.741 5.484 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225617369 571967808 /nfs/dbraw/zinc/96/78/08/571967808.db2.gz VCLWXFVYRJJKDL-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260990082 571968396 /nfs/dbraw/zinc/96/83/96/571968396.db2.gz CLLXNUPSQKMFNE-OAQYLSRUSA-N 0 0 675.602 5.202 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260998302 571983213 /nfs/dbraw/zinc/98/32/13/571983213.db2.gz PCGAQEJZZFUHBD-JGCGQSQUSA-N 0 0 776.139 7.622 40 5 KKBBRN CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225635750 571987323 /nfs/dbraw/zinc/98/73/23/571987323.db2.gz OIHQEFVPQJAEDG-LJQANCHMSA-N 0 0 607.516 5.039 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261001727 571988727 /nfs/dbraw/zinc/98/87/27/571988727.db2.gz FJAUAGKUKCYHCP-IANOAQMISA-N 0 0 776.139 7.622 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225639476 571990704 /nfs/dbraw/zinc/99/07/04/571990704.db2.gz QUVCZMZQVUFVTR-MGBGTMOVSA-N 0 0 658.777 5.355 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261004931 571993383 /nfs/dbraw/zinc/99/33/83/571993383.db2.gz FUJVRSKRZXNRAZ-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225658581 572004814 /nfs/dbraw/zinc/00/48/14/572004814.db2.gz IIZPLDIMZRHFSD-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225673735 572014521 /nfs/dbraw/zinc/01/45/21/572014521.db2.gz XJJBTPFEJLOATK-NFQMXDRXSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225678715 572017430 /nfs/dbraw/zinc/01/74/30/572017430.db2.gz UUKIQEWHIDCXAA-RRPNLBNLSA-N 0 0 543.605 5.260 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261018502 572018208 /nfs/dbraw/zinc/01/82/08/572018208.db2.gz HXEWNRYQTPBPEC-MGBGTMOVSA-N 0 0 721.276 6.624 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261029953 572030994 /nfs/dbraw/zinc/03/09/94/572030994.db2.gz WYCYUINXMAYVKV-MGBGTMOVSA-N 0 0 658.752 5.628 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000225710977 572040890 /nfs/dbraw/zinc/04/08/90/572040890.db2.gz XJQRAUCDRLLZQW-LOYHVIPDSA-N 0 0 562.655 5.935 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225725480 572049070 /nfs/dbraw/zinc/04/90/70/572049070.db2.gz FVUYATOVOSXAJO-AOMKIAJQSA-N 0 0 526.486 5.857 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261045335 572050412 /nfs/dbraw/zinc/05/04/12/572050412.db2.gz LFKZJMXJDVJYMI-JQJBXXCASA-N 0 0 725.239 6.454 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225729090 572050589 /nfs/dbraw/zinc/05/05/89/572050589.db2.gz FEECKZBVYZYRTH-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225732141 572052537 /nfs/dbraw/zinc/05/25/37/572052537.db2.gz RCLAXGGVBCSJND-YTTGMZPUSA-N 0 0 628.751 5.202 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225734644 572054163 /nfs/dbraw/zinc/05/41/63/572054163.db2.gz YGOKSIGJPLDVAZ-RBTNQOKQSA-N 0 0 679.623 6.136 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225736236 572054463 /nfs/dbraw/zinc/05/44/63/572054463.db2.gz YKWNMDMWBHGYNY-UMSFTDKQSA-N 0 0 672.804 5.519 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261058021 572060974 /nfs/dbraw/zinc/06/09/74/572060974.db2.gz NFGFCAJHTXUBNH-FOPBOCKXSA-N 0 0 721.276 6.624 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225761563 572065031 /nfs/dbraw/zinc/06/50/31/572065031.db2.gz PBDPCYPDXUCRCK-NDEPHWFRSA-N 0 0 533.694 5.549 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261074444 572072140 /nfs/dbraw/zinc/07/21/40/572072140.db2.gz QFDUYTQOERNWDD-VXKWHMMOSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261074372 572072150 /nfs/dbraw/zinc/07/21/50/572072150.db2.gz QDPXPPOYZRQAAU-BNHRFMORSA-N 0 0 697.641 6.652 40 5 KKBBRN CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000225858015 572078259 /nfs/dbraw/zinc/07/82/59/572078259.db2.gz YIUBXRZPBRHFAO-UHFFFAOYSA-N 0 0 511.581 5.286 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261092361 572082156 /nfs/dbraw/zinc/08/21/56/572082156.db2.gz UFZVKGGUJJZBCZ-HPMVVLTCSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261092344 572082226 /nfs/dbraw/zinc/08/22/26/572082226.db2.gz UERJVTQZCKVEHQ-JQJBXXCASA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261112028 572095426 /nfs/dbraw/zinc/09/54/26/572095426.db2.gz YAJKJLUXEBRULS-SFTDATJTSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261117831 572098454 /nfs/dbraw/zinc/09/84/54/572098454.db2.gz YSOAHIYFRFLSPF-HPMVVLTCSA-N 0 0 786.145 7.078 40 5 KKBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261365830 572108334 /nfs/dbraw/zinc/10/83/34/572108334.db2.gz VOLVXIHTZCHPJC-AREMUKBSSA-O 0 0 532.602 5.419 40 5 KKBBRN COc1ccc(/C=C/C(=O)N(C)CCc2cc(OC)c(OC)c3c2ccc2cc(OC)c(OC)cc23)cc1OC ZINC000263585026 572116523 /nfs/dbraw/zinc/11/65/23/572116523.db2.gz DHWZBCVQIOCQSY-UKTHLTGXSA-N 0 0 545.632 5.759 40 5 KKBBRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000329066560 572151547 /nfs/dbraw/zinc/15/15/47/572151547.db2.gz YAUXYMQDMUXUOE-UHFFFAOYSA-N 0 0 503.481 5.291 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 ZINC000408528849 572165985 /nfs/dbraw/zinc/16/59/85/572165985.db2.gz LNYYLFMGZFVWTC-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408530846 572173466 /nfs/dbraw/zinc/17/34/66/572173466.db2.gz RVJPYOGUYSCYJC-DHUJRADRSA-N 0 0 648.741 7.469 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 ZINC000408531639 572176551 /nfs/dbraw/zinc/17/65/51/572176551.db2.gz VOYLXFNCGKDSTQ-UUWRZZSWSA-N 0 0 618.715 7.378 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1[N+](=O)[O-] ZINC000408540981 572207583 /nfs/dbraw/zinc/20/75/83/572207583.db2.gz AKPGIVWYJPMELR-SREVYHEPSA-N 0 0 512.129 6.305 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408541560 572208985 /nfs/dbraw/zinc/20/89/85/572208985.db2.gz DEDQMRNIZMRNII-TWGQIWQCSA-N 0 0 551.293 5.552 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2O)c(C)c1 ZINC000408542439 572210554 /nfs/dbraw/zinc/21/05/54/572210554.db2.gz IVCDVIDXQFPWHN-UHFFFAOYSA-N 0 0 509.975 5.549 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1[N+](=O)[O-] ZINC000408543914 572214127 /nfs/dbraw/zinc/21/41/27/572214127.db2.gz QQJIMIOQNOBFPR-DAXSKMNVSA-N 0 0 528.584 6.819 40 5 KKBBRN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000245242058 572216610 /nfs/dbraw/zinc/21/66/10/572216610.db2.gz YDFNPRCPBPZTAW-LXKXAPTBSA-N 0 0 573.574 5.041 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCCC1 ZINC000408550003 572232954 /nfs/dbraw/zinc/23/29/54/572232954.db2.gz CLGVHEVSCGUALS-YBFXNURJSA-N 0 0 536.393 5.139 40 5 KKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 ZINC000408553233 572240266 /nfs/dbraw/zinc/24/02/66/572240266.db2.gz MZVKKASFPOBTGL-UHFFFAOYSA-N 0 0 532.334 5.738 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408554986 572242340 /nfs/dbraw/zinc/24/23/40/572242340.db2.gz GOHIJUOPDXXLFA-UHFFFAOYSA-N 0 0 603.638 6.815 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1 ZINC000408557624 572245201 /nfs/dbraw/zinc/24/52/01/572245201.db2.gz PRQUTQQIABTUIC-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408557898 572245321 /nfs/dbraw/zinc/24/53/21/572245321.db2.gz PIEKPSNFDRBZTC-HSZRJFAPSA-N 0 0 573.376 7.890 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408558210 572245628 /nfs/dbraw/zinc/24/56/28/572245628.db2.gz QKVISSLANOSNND-UHFFFAOYSA-N 0 0 589.264 6.539 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c1 ZINC000408558929 572246380 /nfs/dbraw/zinc/24/63/80/572246380.db2.gz WRKXAERBYPHMLO-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000408559095 572246407 /nfs/dbraw/zinc/24/64/07/572246407.db2.gz UHSASBFYDUVKHL-UHFFFAOYSA-N 0 0 561.376 5.536 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408560437 572247491 /nfs/dbraw/zinc/24/74/91/572247491.db2.gz ZNHCCUCHQYNRCW-HSZRJFAPSA-N 0 0 594.827 6.889 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563844 572249804 /nfs/dbraw/zinc/24/98/04/572249804.db2.gz BDEIMUKMDCZMHZ-UQBYDPJISA-N 0 0 568.855 5.736 40 5 KKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408564129 572250050 /nfs/dbraw/zinc/25/00/50/572250050.db2.gz YCORKEVMZVJEEO-XDOYNYLZSA-N 0 0 505.350 5.119 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564395 572250457 /nfs/dbraw/zinc/25/04/57/572250457.db2.gz CMUZECKZIBMNGH-OCAOGGMISA-N 0 0 612.908 6.135 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564691 572250682 /nfs/dbraw/zinc/25/06/82/572250682.db2.gz DPTRSPVAGUNNEY-PWBHZWRTSA-N 0 0 516.356 5.233 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408564772 572250770 /nfs/dbraw/zinc/25/07/70/572250770.db2.gz ABUOTCNJTFLGAR-QFIPXVFZSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC ZINC000408564770 572250830 /nfs/dbraw/zinc/25/08/30/572250830.db2.gz ABPZRKZWIBFAPT-HXUWFJFHSA-N 0 0 521.437 5.472 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564830 572251049 /nfs/dbraw/zinc/25/10/49/572251049.db2.gz AMIDJPBFXMFFRW-DEOSSOPVSA-N 0 0 638.371 7.733 40 5 KKBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408564801 572251087 /nfs/dbraw/zinc/25/10/87/572251087.db2.gz AIITZSGIMQIHQF-IBGZPJMESA-N 0 0 507.410 5.164 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408564889 572251203 /nfs/dbraw/zinc/25/12/03/572251203.db2.gz AQWKRKZMJBSWKY-XMMPIXPASA-N 0 0 563.438 6.719 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564919 572251248 /nfs/dbraw/zinc/25/12/48/572251248.db2.gz GLAVBDWTEHOVSO-WQWSHVPRSA-N 0 0 516.356 5.233 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564958 572251475 /nfs/dbraw/zinc/25/14/75/572251475.db2.gz GUOFDSZWBGIMJQ-WQWSHVPRSA-N 0 0 516.356 5.233 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565024 572251500 /nfs/dbraw/zinc/25/15/00/572251500.db2.gz AZGGPTPIENEYMM-QFIPXVFZSA-N 0 0 567.857 7.364 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408565036 572251548 /nfs/dbraw/zinc/25/15/48/572251548.db2.gz BAYYVWQCNGJFRJ-XMMPIXPASA-N 0 0 654.370 7.351 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565085 572251794 /nfs/dbraw/zinc/25/17/94/572251794.db2.gz HQVREXIWAAZWFI-BBFXTFFKSA-N 0 0 633.326 6.398 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000408565232 572252015 /nfs/dbraw/zinc/25/20/15/572252015.db2.gz BKJLOSGLANHJNF-QHCPKHFHSA-N 0 0 588.415 6.075 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565421 572252539 /nfs/dbraw/zinc/25/25/39/572252539.db2.gz KQFOKNTZAAFJTR-BQGAEBSMSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408565413 572252617 /nfs/dbraw/zinc/25/26/17/572252617.db2.gz BVFHIUDGWRJPKO-XMMPIXPASA-N 0 0 603.470 6.184 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565518 572252788 /nfs/dbraw/zinc/25/27/88/572252788.db2.gz LFSJWGRUDUUOOB-STNVRERYSA-N 0 0 621.315 6.256 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565519 572252796 /nfs/dbraw/zinc/25/27/96/572252796.db2.gz CDWAXZOKOOVNMP-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000408565547 572252808 /nfs/dbraw/zinc/25/28/08/572252808.db2.gz CGWNPXPRVJICBJ-VWLOTQADSA-N 0 0 583.508 6.734 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000408565587 572252874 /nfs/dbraw/zinc/25/28/74/572252874.db2.gz CLCJPCGKQAYUBX-MHZLTWQESA-N 0 0 569.083 6.716 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 ZINC000408565697 572253048 /nfs/dbraw/zinc/25/30/48/572253048.db2.gz CUKGPFVAKRDQRO-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565677 572253065 /nfs/dbraw/zinc/25/30/65/572253065.db2.gz LRILBXPHHMEHSC-ZVFGGPEJSA-N 0 0 578.463 5.481 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565673 572253073 /nfs/dbraw/zinc/25/30/73/572253073.db2.gz CSEVJFAIMQPPLT-XMMPIXPASA-N 0 0 540.001 6.135 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408565744 572253158 /nfs/dbraw/zinc/25/31/58/572253158.db2.gz CZVZXIBWFJOKOQ-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408565905 572253161 /nfs/dbraw/zinc/25/31/61/572253161.db2.gz DECMMQXJHKHJJL-JOCHJYFZSA-N 0 0 535.464 5.863 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 ZINC000408565934 572253169 /nfs/dbraw/zinc/25/31/69/572253169.db2.gz DIKJXGSZOZHNBQ-AREMUKBSSA-N 0 0 682.424 8.132 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408565907 572253198 /nfs/dbraw/zinc/25/31/98/572253198.db2.gz DECMMQXJHKHJJL-QFIPXVFZSA-N 0 0 535.464 5.863 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408566053 572253280 /nfs/dbraw/zinc/25/32/80/572253280.db2.gz DRTRVVGUAMOFER-FQEVSTJZSA-N 0 0 560.242 6.689 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000408566085 572253500 /nfs/dbraw/zinc/25/35/00/572253500.db2.gz DUVRZMACMRBZKB-LJAQVGFWSA-N 0 0 540.645 6.817 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000408566241 572253554 /nfs/dbraw/zinc/25/35/54/572253554.db2.gz FCZOFBGDGPCRFO-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566411 572253706 /nfs/dbraw/zinc/25/37/06/572253706.db2.gz NUBKWSFACZTSNB-WSNNEZGNSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566738 572253856 /nfs/dbraw/zinc/25/38/56/572253856.db2.gz OONRZHYQZMFTJQ-XABOBXATSA-N 0 0 582.426 5.230 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1cccc(C)c1 ZINC000408566741 572253873 /nfs/dbraw/zinc/25/38/73/572253873.db2.gz GALQXNUOLOREHI-MUUNZHRXSA-N 0 0 510.619 6.726 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566816 572253980 /nfs/dbraw/zinc/25/39/80/572253980.db2.gz OYWXSGZYCTZSON-JQZJBFTCSA-N 0 0 614.496 6.244 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000408567163 572254196 /nfs/dbraw/zinc/25/41/96/572254196.db2.gz GQHDWYWTCUVRNW-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567109 572254209 /nfs/dbraw/zinc/25/42/09/572254209.db2.gz GMBRMPAEEDLMIZ-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567190 572254358 /nfs/dbraw/zinc/25/43/58/572254358.db2.gz QFSSJCVREVNINJ-SIJZCSJPSA-N 0 0 647.353 6.788 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408567570 572254438 /nfs/dbraw/zinc/25/44/38/572254438.db2.gz GWNYNHMCPRQDDR-DEOSSOPVSA-N 0 0 621.916 7.219 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408568144 572254699 /nfs/dbraw/zinc/25/46/99/572254699.db2.gz HTPWPIBYROTURG-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccccc1 ZINC000408568089 572254703 /nfs/dbraw/zinc/25/47/03/572254703.db2.gz HPOXGRFPSYKWDI-QHCPKHFHSA-N 0 0 525.974 5.826 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568077 572254707 /nfs/dbraw/zinc/25/47/07/572254707.db2.gz HOMOSEZFKPDBLY-XMMPIXPASA-N 0 0 648.377 7.107 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408568229 572254817 /nfs/dbraw/zinc/25/48/17/572254817.db2.gz HYJIMZNFMDPJML-VWLOTQADSA-N 0 0 622.372 7.951 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568187 572254870 /nfs/dbraw/zinc/25/48/70/572254870.db2.gz SGRMJSHLZLWWEK-MQVPCNEGSA-N 0 0 542.817 5.203 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 ZINC000408568214 572254874 /nfs/dbraw/zinc/25/48/74/572254874.db2.gz HXDVLTWNFSVGHY-XMMPIXPASA-N 0 0 603.926 7.079 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@H]1CCCN12 ZINC000408568438 572255031 /nfs/dbraw/zinc/25/50/31/572255031.db2.gz ULMQALLGCCRQCF-GYZUZPTJSA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568415 572255075 /nfs/dbraw/zinc/25/50/75/572255075.db2.gz UJPQYLSOYXQWOL-UYDITSSVSA-N 0 0 586.870 5.602 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000408568737 572255183 /nfs/dbraw/zinc/25/51/83/572255183.db2.gz IMCRADCEJLEHPR-RUZDIDTESA-N 0 0 601.498 6.792 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408568634 572255201 /nfs/dbraw/zinc/25/52/01/572255201.db2.gz IDMALYQQRFNFBI-QFIPXVFZSA-N 0 0 584.312 7.878 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1cccc(C)c1 ZINC000408569083 572255535 /nfs/dbraw/zinc/25/55/35/572255535.db2.gz ISWCSBUULWNXRS-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569376 572255592 /nfs/dbraw/zinc/25/55/92/572255592.db2.gz WCJWWADNIOIXGW-YKZUFBCQSA-N 0 0 523.589 5.339 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569562 572255723 /nfs/dbraw/zinc/25/57/23/572255723.db2.gz JNINGQXZYQDZIH-QHCPKHFHSA-N 0 0 589.899 6.689 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569496 572255772 /nfs/dbraw/zinc/25/57/72/572255772.db2.gz JIARTHJNOGSDTF-AREMUKBSSA-N 0 0 567.509 6.953 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408569624 572255876 /nfs/dbraw/zinc/25/58/76/572255876.db2.gz JXHBEHCHXPTHIT-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569701 572255914 /nfs/dbraw/zinc/25/59/14/572255914.db2.gz XBHZZJDLEQBYCL-SQOVJYTMSA-N 0 0 572.843 5.212 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408569881 572256085 /nfs/dbraw/zinc/25/60/85/572256085.db2.gz KCQDQQDUKFBHBZ-SANMLTNESA-N 0 0 597.535 6.961 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCC ZINC000408569895 572256093 /nfs/dbraw/zinc/25/60/93/572256093.db2.gz KEGJGKAPKUGXAD-OAQYLSRUSA-N 0 0 535.464 5.863 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408569976 572256126 /nfs/dbraw/zinc/25/61/26/572256126.db2.gz KLLDWLHZGALGHO-DEOSSOPVSA-N 0 0 559.475 6.889 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408570741 572256587 /nfs/dbraw/zinc/25/65/87/572256587.db2.gz MAQMYPLZMBNPFQ-RUZDIDTESA-N 0 0 638.371 7.733 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408570863 572256599 /nfs/dbraw/zinc/25/65/99/572256599.db2.gz MAUMGGVOIJLSMX-PMERELPUSA-N 0 0 554.672 7.125 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408570895 572256623 /nfs/dbraw/zinc/25/66/23/572256623.db2.gz MFZUEHGSBAWITQ-RUZDIDTESA-N 0 0 575.474 6.589 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571052 572256672 /nfs/dbraw/zinc/25/66/72/572256672.db2.gz NCBZESPNCQCSDX-QFIPXVFZSA-N 0 0 584.312 7.878 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408570972 572256673 /nfs/dbraw/zinc/25/66/73/572256673.db2.gz MMTWUNKOFICJHT-VWLOTQADSA-N 0 0 593.920 7.624 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 ZINC000408571048 572256676 /nfs/dbraw/zinc/25/66/76/572256676.db2.gz NAWZAXAIVBETAK-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408570948 572256679 /nfs/dbraw/zinc/25/66/79/572256679.db2.gz MLANSWINTGRYHC-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000408570958 572256680 /nfs/dbraw/zinc/25/66/80/572256680.db2.gz MMCXJPLYEMFDDU-QHCPKHFHSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408570959 572256690 /nfs/dbraw/zinc/25/66/90/572256690.db2.gz MMOJAKSVGMHTES-DEOSSOPVSA-N 0 0 605.461 6.704 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571068 572256815 /nfs/dbraw/zinc/25/68/15/572256815.db2.gz NFSGXCIJQOJHIB-SANMLTNESA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408571072 572256816 /nfs/dbraw/zinc/25/68/16/572256816.db2.gz NGFDOVGVRWWKMV-IBGZPJMESA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408571114 572256825 /nfs/dbraw/zinc/25/68/25/572256825.db2.gz NRIKFYQKVXQHIF-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408571090 572256831 /nfs/dbraw/zinc/25/68/31/572256831.db2.gz NLEJZRIMVPLFGP-VWLOTQADSA-N 0 0 668.397 7.741 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408571082 572256833 /nfs/dbraw/zinc/25/68/33/572256833.db2.gz NIDFDAFYXDPKGE-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408571073 572256837 /nfs/dbraw/zinc/25/68/37/572256837.db2.gz NGFDOVGVRWWKMV-LJQANCHMSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F ZINC000408571129 572256842 /nfs/dbraw/zinc/25/68/42/572256842.db2.gz NSGXMMCRGNGVFB-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571076 572256859 /nfs/dbraw/zinc/25/68/59/572256859.db2.gz NHEBOYJUIGRKRQ-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571161 572256971 /nfs/dbraw/zinc/25/69/71/572256971.db2.gz NXWRWGDETRGDTK-JOCHJYFZSA-N 0 0 551.402 6.850 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408571346 572257076 /nfs/dbraw/zinc/25/70/76/572257076.db2.gz OLAZYFWSDYIJQF-RUZDIDTESA-N 0 0 557.047 6.764 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571565 572257204 /nfs/dbraw/zinc/25/72/04/572257204.db2.gz OZSHZJQAUJZBQZ-VWLOTQADSA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571876 572257324 /nfs/dbraw/zinc/25/73/24/572257324.db2.gz PSZDIFPGFNKDQE-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408571874 572257337 /nfs/dbraw/zinc/25/73/37/572257337.db2.gz PSVWDILFPCKIKU-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408571839 572257339 /nfs/dbraw/zinc/25/73/39/572257339.db2.gz PRBNEPWODJBZAS-XMMPIXPASA-N 0 0 638.371 7.733 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408571852 572257368 /nfs/dbraw/zinc/25/73/68/572257368.db2.gz PSMBWSKVJQVTSN-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408571949 572257468 /nfs/dbraw/zinc/25/74/68/572257468.db2.gz QBFDUKTXBSVHNL-RUZDIDTESA-N 0 0 601.498 6.792 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F ZINC000408571966 572257497 /nfs/dbraw/zinc/25/74/97/572257497.db2.gz QCPHVARTCPIWCJ-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408572036 572257564 /nfs/dbraw/zinc/25/75/64/572257564.db2.gz QLGLNLVQKBWXQH-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 ZINC000408572016 572257567 /nfs/dbraw/zinc/25/75/67/572257567.db2.gz QJTOEHBPPOUIPB-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408572152 572257707 /nfs/dbraw/zinc/25/77/07/572257707.db2.gz QRVSWWWKLCQGQP-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OC)c2)cc1 ZINC000408572447 572257799 /nfs/dbraw/zinc/25/77/99/572257799.db2.gz RENWMFYWFRGEAQ-FQEVSTJZSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408572644 572257963 /nfs/dbraw/zinc/25/79/63/572257963.db2.gz RPZSKLQOKPRMAH-RUZDIDTESA-N 0 0 678.403 7.197 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408572711 572257976 /nfs/dbraw/zinc/25/79/76/572257976.db2.gz RWKYOKAEVYYBAU-XMMPIXPASA-N 0 0 559.475 6.889 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408572638 572257988 /nfs/dbraw/zinc/25/79/88/572257988.db2.gz ROGXYRVEFIAHIF-GDLZYMKVSA-N 0 0 649.567 7.588 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F ZINC000408572988 572258474 /nfs/dbraw/zinc/25/84/74/572258474.db2.gz SAVFKNXXRBOGHU-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OCC)c2)cc1 ZINC000408573100 572258609 /nfs/dbraw/zinc/25/86/09/572258609.db2.gz SLVBBGGGIJNSOF-OAQYLSRUSA-N 0 0 551.463 5.644 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1Cl ZINC000408573135 572258620 /nfs/dbraw/zinc/25/86/20/572258620.db2.gz SQEDQOQDYJCCLT-LJQANCHMSA-N 0 0 515.791 6.580 40 5 KKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408573559 572258968 /nfs/dbraw/zinc/25/89/68/572258968.db2.gz TVIYSPSAGJTPIA-XMMPIXPASA-N 0 0 501.380 7.071 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F ZINC000408573599 572259003 /nfs/dbraw/zinc/25/90/03/572259003.db2.gz TYBPIYBSJUGYGQ-AREMUKBSSA-N 0 0 522.602 6.029 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573646 572259093 /nfs/dbraw/zinc/25/90/93/572259093.db2.gz TZYUAWCSBZWVQB-MUUNZHRXSA-N 0 0 619.541 7.498 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408573978 572259225 /nfs/dbraw/zinc/25/92/25/572259225.db2.gz UIGURBDENOEBMH-SANMLTNESA-N 0 0 597.535 7.043 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408574078 572259271 /nfs/dbraw/zinc/25/92/71/572259271.db2.gz UOVSVNUSQYQIOQ-VWLOTQADSA-N 0 0 557.047 6.764 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408574434 572259611 /nfs/dbraw/zinc/25/96/11/572259611.db2.gz UUXUSRKFODUGSE-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408575034 572260047 /nfs/dbraw/zinc/26/00/47/572260047.db2.gz VQNMISPHCXMSAO-SANMLTNESA-N 0 0 539.057 6.625 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000408575043 572260077 /nfs/dbraw/zinc/26/00/77/572260077.db2.gz VRMFVHKYJYJVBV-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408575073 572260185 /nfs/dbraw/zinc/26/01/85/572260185.db2.gz VYBAJPGXDDOLQU-SANMLTNESA-N 0 0 539.057 6.625 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575078 572260207 /nfs/dbraw/zinc/26/02/07/572260207.db2.gz VYKNFLVMEKZGKG-DEOSSOPVSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408575561 572260544 /nfs/dbraw/zinc/26/05/44/572260544.db2.gz WNGAPIOCTHUKOU-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000408576024 572260950 /nfs/dbraw/zinc/26/09/50/572260950.db2.gz XESHSVXLJKIFBT-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408576502 572261245 /nfs/dbraw/zinc/26/12/45/572261245.db2.gz XNJQUMGNCIBBBZ-HSZRJFAPSA-N 0 0 579.893 7.234 40 5 KKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408576571 572261314 /nfs/dbraw/zinc/26/13/14/572261314.db2.gz XSIGNTCNCVAMHZ-XMMPIXPASA-N 0 0 501.380 7.071 40 5 KKBBRN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 ZINC000252481795 572261476 /nfs/dbraw/zinc/26/14/76/572261476.db2.gz CRZXRKYCNSIOOY-UHFFFAOYSA-N 0 0 500.864 7.120 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(F)cc1 ZINC000408577365 572261906 /nfs/dbraw/zinc/26/19/06/572261906.db2.gz ZBGRWHLCHVLOAM-MHZLTWQESA-N 0 0 514.582 6.557 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408577234 572261920 /nfs/dbraw/zinc/26/19/20/572261920.db2.gz YTYFIJNGLHCHHY-HSZRJFAPSA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577447 572261934 /nfs/dbraw/zinc/26/19/34/572261934.db2.gz ZNMXAOCSGRWLIX-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408577508 572262015 /nfs/dbraw/zinc/26/20/15/572262015.db2.gz ZRISJSJXWXEPEL-QHCPKHFHSA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408577516 572262042 /nfs/dbraw/zinc/26/20/42/572262042.db2.gz ZRKMPEAGQAJKMI-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408577496 572262043 /nfs/dbraw/zinc/26/20/43/572262043.db2.gz ZQVFPPDGVMVCKW-DEOSSOPVSA-N 0 0 638.371 7.651 40 5 KKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408577770 572262322 /nfs/dbraw/zinc/26/23/22/572262322.db2.gz ZUKJZCNLALYZLB-FQEVSTJZSA-N 0 0 520.210 7.225 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577787 572262431 /nfs/dbraw/zinc/26/24/31/572262431.db2.gz ZWMPFLOVYFPCCE-FQEVSTJZSA-N 0 0 515.791 6.580 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000408582112 572264726 /nfs/dbraw/zinc/26/47/26/572264726.db2.gz BMLKXDTXKVVUEH-UHFFFAOYSA-N 0 0 589.225 6.698 40 5 KKBBRN Cc1cccc(NC(=O)COc2c(Br)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)c1 ZINC000408603876 572273874 /nfs/dbraw/zinc/27/38/74/572273874.db2.gz BXAVPWQSTFPVHZ-UHFFFAOYSA-N 0 0 549.219 6.058 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408604022 572273878 /nfs/dbraw/zinc/27/38/78/572273878.db2.gz CROIFHUQBPCSMG-UHFFFAOYSA-N 0 0 501.288 7.724 40 5 KKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408605895 572274599 /nfs/dbraw/zinc/27/45/99/572274599.db2.gz HDUREVNEHCTYLI-UHFFFAOYSA-N 0 0 587.729 6.703 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408608995 572275626 /nfs/dbraw/zinc/27/56/26/572275626.db2.gz NIKJAMJKKDWDBL-UHFFFAOYSA-N 0 0 500.349 5.386 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000408611572 572276569 /nfs/dbraw/zinc/27/65/69/572276569.db2.gz TZTHTDTYWCYXDW-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408613728 572277344 /nfs/dbraw/zinc/27/73/44/572277344.db2.gz ZUJRLVIMHYGCFL-UHFFFAOYSA-N 0 0 581.794 5.799 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408615676 572278460 /nfs/dbraw/zinc/27/84/60/572278460.db2.gz CBEVJFVVWRQXCM-UHFFFAOYSA-N 0 0 615.108 5.415 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408618408 572280112 /nfs/dbraw/zinc/28/01/12/572280112.db2.gz KGAJQEBRRZIZHT-UHFFFAOYSA-N 0 0 592.379 6.071 40 5 KKBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 ZINC000408625849 572283593 /nfs/dbraw/zinc/28/35/93/572283593.db2.gz YJBCOCLWCJUSGP-UHFFFAOYSA-N 0 0 532.334 5.738 40 5 KKBBRN CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000408630178 572285865 /nfs/dbraw/zinc/28/58/65/572285865.db2.gz OUSXRBIQDYKMTE-UHFFFAOYSA-N 0 0 608.094 5.126 40 5 KKBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408639215 572295609 /nfs/dbraw/zinc/29/56/09/572295609.db2.gz FCEMMNBPLXQDCZ-UHFFFAOYSA-N 0 0 597.194 5.753 40 5 KKBBRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639721 572296019 /nfs/dbraw/zinc/29/60/19/572296019.db2.gz YEZXTXULXYKZCX-QFIPXVFZSA-N 0 0 560.559 5.123 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408639794 572296038 /nfs/dbraw/zinc/29/60/38/572296038.db2.gz ZPKYWDOCCDMEJC-HSZRJFAPSA-N 0 0 536.540 5.833 40 5 KKBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408639834 572296159 /nfs/dbraw/zinc/29/61/59/572296159.db2.gz GIBFOYLMAZYOAS-OAHLLOKOSA-N 0 0 595.222 6.523 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408640500 572296485 /nfs/dbraw/zinc/29/64/85/572296485.db2.gz IFQMHRQIHASAMW-WQWSHVPRSA-N 0 0 638.460 5.782 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408641373 572296996 /nfs/dbraw/zinc/29/69/96/572296996.db2.gz KEBVAFACSHZMMV-UHFFFAOYSA-N 0 0 601.613 6.398 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408641608 572297178 /nfs/dbraw/zinc/29/71/78/572297178.db2.gz KPWZCVSFBMVUBU-GFCCVEGCSA-N 0 0 773.026 6.878 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408642634 572297839 /nfs/dbraw/zinc/29/78/39/572297839.db2.gz NMPCXNCAOZAGCW-DPQOWFAMSA-N 0 0 604.015 5.129 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1 ZINC000408642816 572297962 /nfs/dbraw/zinc/29/79/62/572297962.db2.gz NYTOPZKQIMDAPD-UHFFFAOYSA-N 0 0 779.417 6.835 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408643114 572298038 /nfs/dbraw/zinc/29/80/38/572298038.db2.gz FOGZZLAIYUFZDG-AGTZKDDFSA-N 0 0 626.452 6.034 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408643991 572298471 /nfs/dbraw/zinc/29/84/71/572298471.db2.gz QKTLZMJJRIIWIG-ZCYQVOJMSA-N 0 0 636.444 5.702 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000408644488 572298740 /nfs/dbraw/zinc/29/87/40/572298740.db2.gz FZVIWXGONULZII-UHFFFAOYSA-N 0 0 561.594 6.801 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408644641 572298840 /nfs/dbraw/zinc/29/88/40/572298840.db2.gz HDKCMSSGHBWARV-BOVDGQEDSA-N 0 0 646.450 5.014 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408646353 572299837 /nfs/dbraw/zinc/29/98/37/572299837.db2.gz ITGLOJQMVMOFPG-QHCPKHFHSA-N 0 0 581.537 5.741 40 5 KKBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408646778 572300171 /nfs/dbraw/zinc/30/01/71/572300171.db2.gz UMGPTHWFOFFXLE-NSHDSACASA-N 0 0 581.195 6.133 40 5 KKBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408646849 572300260 /nfs/dbraw/zinc/30/02/60/572300260.db2.gz IYSPJCPNVHLSAI-ZXLJMPJZSA-N 0 0 571.589 5.116 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647202 572300379 /nfs/dbraw/zinc/30/03/79/572300379.db2.gz BHVSQRLDWALTDL-HMZNYUFESA-N 0 0 661.925 6.496 40 5 KKBBRN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408647918 572300765 /nfs/dbraw/zinc/30/07/65/572300765.db2.gz BXYMQOGSSILDCC-KBKVPSQQSA-N 0 0 655.490 5.525 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408648510 572301209 /nfs/dbraw/zinc/30/12/09/572301209.db2.gz WNQFGNOGISEIDW-UHFFFAOYSA-N 0 0 542.331 5.083 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] ZINC000408648884 572301472 /nfs/dbraw/zinc/30/14/72/572301472.db2.gz CQCAMBRRNJBHNA-ZHKRYAAZSA-N 0 0 593.463 5.792 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408650099 572302363 /nfs/dbraw/zinc/30/23/63/572302363.db2.gz ZLBLVMULJKCPMS-WQWSHVPRSA-N 0 0 638.460 5.782 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000254341021 572302445 /nfs/dbraw/zinc/30/24/45/572302445.db2.gz OENHQHLEOONYIE-WQRUXFHQSA-N 0 0 536.888 12.606 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1C ZINC000408650263 572302477 /nfs/dbraw/zinc/30/24/77/572302477.db2.gz MCTNNIQAIFUZPL-LNZWSYKSSA-N 0 0 585.616 5.344 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408650689 572302770 /nfs/dbraw/zinc/30/27/70/572302770.db2.gz MRFCBPADRIXUTE-MFTWVQLTSA-N 0 0 746.559 7.253 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408651093 572303063 /nfs/dbraw/zinc/30/30/63/572303063.db2.gz GKMCAUQPIUALOM-ZOMWRJOCSA-N 0 0 627.480 5.843 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000408651658 572303380 /nfs/dbraw/zinc/30/33/80/572303380.db2.gz NRYFBKULQWQKJK-YICQYGDHSA-N 0 0 608.434 6.131 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000255195099 572303925 /nfs/dbraw/zinc/30/39/25/572303925.db2.gz ANVAOWXLWRTKGA-GIJPNFHLSA-N 0 0 536.888 12.462 40 5 KKBBRN CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652891 572304129 /nfs/dbraw/zinc/30/41/29/572304129.db2.gz IMLHVTLKOFHXMM-GNBTXOOPSA-N 0 0 613.881 5.909 40 5 KKBBRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O ZINC000408655262 572305526 /nfs/dbraw/zinc/30/55/26/572305526.db2.gz RKPBQIZBQUKEFL-SFHVURJKSA-N 0 0 508.914 5.128 40 5 KKBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1cccc([N+](=O)[O-])c1 ZINC000408655512 572305584 /nfs/dbraw/zinc/30/55/84/572305584.db2.gz KWXBCQMULGOGOL-WPSKXCBGSA-N 0 0 627.436 5.732 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)CC1=O ZINC000408657594 572306754 /nfs/dbraw/zinc/30/67/54/572306754.db2.gz INTPYFSFTUTUBS-LLVKDONJSA-N 0 0 639.231 5.976 40 5 KKBBRN Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408657835 572306887 /nfs/dbraw/zinc/30/68/87/572306887.db2.gz NQJUXGSXHQWLET-CGHKXIPFSA-N 0 0 578.452 5.460 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408658114 572307076 /nfs/dbraw/zinc/30/70/76/572307076.db2.gz UWEKBESETJXEAM-QGZVFWFLSA-N 0 0 571.369 5.208 40 5 KKBBRN CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408659229 572307715 /nfs/dbraw/zinc/30/77/15/572307715.db2.gz OXGMZSAKDLBBOR-WSBYISODSA-N 0 0 564.425 5.151 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1 ZINC000408661313 572308860 /nfs/dbraw/zinc/30/88/60/572308860.db2.gz QMOKLRISHNUBLJ-HCOICLPRSA-N 0 0 593.463 5.792 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)c2)CC1=O ZINC000408662026 572309270 /nfs/dbraw/zinc/30/92/70/572309270.db2.gz MJWNOUKZNKRYRO-NSHDSACASA-N 0 0 639.231 5.976 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408663064 572309874 /nfs/dbraw/zinc/30/98/74/572309874.db2.gz YCUKCAZEGPTTMR-GOTSBHOMSA-N 0 0 594.407 5.885 40 5 KKBBRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000408663280 572310101 /nfs/dbraw/zinc/31/01/01/572310101.db2.gz HIDWFWQMJPHWSC-UHFFFAOYSA-N 0 0 505.527 5.295 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408663391 572310172 /nfs/dbraw/zinc/31/01/72/572310172.db2.gz SCQZQHNWAZSVIJ-NTDMNLGMSA-N 0 0 633.871 6.703 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408663392 572310178 /nfs/dbraw/zinc/31/01/78/572310178.db2.gz SCQZQHNWAZSVIJ-QXUFZFKLSA-N 0 0 633.871 6.703 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408663976 572310520 /nfs/dbraw/zinc/31/05/20/572310520.db2.gz YMAFFFYQBHGKPW-BYVQZYKMSA-N 0 0 571.589 5.036 40 5 KKBBRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408664603 572310931 /nfs/dbraw/zinc/31/09/31/572310931.db2.gz SUSKJUKQJPDASN-HMZNYUFESA-N 0 0 626.496 6.046 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408664996 572311112 /nfs/dbraw/zinc/31/11/12/572311112.db2.gz ZBPCFWFOBIUMQL-MROGCYOMSA-N 0 0 636.444 5.558 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408666048 572311773 /nfs/dbraw/zinc/31/17/73/572311773.db2.gz ZWUBICOPLAHPQH-DHIUTWEWSA-N 0 0 622.417 5.312 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408666533 572312035 /nfs/dbraw/zinc/31/20/35/572312035.db2.gz VBIOCTHXIPSXAG-GJLUAVECSA-N 0 0 627.480 5.843 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408666543 572312131 /nfs/dbraw/zinc/31/21/31/572312131.db2.gz VCELPUYJQLIJMQ-FZNVTIIDSA-N 0 0 627.908 6.445 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408666575 572312157 /nfs/dbraw/zinc/31/21/57/572312157.db2.gz VDMCBQXZHLNRBF-JFSLJLJWSA-N 0 0 612.469 5.738 40 5 KKBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] ZINC000408667002 572312429 /nfs/dbraw/zinc/31/24/29/572312429.db2.gz ATRZGVZQOGTDTA-UHFFFAOYSA-N 0 0 542.544 6.084 40 5 KKBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408668977 572313621 /nfs/dbraw/zinc/31/36/21/572313621.db2.gz RPGBWWFTHILWIY-LBPRGKRZSA-N 0 0 623.232 6.276 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408669916 572314391 /nfs/dbraw/zinc/31/43/91/572314391.db2.gz XLIWSULZDVCMSC-KPHNHAPKSA-N 0 0 599.426 6.049 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000408670290 572314551 /nfs/dbraw/zinc/31/45/51/572314551.db2.gz ZFTQRJHLYQLRSB-UHFFFAOYSA-N 0 0 541.944 5.340 40 5 KKBBRN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4ccccc4C)c2)C3=O)cc1[N+](=O)[O-] ZINC000408670702 572314957 /nfs/dbraw/zinc/31/49/57/572314957.db2.gz JBVLIVCBBZQLAC-UHFFFAOYSA-N 0 0 593.548 5.004 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408670954 572315147 /nfs/dbraw/zinc/31/51/47/572315147.db2.gz XUNGBWSWOXWJPM-IBGZPJMESA-N 0 0 531.565 5.219 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000408671770 572315689 /nfs/dbraw/zinc/31/56/89/572315689.db2.gz UQHDKFXBPLPHLY-UHFFFAOYSA-N 0 0 533.581 6.028 40 5 KKBBRN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(NC(=O)c4ccc(Br)cc4)c2)C3=O)cc1[N+](=O)[O-] ZINC000408674204 572317127 /nfs/dbraw/zinc/31/71/27/572317127.db2.gz YEHBONOHDRMKPF-UHFFFAOYSA-N 0 0 658.417 5.459 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408676254 572318485 /nfs/dbraw/zinc/31/84/85/572318485.db2.gz APUXPYINERKJPS-FZDFQQAASA-N 0 0 608.994 5.606 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408679914 572320877 /nfs/dbraw/zinc/32/08/77/572320877.db2.gz FOUBGXFYQMEUJO-QYVRTBTHSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C1c2ccc3c4ccc5c6c4c(c4c3c2C(=CC4)C(=O)N1CCc1ccccc1)C=C[C@H]6C(=O)N(CCc1ccccc1)C5=O ZINC000100053434 1069695444 /nfs/dbraw/zinc/69/54/44/1069695444.db2.gz XBRCPAMBVIZHBB-SSEXGKCCSA-N 0 0 600.674 6.493 40 5 KKBBRN C[C@@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(N[C@@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 ZINC000102415397 1069702337 /nfs/dbraw/zinc/70/23/37/1069702337.db2.gz SYOCSCGDXHZTRO-ZWKOTPCHSA-N 0 0 572.599 5.927 40 5 KKBBRN Cc1ccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Oc4ccc(C)cc4)ccc32)cc1 ZINC000102415314 1069702415 /nfs/dbraw/zinc/70/24/15/1069702415.db2.gz QWWBUUIJGDLEMP-UHFFFAOYSA-N 0 0 536.583 5.098 40 5 KKBBRN Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] ZINC000103860525 1069714190 /nfs/dbraw/zinc/71/41/90/1069714190.db2.gz CZNSMTDXTYYCJM-ITNPZBTBSA-N 0 0 580.065 6.449 40 5 KKBBRN Cn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409136594 1069787364 /nfs/dbraw/zinc/78/73/64/1069787364.db2.gz XRFPBBZLVHDPMN-UHFFFAOYSA-N 0 0 531.417 5.007 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000409176954 1069795466 /nfs/dbraw/zinc/79/54/66/1069795466.db2.gz CEDTYKMBAMSDBS-AREMUKBSSA-N 0 0 505.486 6.093 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408772453 1069884507 /nfs/dbraw/zinc/88/45/07/1069884507.db2.gz PKQIAJNIULCJRC-CBYYHRJHSA-N 0 0 540.439 6.098 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408779787 1069901501 /nfs/dbraw/zinc/90/15/01/1069901501.db2.gz KJMRFKCLTVHNAS-MIUGUJGPSA-N 0 0 611.035 6.049 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408779366 1069900673 /nfs/dbraw/zinc/90/06/73/1069900673.db2.gz VORQJTUWAIVEPG-QDNAUZDWSA-N 0 0 619.335 6.861 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408783812 1069910591 /nfs/dbraw/zinc/91/05/91/1069910591.db2.gz RIPWUVQCWSUCBT-CBYYHRJHSA-N 0 0 587.439 5.940 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408791228 1069930111 /nfs/dbraw/zinc/93/01/11/1069930111.db2.gz XNOKROWGZBKGOG-JOHYPREOSA-N 0 0 665.699 5.571 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810070 1069963029 /nfs/dbraw/zinc/96/30/29/1069963029.db2.gz IVXIAQDLGXOCBQ-QYIOYSLNSA-N 0 0 887.465 6.771 40 5 KKBBRN COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc(OC)c1OC ZINC000408822961 1069985224 /nfs/dbraw/zinc/98/52/24/1069985224.db2.gz DCHCFLHJBPJDQI-UHFFFAOYSA-N 0 0 505.552 5.972 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408822430 1069982767 /nfs/dbraw/zinc/98/27/67/1069982767.db2.gz BRIBQFSNGRTKJO-QARYAGPDSA-N 0 0 713.950 5.610 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823976 1069989931 /nfs/dbraw/zinc/98/99/31/1069989931.db2.gz HEBAATFSMXHPRP-MFCBUNOESA-N 0 0 682.980 6.010 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408828277 1070009031 /nfs/dbraw/zinc/00/90/31/1070009031.db2.gz JIYYNZICAUGOSF-HVDVVURSSA-N 0 0 636.686 5.449 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408824991 1070011116 /nfs/dbraw/zinc/01/11/16/1070011116.db2.gz CDDFUJWOGWMYQC-CWJUKMOQSA-N 0 0 613.623 5.267 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 ZINC000408831072 1070019745 /nfs/dbraw/zinc/01/97/45/1070019745.db2.gz PLCDKDCCBUWOEL-USDTVRPUSA-N 0 0 610.623 5.190 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408831380 1070020518 /nfs/dbraw/zinc/02/05/18/1070020518.db2.gz PHFLHIGSYZKCHZ-VPHSIRQSSA-N 0 0 755.587 5.297 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408830926 1070019306 /nfs/dbraw/zinc/01/93/06/1070019306.db2.gz ZBIQIRBSXJIIFD-ZSJKCPIUSA-N 0 0 703.398 6.355 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834898 1070035604 /nfs/dbraw/zinc/03/56/04/1070035604.db2.gz WFBHESVWVIAPPG-LCQSEVKBSA-N 0 0 648.535 5.356 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000408838429 1070048128 /nfs/dbraw/zinc/04/81/28/1070048128.db2.gz WBGGCFZXPUFGCZ-UAMLYEQYSA-N 0 0 563.610 5.934 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1ccccc1 ZINC000408843574 1070048556 /nfs/dbraw/zinc/04/85/56/1070048556.db2.gz MFGKITPDLTWZCV-LDADJPATSA-N 0 0 504.907 6.027 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408872302 1070097084 /nfs/dbraw/zinc/09/70/84/1070097084.db2.gz CRYLWPVTVNXJHF-UUYOSTAYSA-N 0 0 681.302 6.786 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917886 1070209859 /nfs/dbraw/zinc/20/98/59/1070209859.db2.gz CJBCSAPPDSMGPE-YQORSWRPSA-N 0 0 554.194 5.261 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408916309 1070219648 /nfs/dbraw/zinc/21/96/48/1070219648.db2.gz BPFWJNXCMFXPLF-JVWAILMASA-N 0 0 619.493 7.725 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408916267 1070219676 /nfs/dbraw/zinc/21/96/76/1070219676.db2.gz ARGQKWHDKZNWFZ-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408916480 1070220479 /nfs/dbraw/zinc/22/04/79/1070220479.db2.gz CZUDAIYMBWPKME-ZVHZXABRSA-N 0 0 583.460 6.880 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408916826 1070222325 /nfs/dbraw/zinc/22/23/25/1070222325.db2.gz ZLIUBUJMDPOMSY-FUAQWRKOSA-N 0 0 770.658 6.593 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408919051 1070233985 /nfs/dbraw/zinc/23/39/85/1070233985.db2.gz RZHOOIAWQDACDC-ISZRBDKASA-N 0 0 728.621 6.600 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408919233 1070235105 /nfs/dbraw/zinc/23/51/05/1070235105.db2.gz VAXIYAZXYWZEGE-YDZHTSKRSA-N 0 0 695.329 7.176 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408927237 1070245769 /nfs/dbraw/zinc/24/57/69/1070245769.db2.gz VRGSKDBKGGOKKC-HKXGNNSISA-N 0 0 644.558 6.384 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000408927701 1070247515 /nfs/dbraw/zinc/24/75/15/1070247515.db2.gz XDZCJGGLMBWKNT-PKYOQBLNSA-N 0 0 615.733 5.396 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000408930238 1070259717 /nfs/dbraw/zinc/25/97/17/1070259717.db2.gz UNILTXAOZRPYJU-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408935197 1070272360 /nfs/dbraw/zinc/27/23/60/1070272360.db2.gz MXXSFMRACNZEMG-MKTOWPBFSA-N 0 0 773.456 5.828 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n21 ZINC000408936092 1070274847 /nfs/dbraw/zinc/27/48/47/1070274847.db2.gz FKESLOOGBHXALX-NFYDWNOTSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)cc1OCC ZINC000408939641 1070283240 /nfs/dbraw/zinc/28/32/40/1070283240.db2.gz TVIXYWJNQCQSKH-BLIVLRGHSA-N 0 0 564.663 5.122 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408940039 1070284871 /nfs/dbraw/zinc/28/48/71/1070284871.db2.gz JCMBOZVGNMCLCG-UONGPDOGSA-N 0 0 712.550 5.204 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408942590 1070303380 /nfs/dbraw/zinc/30/33/80/1070303380.db2.gz GGJIVLQSYNQPQJ-WXKAHTKJSA-N 0 0 755.647 6.531 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n21 ZINC000408946851 1070310010 /nfs/dbraw/zinc/31/00/10/1070310010.db2.gz ISUIKYKAPCYQJE-VAJDVHEVSA-N 0 0 789.708 7.991 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408950097 1070307651 /nfs/dbraw/zinc/30/76/51/1070307651.db2.gz RNTPTZITGZTJMB-WXKAHTKJSA-N 0 0 711.196 6.422 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408951908 1070321176 /nfs/dbraw/zinc/32/11/76/1070321176.db2.gz VEGXZRSFUADMTL-ORVZPOCUSA-N 0 0 652.523 5.435 40 5 KKBBRN COc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408988067 1070350942 /nfs/dbraw/zinc/35/09/42/1070350942.db2.gz CKJIAVIWQVENRB-UHFFFAOYSA-N 0 0 546.377 6.680 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408983718 1070351638 /nfs/dbraw/zinc/35/16/38/1070351638.db2.gz HFRXXOMWSRBELR-JAIQZWGSSA-N 0 0 537.322 5.320 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408992020 1070358957 /nfs/dbraw/zinc/35/89/57/1070358957.db2.gz PZRVWGSHRHEKMO-VZVSMJQGSA-N 0 0 659.764 6.546 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c1C ZINC000408995287 1070363591 /nfs/dbraw/zinc/36/35/91/1070363591.db2.gz LTCHCZZDPIIDKG-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408988810 1070361237 /nfs/dbraw/zinc/36/12/37/1070361237.db2.gz RQQZOMMZPAJTGT-GRPHBVMCSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996444 1070365654 /nfs/dbraw/zinc/36/56/54/1070365654.db2.gz OZXYCGDMAGPBIU-MDINZUHSSA-N 0 0 738.660 7.309 40 5 KKBBRN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408993329 1070368580 /nfs/dbraw/zinc/36/85/80/1070368580.db2.gz VPAHJSSEPADJHK-UHFFFAOYSA-N 0 0 637.724 7.412 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408995039 1070371592 /nfs/dbraw/zinc/37/15/92/1070371592.db2.gz KZJUUBCTPJRONI-JBVGNYNVSA-N 0 0 736.853 5.757 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409026579 1070410437 /nfs/dbraw/zinc/41/04/37/1070410437.db2.gz SMURUTSXUJXLIN-UHFFFAOYSA-N 0 0 589.714 6.214 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409038902 1070429812 /nfs/dbraw/zinc/42/98/12/1070429812.db2.gz PUJKXQLUCSJOTR-FQKMCRJQSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037533 1070440300 /nfs/dbraw/zinc/44/03/00/1070440300.db2.gz SQVQNAPUGVAESF-PGUFECHJSA-N 0 0 741.697 5.468 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046513 1070448074 /nfs/dbraw/zinc/44/80/74/1070448074.db2.gz KLAICQHCIDPRIZ-FIXXDFOUSA-N 0 0 752.640 5.852 40 5 KKBBRN O=C1C(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)NC(=S)N1C1CCCCC1 ZINC000409076482 1070490936 /nfs/dbraw/zinc/49/09/36/1070490936.db2.gz AVAGEVDBSIKHPX-NDENLUEZSA-N 0 0 689.313 5.773 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081762 1070504859 /nfs/dbraw/zinc/50/48/59/1070504859.db2.gz KZAMGKQKJVCWNO-SUAMDDGLSA-N 0 0 701.020 6.282 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409083033 1070507861 /nfs/dbraw/zinc/50/78/61/1070507861.db2.gz NIPOHISPWLMYQI-XIHDXPBISA-N 0 0 808.478 6.984 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409079529 1070515892 /nfs/dbraw/zinc/51/58/92/1070515892.db2.gz BPBJEGBMWQZPFM-YXDQGSNCSA-N 0 0 658.914 5.391 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000409097930 1070530942 /nfs/dbraw/zinc/53/09/42/1070530942.db2.gz OXKFOHQNIACXRV-LPYMAVHISA-N 0 0 507.524 5.237 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101651 1070534497 /nfs/dbraw/zinc/53/44/97/1070534497.db2.gz WYFZCAOIIJHTNW-GVMLUORFSA-N 0 0 611.507 5.579 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103233 1070535511 /nfs/dbraw/zinc/53/55/11/1070535511.db2.gz GAJVGRHPQRRHFZ-QEEORQGDSA-N 0 0 691.593 6.740 40 5 KKBBRN COc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111172 1070537454 /nfs/dbraw/zinc/53/74/54/1070537454.db2.gz CAVNFBZAXDNZFL-UHFFFAOYSA-N 0 0 518.351 6.016 40 5 KKBBRN CCOc1cc(CNc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119979 1070546358 /nfs/dbraw/zinc/54/63/58/1070546358.db2.gz RPQMCEHRRYCCOG-UHFFFAOYSA-N 0 0 532.378 6.406 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409133183 1070557891 /nfs/dbraw/zinc/55/78/91/1070557891.db2.gz ZZTMWNHNRQUBHJ-OEAKJJBVSA-N 0 0 575.481 6.952 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409139390 1070562859 /nfs/dbraw/zinc/56/28/59/1070562859.db2.gz DDAHSPPFVVBCKL-PQRKSKNISA-N 0 0 634.743 5.340 40 5 KKBBRN COc1ccccc1NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409138988 1070562949 /nfs/dbraw/zinc/56/29/49/1070562949.db2.gz KUMUBIDYQKAWQU-PSXMRANNSA-N 0 0 628.685 6.982 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409143877 1070571606 /nfs/dbraw/zinc/57/16/06/1070571606.db2.gz OCRIJYGOUOGDGN-HRIDGTDGSA-N 0 0 652.733 5.479 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 ZINC000409150907 1070569225 /nfs/dbraw/zinc/56/92/25/1070569225.db2.gz DYFIEJNGHUUTLE-SRZZPIQSSA-N 0 0 577.924 6.734 40 5 KKBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409159321 1070575048 /nfs/dbraw/zinc/57/50/48/1070575048.db2.gz SPXRPHFVPFBLKM-GSASKQFNSA-N 0 0 679.751 6.210 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409162613 1070581301 /nfs/dbraw/zinc/58/13/01/1070581301.db2.gz XPWSCALNHZLOMR-ZWTBYVTRSA-N 0 0 772.428 6.027 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409162658 1070581391 /nfs/dbraw/zinc/58/13/91/1070581391.db2.gz GSPPFZHJGBBBDW-SSDVNMTOSA-N 0 0 607.950 6.743 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000409164104 1070582645 /nfs/dbraw/zinc/58/26/45/1070582645.db2.gz CKRZIYCZRKQPLY-DTDQMKFYSA-N 0 0 635.698 5.729 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409188672 1070596875 /nfs/dbraw/zinc/59/68/75/1070596875.db2.gz JMVJTYQNNZGRRN-HGGMLFSRSA-N 0 0 807.354 7.714 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1OCC ZINC000409188861 1070597466 /nfs/dbraw/zinc/59/74/66/1070597466.db2.gz BEGKBOIKNUKVOJ-VXAIQDGOSA-N 0 0 558.543 5.364 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180798 1070597954 /nfs/dbraw/zinc/59/79/54/1070597954.db2.gz RSPSCRPOYIMXSU-KAEGSSFASA-N 0 0 627.122 5.671 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409192885 1070610561 /nfs/dbraw/zinc/61/05/61/1070610561.db2.gz FOKQIPYQSDSWAU-IPWSNOIBSA-N 0 0 662.674 6.745 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409197866 1070618889 /nfs/dbraw/zinc/61/88/89/1070618889.db2.gz QOLNLSGFAIMDRX-UFFVCSGVSA-N 0 0 573.505 5.275 40 5 KKBBRN COc1ccc(-c2s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409204156 1070629401 /nfs/dbraw/zinc/62/94/01/1070629401.db2.gz CKYVGYRKHHZXCS-RFBIWTDZSA-N 0 0 509.971 5.741 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409221204 1070648554 /nfs/dbraw/zinc/64/85/54/1070648554.db2.gz MOEOUKBGHFRWNB-XDHOZWIPSA-N 0 0 507.362 5.009 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409273025 1070711703 /nfs/dbraw/zinc/71/17/03/1070711703.db2.gz UWROTVPMCWFUOT-UHFFFAOYSA-N 0 0 598.102 6.550 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1C ZINC000409273630 1070713212 /nfs/dbraw/zinc/71/32/12/1070713212.db2.gz KKSLEPBDTCWQQV-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409273891 1070713655 /nfs/dbraw/zinc/71/36/55/1070713655.db2.gz MPZJHGCGJOWUSV-FMCGGJTJSA-N 0 0 570.048 6.391 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409274887 1070717305 /nfs/dbraw/zinc/71/73/05/1070717305.db2.gz QYGBEEXDPRFEGO-AFUMVMLFSA-N 0 0 552.992 6.145 40 5 KKBBRN O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409275010 1070717816 /nfs/dbraw/zinc/71/78/16/1070717816.db2.gz HCWLTIJHSOIFSG-JAIQZWGSSA-N 0 0 520.872 7.300 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408879931 1070790708 /nfs/dbraw/zinc/79/07/08/1070790708.db2.gz GCUZLTJZQZIOLL-NHDPSOOVSA-N 0 0 583.376 5.227 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSCC(=O)Nc4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000409332359 1070836746 /nfs/dbraw/zinc/83/67/46/1070836746.db2.gz DMAOMWLOMXKICD-UHFFFAOYSA-N 0 0 597.700 5.254 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346240 1070862434 /nfs/dbraw/zinc/86/24/34/1070862434.db2.gz LNRQZTDKNIMJOW-DYCDSJFESA-N 0 0 808.478 6.904 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355436 1070875499 /nfs/dbraw/zinc/87/54/99/1070875499.db2.gz CIOXVDUTXNTXTO-ZWTBYVTRSA-N 0 0 855.876 6.457 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409374704 1070898536 /nfs/dbraw/zinc/89/85/36/1070898536.db2.gz XEGDVOGETFHXDY-AFUMVMLFSA-N 0 0 561.616 5.783 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409387641 1070909691 /nfs/dbraw/zinc/90/96/91/1070909691.db2.gz JGNPAQZOEKDTDH-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409410221 1070919667 /nfs/dbraw/zinc/91/96/67/1070919667.db2.gz LMWHSGRSTZZIAS-UHFFFAOYSA-N 0 0 517.563 5.530 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408910007 1070971401 /nfs/dbraw/zinc/97/14/01/1070971401.db2.gz VPXSGLIKPIEFHK-OGMUYLFESA-N 0 0 673.744 5.092 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408909116 1070978897 /nfs/dbraw/zinc/97/88/97/1070978897.db2.gz GBJKJESCLXSOHW-CLNXTWJPSA-N 0 0 653.738 5.493 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408908513 1070984516 /nfs/dbraw/zinc/98/45/16/1070984516.db2.gz FKOVZIABOMUAMZ-IQPMGOHCSA-N 0 0 734.812 5.434 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C ZINC000408916995 1070993600 /nfs/dbraw/zinc/99/36/00/1070993600.db2.gz KIPOESQIUYYNRC-VCHYOVAHSA-N 0 0 507.362 5.390 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408916745 1070997346 /nfs/dbraw/zinc/99/73/46/1070997346.db2.gz GURSCJMFCUNILT-LPYMAVHISA-N 0 0 645.431 5.462 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000408914163 1071014432 /nfs/dbraw/zinc/01/44/32/1071014432.db2.gz NODLSNJVKSBBPH-CTHKJOMYSA-N 0 0 696.788 5.097 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409011365 1071067563 /nfs/dbraw/zinc/06/75/63/1071067563.db2.gz HJSRYSKNHZKIFJ-NNLQFVHNSA-N 0 0 614.268 5.687 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1C ZINC000408926967 1071070209 /nfs/dbraw/zinc/07/02/09/1071070209.db2.gz WVXSBBKMSJWRTK-TURZUDJPSA-N 0 0 527.602 6.192 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408924847 1071081367 /nfs/dbraw/zinc/08/13/67/1071081367.db2.gz RLGGEIGEUWYOHA-ZJTZAHLKSA-N 0 0 603.722 5.694 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408921181 1071097228 /nfs/dbraw/zinc/09/72/28/1071097228.db2.gz MERRMOPXUXPNDJ-ZSJKCPIUSA-N 0 0 593.658 5.216 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000408920076 1071108074 /nfs/dbraw/zinc/10/80/74/1071108074.db2.gz GWIJSAOJWONLBW-MFCBUNOESA-N 0 0 605.694 5.086 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408920113 1071108876 /nfs/dbraw/zinc/10/88/76/1071108876.db2.gz HGXHJTKDUYVAAV-QARYAGPDSA-N 0 0 610.113 5.730 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408920140 1071109682 /nfs/dbraw/zinc/10/96/82/1071109682.db2.gz HQHMUVLRBOMISK-NPRXSWCKSA-N 0 0 667.791 6.909 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408918798 1071128648 /nfs/dbraw/zinc/12/86/48/1071128648.db2.gz PEEWLCDVGBLVBG-ZRDDSIGQSA-N 0 0 554.194 5.261 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917962 1071141766 /nfs/dbraw/zinc/14/17/66/1071141766.db2.gz DELZLAOSQSNHAW-ZRDDSIGQSA-N 0 0 509.743 5.151 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408918007 1071142352 /nfs/dbraw/zinc/14/23/52/1071142352.db2.gz DZCBVMDPKQVANU-WYMPLXKRSA-N 0 0 587.423 6.711 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408917793 1071143191 /nfs/dbraw/zinc/14/31/91/1071143191.db2.gz BEASAMSZIFIARU-UTAOYMJKSA-N 0 0 554.671 6.258 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408917447 1071146502 /nfs/dbraw/zinc/14/65/02/1071146502.db2.gz UQELHPSUCILVDX-JVWAILMASA-N 0 0 666.493 7.567 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408928761 1071179548 /nfs/dbraw/zinc/17/95/48/1071179548.db2.gz HUUPPBFZJGEZPC-AFUMVMLFSA-N 0 0 596.061 6.518 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408928581 1071181762 /nfs/dbraw/zinc/18/17/62/1071181762.db2.gz CKQQMTHFMOQDBW-WSDLNYQXSA-N 0 0 586.826 6.081 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408934036 1071199083 /nfs/dbraw/zinc/19/90/83/1071199083.db2.gz KVYWYTZILSFRTQ-MKTOWPBFSA-N 0 0 867.456 5.512 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408934034 1071199194 /nfs/dbraw/zinc/19/91/94/1071199194.db2.gz KVYWYTZILSFRTQ-FVMAXLJRSA-N 0 0 867.456 5.512 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936280 1071212204 /nfs/dbraw/zinc/21/22/04/1071212204.db2.gz HMDZNDHPXVKOOJ-PRLWALMFSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408935629 1071222269 /nfs/dbraw/zinc/22/22/69/1071222269.db2.gz GGAQWDWMAKCGSQ-ZMTYCLHQSA-N 0 0 722.614 5.844 40 5 KKBBRN Brc1c2ccccc2c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc32)c2ccccc12 ZINC000263617630 1071226031 /nfs/dbraw/zinc/22/60/31/1071226031.db2.gz OUMDUWOVDLPNDY-UHFFFAOYSA-N 0 0 559.506 11.549 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934832 1071229053 /nfs/dbraw/zinc/22/90/53/1071229053.db2.gz DHDAODXUVCIRJP-UBXIJNLVSA-N 0 0 717.203 7.103 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934836 1071229090 /nfs/dbraw/zinc/22/90/90/1071229090.db2.gz DICXDDGELMHKIS-SXSMZTLPSA-N 0 0 694.162 5.355 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5F)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408933512 1071239867 /nfs/dbraw/zinc/23/98/67/1071239867.db2.gz BBTBIUQOXVZPGL-UONGPDOGSA-N 0 0 712.550 5.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946936 1071264461 /nfs/dbraw/zinc/26/44/61/1071264461.db2.gz ZPNQDWZFPOOOFM-FCVOFCDTSA-N 0 0 761.478 7.142 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408945313 1071277928 /nfs/dbraw/zinc/27/79/28/1071277928.db2.gz NZLZBPMSWYANPQ-MSXCPPJZSA-N 0 0 785.613 5.306 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944392 1071286513 /nfs/dbraw/zinc/28/65/13/1071286513.db2.gz VKYKPHOTNJJZRD-VPHSIRQSSA-N 0 0 727.033 6.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408943661 1071291480 /nfs/dbraw/zinc/29/14/80/1071291480.db2.gz UIYOLPWVGDGSHR-PNZYDNNZSA-N 0 0 644.544 5.043 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408943298 1071292712 /nfs/dbraw/zinc/29/27/12/1071292712.db2.gz YTTRWPXDYOKVAF-MKTOWPBFSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941682 1071305797 /nfs/dbraw/zinc/30/57/97/1071305797.db2.gz QDSROELHWRLTFK-MRWVFDTMSA-N 0 0 692.190 6.125 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408940964 1071312306 /nfs/dbraw/zinc/31/23/06/1071312306.db2.gz OWYIQJPMZSAQGV-YVBHXKDBSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)cc1OCC ZINC000408939645 1071321365 /nfs/dbraw/zinc/32/13/65/1071321365.db2.gz TVIXYWJNQCQSKH-IUBRTPTASA-N 0 0 564.663 5.122 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408952824 1071343493 /nfs/dbraw/zinc/34/34/93/1071343493.db2.gz VYGZUFDVBOWLOA-ZSJKCPIUSA-N 0 0 638.496 5.126 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408686568 1071349948 /nfs/dbraw/zinc/34/99/48/1071349948.db2.gz RXCJBGBNKAJNLW-UHFFFAOYSA-N 0 0 581.195 6.053 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408686009 1071354554 /nfs/dbraw/zinc/35/45/54/1071354554.db2.gz QWAUCSDSQZAIPJ-UHFFFAOYSA-N 0 0 557.148 6.201 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408686280 1071351937 /nfs/dbraw/zinc/35/19/37/1071351937.db2.gz RHUBBUDPDBRKQM-FZDFQQAASA-N 0 0 608.448 5.807 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408685133 1071357409 /nfs/dbraw/zinc/35/74/09/1071357409.db2.gz OUAALFBUGMKLNB-UHFFFAOYSA-N 0 0 618.054 6.825 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n21 ZINC000408949195 1071361602 /nfs/dbraw/zinc/36/16/02/1071361602.db2.gz SDLDOLXHMRLBCF-QUNTYYFUSA-N 0 0 678.561 5.445 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n21 ZINC000408949198 1071361634 /nfs/dbraw/zinc/36/16/34/1071361634.db2.gz SDLDOLXHMRLBCF-SZYVSPPHSA-N 0 0 678.561 5.445 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683549 1071364325 /nfs/dbraw/zinc/36/43/25/1071364325.db2.gz LNWOZGJTOHTOMX-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000408682650 1071369238 /nfs/dbraw/zinc/36/92/38/1071369238.db2.gz LAONSGYIYWVGNB-UDPYREPESA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682129 1071371160 /nfs/dbraw/zinc/37/11/60/1071371160.db2.gz IXTCFASPLVJSCX-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000408956312 1071378839 /nfs/dbraw/zinc/37/88/39/1071378839.db2.gz RDKYVWOJGMQWCA-SJXDCSIJSA-N 0 0 627.560 6.264 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408956139 1071379445 /nfs/dbraw/zinc/37/94/45/1071379445.db2.gz YUGXJGOLJDDKEE-DKOMQPSQSA-N 0 0 644.887 5.001 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4cccc5ccccc54)n3-c3ccccc3)cc2s1 ZINC000408986868 1071486570 /nfs/dbraw/zinc/48/65/70/1071486570.db2.gz PSGHCPVPMHJPJM-UHFFFAOYSA-N 0 0 704.859 8.561 40 5 KKBBRN O=c1[nH]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCCCC3 ZINC000408985275 1071502571 /nfs/dbraw/zinc/50/25/71/1071502571.db2.gz ANHSGNBBIQZICG-UHFFFAOYSA-N 0 0 511.603 7.363 40 5 KKBBRN O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000408710441 1071508436 /nfs/dbraw/zinc/50/84/36/1071508436.db2.gz BWOQTUINPFRWCU-UHFFFAOYSA-N 0 0 554.371 6.671 40 5 KKBBRN CCCCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCCCC)c3cc21 ZINC000408720036 1071510249 /nfs/dbraw/zinc/51/02/49/1071510249.db2.gz JECWACYPCWGGKX-UHFFFAOYSA-N 0 0 586.780 8.737 40 5 KKBBRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408710499 1071509138 /nfs/dbraw/zinc/50/91/38/1071509138.db2.gz WRGFCULAOWQRHJ-KNTRCKAVSA-N 0 0 591.605 6.237 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccc(C)c(C)c5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000408983476 1071517053 /nfs/dbraw/zinc/51/70/53/1071517053.db2.gz KOTXCSVWLBUZMC-UHFFFAOYSA-N 0 0 741.877 7.451 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408722882 1071531040 /nfs/dbraw/zinc/53/10/40/1071531040.db2.gz HKDRDMCOYZVNMP-RWTNITNYSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408982383 1071528031 /nfs/dbraw/zinc/52/80/31/1071528031.db2.gz DKZDWRCCSYWOPW-CTHKJOMYSA-N 0 0 822.475 6.790 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408720235 1071545149 /nfs/dbraw/zinc/54/51/49/1071545149.db2.gz JSALIIMZTHFSPB-QYRZKEDASA-N 0 0 541.003 6.354 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c(OC)c1 ZINC000408979227 1071545912 /nfs/dbraw/zinc/54/59/12/1071545912.db2.gz QFYVYFDBEGDZEK-UHAPOFRNSA-N 0 0 662.724 5.378 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408719520 1071547096 /nfs/dbraw/zinc/54/70/96/1071547096.db2.gz FMRLWFBDFREYPB-TVNKHIRZSA-N 0 0 536.584 5.709 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3cc21 ZINC000408719299 1071547702 /nfs/dbraw/zinc/54/77/02/1071547702.db2.gz BWBZCUNXDBXONP-UHFFFAOYSA-N 0 0 660.646 8.438 40 5 KKBBRN CCCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCCC)c3cc21 ZINC000408720720 1071542903 /nfs/dbraw/zinc/54/29/03/1071542903.db2.gz XPRVYBXJVRLYGU-UHFFFAOYSA-N 0 0 560.694 8.811 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000408979353 1071544139 /nfs/dbraw/zinc/54/41/39/1071544139.db2.gz BWQJPSLYRVJJEX-UHFFFAOYSA-N 0 0 667.798 6.973 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728677 1071548651 /nfs/dbraw/zinc/54/86/51/1071548651.db2.gz REDVZBFTXOSVCM-JUJAOGAQSA-N 0 0 584.220 5.013 40 5 KKBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408736840 1071553911 /nfs/dbraw/zinc/55/39/11/1071553911.db2.gz JALCJLRSGLBYSP-HHHXNRCGSA-N 0 0 547.658 5.583 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000408736735 1071554505 /nfs/dbraw/zinc/55/45/05/1071554505.db2.gz GPNSKACXRSUXLF-MUUNZHRXSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736168 1071557224 /nfs/dbraw/zinc/55/72/24/1071557224.db2.gz JGORRHJVGQJHTB-SJXDCSIJSA-N 0 0 676.589 6.171 40 5 KKBBRN O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408994652 1071557975 /nfs/dbraw/zinc/55/79/75/1071557975.db2.gz GZVHYFZMXKYCAW-UHFFFAOYSA-N 0 0 578.068 8.413 40 5 KKBBRN COc1cc([C@H]2N=C(SCc3ccc([N+](=O)[O-])cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408993598 1071564709 /nfs/dbraw/zinc/56/47/09/1071564709.db2.gz WRGHCWIFVFAKPQ-RUZDIDTESA-N 0 0 502.596 5.758 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735256 1071561228 /nfs/dbraw/zinc/56/12/28/1071561228.db2.gz OZVFOTCVYRGQTJ-FZEVDNDPSA-N 0 0 783.610 5.976 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735027 1071563092 /nfs/dbraw/zinc/56/30/92/1071563092.db2.gz MJPMZPWYXCAMSI-OKMHPQNISA-N 0 0 704.714 5.213 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734369 1071565418 /nfs/dbraw/zinc/56/54/18/1071565418.db2.gz XMWNNLVACBOAAO-YRSDHNRQSA-N 0 0 684.941 7.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734400 1071565932 /nfs/dbraw/zinc/56/59/32/1071565932.db2.gz XSSQSOUSWQFXTI-OCDQFKQQSA-N 0 0 765.038 6.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734222 1071566552 /nfs/dbraw/zinc/56/65/52/1071566552.db2.gz VCUKAQBPBQYYAD-DQARITGZSA-N 0 0 695.493 6.442 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733954 1071568900 /nfs/dbraw/zinc/56/89/00/1071568900.db2.gz SZPHCOSUDVJLEL-KFOJKGMOSA-N 0 0 635.698 5.854 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733941 1071569030 /nfs/dbraw/zinc/56/90/30/1071569030.db2.gz SLBGOBITAJLMSO-VVNKCDPRSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733040 1071573889 /nfs/dbraw/zinc/57/38/89/1071573889.db2.gz DNULZHHDKLORSF-IYVASWNSSA-N 0 0 592.073 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732879 1071577233 /nfs/dbraw/zinc/57/72/33/1071577233.db2.gz AEROXMUAAIMSKH-IZBTWGKQSA-N 0 0 628.888 5.382 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccc2c(c1)OCO2 ZINC000408732689 1071577797 /nfs/dbraw/zinc/57/77/97/1071577797.db2.gz UBCUYZHOOIDPLD-URENDEMCSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408991865 1071578147 /nfs/dbraw/zinc/57/81/47/1071578147.db2.gz ZCFXZWGJCBARSS-FPWMYLJGSA-N 0 0 929.527 6.649 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732540 1071578233 /nfs/dbraw/zinc/57/82/33/1071578233.db2.gz WMXOQYGSHZJNGA-JYGBCZLESA-N 0 0 749.842 6.771 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731443 1071581794 /nfs/dbraw/zinc/58/17/94/1071581794.db2.gz MPMMKEBNCPCDDV-AREMUKBSSA-N 0 0 517.538 5.290 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408991105 1071584086 /nfs/dbraw/zinc/58/40/86/1071584086.db2.gz MTESFOHYVZCFFN-VCLSCOGJSA-N 0 0 817.556 8.071 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408730435 1071586995 /nfs/dbraw/zinc/58/69/95/1071586995.db2.gz GFJRNTKYEOJQSL-ZYXYEMSLSA-N 0 0 590.544 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730915 1071584686 /nfs/dbraw/zinc/58/46/86/1071584686.db2.gz VTXNYMXYBUWSFL-MFCBUNOESA-N 0 0 557.628 5.090 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408990902 1071585049 /nfs/dbraw/zinc/58/50/49/1071585049.db2.gz WZBYFUCDDMYDOL-XQAWFANUSA-N 0 0 688.940 5.400 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 ZINC000408730801 1071585502 /nfs/dbraw/zinc/58/55/02/1071585502.db2.gz HVWKTSBXFLPKIR-SUAIOLNFSA-N 0 0 576.561 5.287 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408990390 1071590620 /nfs/dbraw/zinc/59/06/20/1071590620.db2.gz VHQCDEODYKRREQ-FUAQWRKOSA-N 0 0 707.761 5.449 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408729564 1071591264 /nfs/dbraw/zinc/59/12/64/1071591264.db2.gz CKFBTGBUBSIFIS-BPIVLGIGSA-N 0 0 735.815 6.381 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000408729658 1071591724 /nfs/dbraw/zinc/59/17/24/1071591724.db2.gz BUJYPBHBXXAXMH-UUAGDVGUSA-N 0 0 560.562 5.587 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728813 1071595193 /nfs/dbraw/zinc/59/51/93/1071595193.db2.gz UQAQSNHNHQRWFX-CSKPTYFESA-N 0 0 633.090 5.767 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408989623 1071595655 /nfs/dbraw/zinc/59/56/55/1071595655.db2.gz ULLFKRQIHCLEFC-MFCBUNOESA-N 0 0 624.071 5.027 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728164 1071597412 /nfs/dbraw/zinc/59/74/12/1071597412.db2.gz IIOWTQLSFZRMEL-TUUBTQOTSA-N 0 0 588.639 5.658 40 5 KKBBRN Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1C ZINC000408739136 1071606060 /nfs/dbraw/zinc/60/60/60/1071606060.db2.gz YDPKXYTWSKCYCM-NDEPHWFRSA-N 0 0 507.590 5.710 40 5 KKBBRN Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1C ZINC000408739135 1071606094 /nfs/dbraw/zinc/60/60/94/1071606094.db2.gz YDPKXYTWSKCYCM-MUUNZHRXSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738455 1071608735 /nfs/dbraw/zinc/60/87/35/1071608735.db2.gz KZODDEMNZFRJSA-LMSRTUJASA-N 0 0 594.045 5.019 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1 ZINC000408756967 1071635954 /nfs/dbraw/zinc/63/59/54/1071635954.db2.gz KVYNSMUOFLXABY-UHFFFAOYSA-N 0 0 501.336 6.595 40 5 KKBBRN COc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O ZINC000408756767 1071636560 /nfs/dbraw/zinc/63/65/60/1071636560.db2.gz JIOALYZOVNWTAF-UHFFFAOYSA-N 0 0 517.335 6.295 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(C35CC6CC(CC(C6)C3)C5)cc2)C4=O)ccc1Br ZINC000409003138 1071637667 /nfs/dbraw/zinc/63/76/67/1071637667.db2.gz YFTKDSFTXWBRGF-UHFFFAOYSA-N 0 0 650.573 9.139 40 5 KKBBRN Cc1sc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)nc1-c1ccccc1 ZINC000408755238 1071645625 /nfs/dbraw/zinc/64/56/25/1071645625.db2.gz ZSGZJMVOVYYVFG-HSZRJFAPSA-N 0 0 516.579 5.503 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408755839 1071641027 /nfs/dbraw/zinc/64/10/27/1071641027.db2.gz POPUADYJMHPVER-LHOSBTIMSA-N 0 0 707.761 5.449 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409002191 1071641844 /nfs/dbraw/zinc/64/18/44/1071641844.db2.gz YVLQVHIJEMKSOP-WJTYMRCSSA-N 0 0 689.790 6.555 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001659 1071644916 /nfs/dbraw/zinc/64/49/16/1071644916.db2.gz QBFGNGPEQYGYCL-XFPFAXQNSA-N 0 0 720.760 6.676 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755031 1071648340 /nfs/dbraw/zinc/64/83/40/1071648340.db2.gz BDDHQKFOGKNVJW-LAUBZIAYSA-N 0 0 531.593 5.487 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999677 1071653705 /nfs/dbraw/zinc/65/37/05/1071653705.db2.gz RXRRRLNPXCCSBK-DTDQMKFYSA-N 0 0 694.747 6.266 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999485 1071654186 /nfs/dbraw/zinc/65/41/86/1071654186.db2.gz LJDMILBGLXUBBB-JOHYPREOSA-N 0 0 727.842 5.642 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408753763 1071655212 /nfs/dbraw/zinc/65/52/12/1071655212.db2.gz CKHWLCAOZBCTCO-ISZRBDKASA-N 0 0 727.580 6.419 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408997570 1071664477 /nfs/dbraw/zinc/66/44/77/1071664477.db2.gz RVOXCVLNICRBBI-MDINZUHSSA-N 0 0 815.686 7.159 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409016417 1071667157 /nfs/dbraw/zinc/66/71/57/1071667157.db2.gz SMJQICJRDIOWKW-NNLQFVHNSA-N 0 0 510.446 5.394 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 ZINC000408750599 1071674842 /nfs/dbraw/zinc/67/48/42/1071674842.db2.gz PESZUIQSAQSYNX-UHFFFAOYSA-N 0 0 516.387 6.604 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000408750464 1071675574 /nfs/dbraw/zinc/67/55/74/1071675574.db2.gz NJQOLYKZEUTRIH-UHFFFAOYSA-N 0 0 526.393 6.060 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409009378 1071696179 /nfs/dbraw/zinc/69/61/79/1071696179.db2.gz DZBAWNPYOYELTD-OVVQPSECSA-N 0 0 728.565 5.562 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409009273 1071696212 /nfs/dbraw/zinc/69/62/12/1071696212.db2.gz CSGHBEWRKMBEEL-YZSQISJMSA-N 0 0 667.538 5.330 40 5 KKBBRN CCc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O ZINC000408757997 1071707226 /nfs/dbraw/zinc/70/72/26/1071707226.db2.gz UDKROLJXXFKORL-UHFFFAOYSA-N 0 0 515.363 6.849 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757995 1071707352 /nfs/dbraw/zinc/70/73/52/1071707352.db2.gz TZTCOPMJOXYUPX-SJXDCSIJSA-N 0 0 624.516 6.558 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758114 1071708306 /nfs/dbraw/zinc/70/83/06/1071708306.db2.gz VMZWRMDXDFFBTM-HZHHUVPKSA-N 0 0 650.554 6.568 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758082 1071708346 /nfs/dbraw/zinc/70/83/46/1071708346.db2.gz VBEJMKAGVCARCR-YCMYYBHNSA-N 0 0 787.632 6.436 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408757874 1071708897 /nfs/dbraw/zinc/70/88/97/1071708897.db2.gz RCDKTMVZJMGALK-UTAOYMJKSA-N 0 0 651.722 5.003 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757647 1071711016 /nfs/dbraw/zinc/71/10/16/1071711016.db2.gz OIBKQOMNIXBNOP-OIUASMPBSA-N 0 0 902.346 7.778 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408757690 1071711712 /nfs/dbraw/zinc/71/17/12/1071711712.db2.gz OVBBGARAEFBVDW-RIFKOAFWSA-N 0 0 711.550 6.699 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409019193 1071730444 /nfs/dbraw/zinc/73/04/44/1071730444.db2.gz IKOXAMFJLDATPD-UDWIEESQSA-N 0 0 524.327 5.042 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)sc2=N1 ZINC000409037228 1071736999 /nfs/dbraw/zinc/73/69/99/1071736999.db2.gz SSGXMMLDFUDJHY-RISWYLRJSA-N 0 0 624.502 5.592 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409036886 1071739028 /nfs/dbraw/zinc/73/90/28/1071739028.db2.gz RVCYKZLERLPYNW-ITNPZBTBSA-N 0 0 692.588 5.837 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)sc2=N1 ZINC000409036729 1071739884 /nfs/dbraw/zinc/73/98/84/1071739884.db2.gz LVKAXUZEZHDRFW-UQDCTOEPSA-N 0 0 666.550 5.826 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409036758 1071739953 /nfs/dbraw/zinc/73/99/53/1071739953.db2.gz BGBZAMMOVOHMET-UQDCTOEPSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408767331 1071741167 /nfs/dbraw/zinc/74/11/67/1071741167.db2.gz FSOFZHMLVKCIGJ-HWMKKPCCSA-N 0 0 850.482 5.678 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409036423 1071742400 /nfs/dbraw/zinc/74/24/00/1071742400.db2.gz LEOUKVCOWYVPDD-FQKMCRJQSA-N 0 0 608.072 5.407 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770520 1071742527 /nfs/dbraw/zinc/74/25/27/1071742527.db2.gz YLFXSXMYGCGFFF-CJCCVFIKSA-N 0 0 899.352 6.432 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770458 1071743799 /nfs/dbraw/zinc/74/37/99/1071743799.db2.gz XSDIICUSGKPEIH-TZUCAZQYSA-N 0 0 643.559 5.884 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408776947 1071747559 /nfs/dbraw/zinc/74/75/59/1071747559.db2.gz SKHNXGQAJBFIDJ-AOLPSBPOSA-N 0 0 574.884 6.752 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770088 1071744217 /nfs/dbraw/zinc/74/42/17/1071744217.db2.gz SOMISEKMNYEMFN-MQIAMDAWSA-N 0 0 688.940 5.400 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409036007 1071745687 /nfs/dbraw/zinc/74/56/87/1071745687.db2.gz KWCCOOPPROATKY-UCQKPKSFSA-N 0 0 648.329 7.123 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 ZINC000408776438 1071749507 /nfs/dbraw/zinc/74/95/07/1071749507.db2.gz ODOCRLMGICWFSJ-LWRBDHNKSA-N 0 0 648.435 6.071 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034691 1071757531 /nfs/dbraw/zinc/75/75/31/1071757531.db2.gz QTAWZBFUUKELFG-NBQDTTAVSA-N 0 0 673.744 5.090 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(C)C2=S)cc1 ZINC000409034387 1071759328 /nfs/dbraw/zinc/75/93/28/1071759328.db2.gz QMJYJXANLKXSMD-UCQKPKSFSA-N 0 0 647.345 6.702 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034068 1071765041 /nfs/dbraw/zinc/76/50/41/1071765041.db2.gz GMFMWIVGZBTBQN-RBYDNKHHSA-N 0 0 844.637 6.206 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033752 1071767467 /nfs/dbraw/zinc/76/74/67/1071767467.db2.gz LNFXOTGWZNGNBU-XSTKMXAKSA-N 0 0 767.611 5.752 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)S2)cc1 ZINC000408773314 1071769551 /nfs/dbraw/zinc/76/95/51/1071769551.db2.gz HZPYTWFBXPQBLT-ZFWDJNJRSA-N 0 0 570.465 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409033326 1071771604 /nfs/dbraw/zinc/77/16/04/1071771604.db2.gz DZYUJLNKBQYMOR-AOPCMUPUSA-N 0 0 807.284 6.716 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771653 1071779437 /nfs/dbraw/zinc/77/94/37/1071779437.db2.gz IMQCYYOITYLLRR-KEPJHFNWSA-N 0 0 600.483 6.794 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032427 1071780606 /nfs/dbraw/zinc/78/06/06/1071780606.db2.gz IYGRNUOGHJLXLU-FJNIOPPGSA-N 0 0 674.688 5.203 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032451 1071780763 /nfs/dbraw/zinc/78/07/63/1071780763.db2.gz JAIUAGSCMGYBLS-BRYUKDSCSA-N 0 0 754.865 7.627 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408770816 1071784931 /nfs/dbraw/zinc/78/49/31/1071784931.db2.gz ACRRUFQCDLXGKQ-QARYAGPDSA-N 0 0 825.394 5.634 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031352 1071788637 /nfs/dbraw/zinc/78/86/37/1071788637.db2.gz ASLPTHRXSXYKHD-ZJTZAHLKSA-N 0 0 638.098 5.416 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408769885 1071789256 /nfs/dbraw/zinc/78/92/56/1071789256.db2.gz QGVZOACACDNVRN-HZHHUVPKSA-N 0 0 711.594 6.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030692 1071796367 /nfs/dbraw/zinc/79/63/67/1071796367.db2.gz FGGAZFGUXWHZQY-DDIUQFJASA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769060 1071796601 /nfs/dbraw/zinc/79/66/01/1071796601.db2.gz LKJSCQASEHPNPN-BHFPBWTASA-N 0 0 773.456 5.828 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768394 1071800143 /nfs/dbraw/zinc/80/01/43/1071800143.db2.gz IMTFCOPUQHGUNM-BHFPBWTASA-N 0 0 759.031 5.727 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1 ZINC000408768131 1071803434 /nfs/dbraw/zinc/80/34/34/1071803434.db2.gz CEPRNWRVPYILOI-UDHMSBBDSA-N 0 0 601.684 5.815 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408782272 1071812079 /nfs/dbraw/zinc/81/20/79/1071812079.db2.gz GOOGZWMXBNDQJK-VCLSCOGJSA-N 0 0 864.556 7.913 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)N(C)C2=S)cc1 ZINC000409038291 1071816234 /nfs/dbraw/zinc/81/62/34/1071816234.db2.gz OZUCIAFJGOPZLY-UCQKPKSFSA-N 0 0 741.345 6.386 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408781431 1071817473 /nfs/dbraw/zinc/81/74/73/1071817473.db2.gz AHAWFYXVDYXDHH-PEPUGYCWSA-N 0 0 868.569 7.512 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038116 1071817525 /nfs/dbraw/zinc/81/75/25/1071817525.db2.gz UTSQRHWEHRDVQN-KVOZJBOISA-N 0 0 791.504 7.151 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409037607 1071820448 /nfs/dbraw/zinc/82/04/48/1071820448.db2.gz XYTNLIVZPASOHD-FHMSYZJOSA-N 0 0 504.611 5.105 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1cccs1 ZINC000408780174 1071826228 /nfs/dbraw/zinc/82/62/28/1071826228.db2.gz UPVHNUVLOVCPDU-ASZNLBCTSA-N 0 0 625.684 5.140 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046927 1071829619 /nfs/dbraw/zinc/82/96/19/1071829619.db2.gz LMDXCULDJRDHFQ-KAEGSSFASA-N 0 0 631.707 5.379 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000409046519 1071830892 /nfs/dbraw/zinc/83/08/92/1071830892.db2.gz KLAJDWREJLUVCS-CRCYZHLCSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409045971 1071836615 /nfs/dbraw/zinc/83/66/15/1071836615.db2.gz QLGRSCILISRZIM-PBKKUYBVSA-N 0 0 642.517 6.061 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408778466 1071836614 /nfs/dbraw/zinc/83/66/14/1071836614.db2.gz UXHNMGVJGFOQPW-DKOMQPSQSA-N 0 0 719.433 5.872 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045886 1071838908 /nfs/dbraw/zinc/83/89/08/1071838908.db2.gz JKGLIUQDMUOMNX-LCQSEVKBSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408786910 1071846039 /nfs/dbraw/zinc/84/60/39/1071846039.db2.gz XHIAJAWKAXQOFC-PEPUGYCWSA-N 0 0 696.669 5.692 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043364 1071860480 /nfs/dbraw/zinc/86/04/80/1071860480.db2.gz MBUAWBWWLBNWRL-QXMHJZDTSA-N 0 0 816.683 6.152 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000408784584 1071862535 /nfs/dbraw/zinc/86/25/35/1071862535.db2.gz VIWKFMABJAGBJV-QPJBPQEWSA-N 0 0 537.622 5.548 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409042830 1071866672 /nfs/dbraw/zinc/86/66/72/1071866672.db2.gz CYLYCICIIHFSNI-CRCYZHLCSA-N 0 0 642.517 6.062 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408783975 1071867445 /nfs/dbraw/zinc/86/74/45/1071867445.db2.gz PTSVWDGNRGBIBO-CTHKJOMYSA-N 0 0 666.643 5.683 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409042168 1071872897 /nfs/dbraw/zinc/87/28/97/1071872897.db2.gz BSDPZPJTIMRNHV-FQKMCRJQSA-N 0 0 608.072 5.407 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409041268 1071881139 /nfs/dbraw/zinc/88/11/39/1071881139.db2.gz UKAIWPVNHDAOHV-IVQFASICSA-N 0 0 722.614 5.845 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409041271 1071881148 /nfs/dbraw/zinc/88/11/48/1071881148.db2.gz UKHAIVLSUXYDIM-JLHDDXNDSA-N 0 0 613.692 5.073 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040927 1071886824 /nfs/dbraw/zinc/88/68/24/1071886824.db2.gz VETDZJYBRZNMHX-GEYGMGCISA-N 0 0 666.756 5.505 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408791522 1071889850 /nfs/dbraw/zinc/88/98/50/1071889850.db2.gz ZPAPXYOUEHFMTR-ZPMAPHDVSA-N 0 0 601.684 5.815 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039655 1071895702 /nfs/dbraw/zinc/89/57/02/1071895702.db2.gz RRZDPFKUSGZMIL-JBDHCHCMSA-N 0 0 682.549 5.525 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)sc2=N1 ZINC000409039723 1071897055 /nfs/dbraw/zinc/89/70/55/1071897055.db2.gz RXWQQPVRVKPXMK-ZYDFGXJWSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039441 1071899662 /nfs/dbraw/zinc/89/96/62/1071899662.db2.gz WPFMHBYCQVRDSE-IVRZUQNJSA-N 0 0 801.068 5.652 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409039213 1071900218 /nfs/dbraw/zinc/90/02/18/1071900218.db2.gz WQCHLXLEDAVFIQ-QTTRZTASSA-N 0 0 652.523 5.518 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)N(C)C2=S)cc1 ZINC000409039244 1071900324 /nfs/dbraw/zinc/90/03/24/1071900324.db2.gz QZGHTFPKRWSSFE-QQXSKIMKSA-N 0 0 512.591 5.601 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038528 1071907375 /nfs/dbraw/zinc/90/73/75/1071907375.db2.gz VXVJXFBWAWOQAU-UPWSPCOFSA-N 0 0 638.098 5.416 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409049501 1071913516 /nfs/dbraw/zinc/91/35/16/1071913516.db2.gz RCQZIUARDXTZIN-PYCBVSLESA-N 0 0 613.692 5.073 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050651 1071911773 /nfs/dbraw/zinc/91/17/73/1071911773.db2.gz YDGGKFVRQBQTRU-IVRZUQNJSA-N 0 0 845.519 5.761 40 5 KKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1Br ZINC000409055277 1071927855 /nfs/dbraw/zinc/92/78/55/1071927855.db2.gz YHAVDDODMPKSPZ-UHFFFAOYSA-N 0 0 528.359 6.548 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409054714 1071932164 /nfs/dbraw/zinc/93/21/64/1071932164.db2.gz WAGKRAYLOBQGLJ-UCQKPKSFSA-N 0 0 573.396 6.191 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053250 1071940957 /nfs/dbraw/zinc/94/09/57/1071940957.db2.gz NPCPVCXLTMKHFI-XKZIYDEJSA-N 0 0 652.292 6.953 40 5 KKBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409053851 1071937165 /nfs/dbraw/zinc/93/71/65/1071937165.db2.gz DBLCVGHQVILNQM-UHFFFAOYSA-N 0 0 687.232 5.037 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409058482 1071986695 /nfs/dbraw/zinc/98/66/95/1071986695.db2.gz OYZASYOFTPZFOD-QRVIBDJDSA-N 0 0 785.354 5.539 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409061482 1072029444 /nfs/dbraw/zinc/02/94/44/1072029444.db2.gz XVCNKCVCJBLPFT-MTJSOVHGSA-N 0 0 620.275 6.948 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409061791 1072027482 /nfs/dbraw/zinc/02/74/82/1072027482.db2.gz ICQDEWJYQQGMIS-XKZIYDEJSA-N 0 0 571.405 6.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409076945 1072045273 /nfs/dbraw/zinc/04/52/73/1072045273.db2.gz BYKZQCYPGWZCSJ-RGFRMHDHSA-N 0 0 565.607 5.120 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076264 1072054331 /nfs/dbraw/zinc/05/43/31/1072054331.db2.gz AIEBSKWLNYUBKH-PBKKUYBVSA-N 0 0 702.967 5.790 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080899 1072119318 /nfs/dbraw/zinc/11/93/18/1072119318.db2.gz ODCGEVPWIJJTFW-KGXBHJDWSA-N 0 0 819.734 8.001 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409080095 1072125552 /nfs/dbraw/zinc/12/55/52/1072125552.db2.gz LDWOISWQLYZYBB-JBDHCHCMSA-N 0 0 794.451 6.596 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409079219 1072135932 /nfs/dbraw/zinc/13/59/32/1072135932.db2.gz KOZCULGJXIWLII-INJWXVQMSA-N 0 0 733.424 6.363 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409085729 1072175370 /nfs/dbraw/zinc/17/53/70/1072175370.db2.gz CWMSDQBPDZDUKG-LXKZMGPHSA-N 0 0 669.763 6.102 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000409085746 1072175995 /nfs/dbraw/zinc/17/59/95/1072175995.db2.gz DAMLOXUDKWJZAT-ZPMAPHDVSA-N 0 0 662.724 5.378 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409085598 1072177185 /nfs/dbraw/zinc/17/71/85/1072177185.db2.gz BXHPKROOMDXUFK-PQRKSKNISA-N 0 0 592.633 5.051 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409082932 1072206165 /nfs/dbraw/zinc/20/61/65/1072206165.db2.gz UHVHQYXQKGSRMQ-XQNWCSQWSA-N 0 0 565.607 5.120 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081614 1072221715 /nfs/dbraw/zinc/22/17/15/1072221715.db2.gz QLDUGKSHBQIQEW-JTDJOSNWSA-N 0 0 737.412 6.443 40 5 KKBBRN O=C(Nc1cccc(Br)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409081030 1072227753 /nfs/dbraw/zinc/22/77/53/1072227753.db2.gz JGAZBUMNLWUFFJ-UHFFFAOYSA-N 0 0 524.374 7.492 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409096215 1072235289 /nfs/dbraw/zinc/23/52/89/1072235289.db2.gz CVBIZZNMFAHAOD-MTJSOVHGSA-N 0 0 527.942 5.582 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096047 1072236198 /nfs/dbraw/zinc/23/61/98/1072236198.db2.gz CFYRIVCINKMXME-SSDVNMTOSA-N 0 0 570.371 5.567 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094866 1072242959 /nfs/dbraw/zinc/24/29/59/1072242959.db2.gz GCKBVEYCQAJCEI-VXLYETTFSA-N 0 0 507.362 5.391 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094096 1072247742 /nfs/dbraw/zinc/24/77/42/1072247742.db2.gz CTMYXDSMYOKWBU-HRIDGTDGSA-N 0 0 696.023 6.007 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094668 1072245850 /nfs/dbraw/zinc/24/58/50/1072245850.db2.gz FTECEZDZCLWFGO-ASUJOLEISA-N 0 0 661.180 5.643 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409094208 1072248326 /nfs/dbraw/zinc/24/83/26/1072248326.db2.gz BXYXPXYYVZSDHL-CLNXTWJPSA-N 0 0 666.785 5.115 40 5 KKBBRN O=C(Nc1ccc(Br)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409092972 1072257361 /nfs/dbraw/zinc/25/73/61/1072257361.db2.gz XFDZCJAXVBXWKS-UHFFFAOYSA-N 0 0 524.374 7.492 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409092818 1072258939 /nfs/dbraw/zinc/25/89/39/1072258939.db2.gz ZIAKAONWXSJBON-ZUXOAJPSSA-N 0 0 665.753 5.184 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409091065 1072274724 /nfs/dbraw/zinc/27/47/24/1072274724.db2.gz SSTJSGJCXHGPPQ-YDZHTSKRSA-N 0 0 602.452 6.554 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409091315 1072271340 /nfs/dbraw/zinc/27/13/40/1072271340.db2.gz SPAZBELYUOQMQK-KAEGSSFASA-N 0 0 708.587 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409091317 1072271533 /nfs/dbraw/zinc/27/15/33/1072271533.db2.gz SPAZBELYUOQMQK-PLMBTIQCSA-N 0 0 708.587 5.455 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409091426 1072272429 /nfs/dbraw/zinc/27/24/29/1072272429.db2.gz UHAIZWBMXDJOCL-SRZZPIQSSA-N 0 0 699.214 5.615 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409090697 1072279750 /nfs/dbraw/zinc/27/97/50/1072279750.db2.gz NLGCUHHVIJGUSU-PYCBVSLESA-N 0 0 606.660 5.359 40 5 KKBBRN O=C1C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC(=S)N1C1CCCCC1 ZINC000409089616 1072287997 /nfs/dbraw/zinc/28/79/97/1072287997.db2.gz JFYYMZPAGXKZIL-NDENLUEZSA-N 0 0 595.313 6.089 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409099732 1072324360 /nfs/dbraw/zinc/32/43/60/1072324360.db2.gz SJOBTDVMHWKAGC-CUJRCQHQSA-N 0 0 695.779 5.198 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409099451 1072325789 /nfs/dbraw/zinc/32/57/89/1072325789.db2.gz NOQFXMANZMUNKG-IYCJABBDSA-N 0 0 741.664 6.515 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409098890 1072329540 /nfs/dbraw/zinc/32/95/40/1072329540.db2.gz RESHEBBBJVCRGT-YDZHTSKRSA-N 0 0 587.532 6.480 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSCC(=O)NCc4cccc5ccccc54)cc3s2)c([N+](=O)[O-])c1 ZINC000409336329 1072331772 /nfs/dbraw/zinc/33/17/72/1072331772.db2.gz NPYQSBYGWKKQBO-UHFFFAOYSA-N 0 0 661.787 6.085 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409097993 1072335136 /nfs/dbraw/zinc/33/51/36/1072335136.db2.gz IBRLJLBZLIGEKO-OXDPQRGISA-N 0 0 657.148 6.087 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409097790 1072335576 /nfs/dbraw/zinc/33/55/76/1072335576.db2.gz HIVMBKOQUZGXCF-SRZZPIQSSA-N 0 0 605.214 5.931 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409107139 1072339340 /nfs/dbraw/zinc/33/93/40/1072339340.db2.gz VGDGAFCEEKNSDZ-QTTRZTASSA-N 0 0 591.089 5.234 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107212 1072339811 /nfs/dbraw/zinc/33/98/11/1072339811.db2.gz RAHIRZSJNLERPK-DWBFVIGNSA-N 0 0 685.806 6.177 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409105359 1072349717 /nfs/dbraw/zinc/34/97/17/1072349717.db2.gz MZTDMSJIJZPDSS-XTDWUIBVSA-N 0 0 723.855 7.145 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104746 1072352812 /nfs/dbraw/zinc/35/28/12/1072352812.db2.gz HVBPVPKGOYLYLT-URFJJRPFSA-N 0 0 622.703 5.434 40 5 KKBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21 ZINC000409333241 1072354295 /nfs/dbraw/zinc/35/42/95/1072354295.db2.gz IMNVOJOQFHQEQL-XUVDGOIQSA-N 0 0 514.921 5.078 40 5 KKBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 ZINC000409333231 1072356353 /nfs/dbraw/zinc/35/63/53/1072356353.db2.gz IMNVOJOQFHQEQL-DUPGQGGVSA-N 0 0 514.921 5.078 40 5 KKBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 ZINC000409333227 1072356419 /nfs/dbraw/zinc/35/64/19/1072356419.db2.gz IMNVOJOQFHQEQL-BEDYVLDCSA-N 0 0 514.921 5.078 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103714 1072360163 /nfs/dbraw/zinc/36/01/63/1072360163.db2.gz BLNGJQOZCBPCKS-DFXMODJXSA-N 0 0 636.730 5.742 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102695 1072365568 /nfs/dbraw/zinc/36/55/68/1072365568.db2.gz SZDHKPGVZHVPBD-GRPHBVMCSA-N 0 0 639.778 5.164 40 5 KKBBRN COc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409116962 1072372195 /nfs/dbraw/zinc/37/21/95/1072372195.db2.gz MTHFBSUQPRIQNK-UHFFFAOYSA-N 0 0 522.193 6.320 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000409116963 1072372231 /nfs/dbraw/zinc/37/22/31/1072372231.db2.gz VVMQXCBFEBYUNJ-DHUJRADRSA-N 0 0 585.660 7.544 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409102518 1072366646 /nfs/dbraw/zinc/36/66/46/1072366646.db2.gz AUPMUTTWJSIBQU-RBXKPUFLSA-N 0 0 671.160 5.391 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102404 1072367292 /nfs/dbraw/zinc/36/72/92/1072367292.db2.gz ZIZBPDWAQPKDBC-SVXDAGRPSA-N 0 0 622.703 5.434 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107322 1072367475 /nfs/dbraw/zinc/36/74/75/1072367475.db2.gz QWRCICHWZUGTCW-PSAPEEBNSA-N 0 0 657.148 6.087 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409331607 1072369255 /nfs/dbraw/zinc/36/92/55/1072369255.db2.gz OPCDSUMGXXFOMJ-DICXZTSXSA-N 0 0 554.628 6.396 40 5 KKBBRN Cc1ccc(Cl)cc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409114642 1072381022 /nfs/dbraw/zinc/38/10/22/1072381022.db2.gz KRDMTGHYSKRDHV-UHFFFAOYSA-N 0 0 540.639 7.273 40 5 KKBBRN COc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113572 1072384410 /nfs/dbraw/zinc/38/44/10/1072384410.db2.gz HKGRBHSXQZIIOO-UHFFFAOYSA-N 0 0 504.324 5.708 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 ZINC000409113603 1072384794 /nfs/dbraw/zinc/38/47/94/1072384794.db2.gz HTEZZPDTVZKJAJ-MHZLTWQESA-N 0 0 518.400 7.263 40 5 KKBBRN O=C(Oc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409112996 1072387050 /nfs/dbraw/zinc/38/70/50/1072387050.db2.gz HPDAVQMWDFQGCN-MGBGTMOVSA-N 0 0 569.617 7.175 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OC ZINC000409111414 1072392863 /nfs/dbraw/zinc/39/28/63/1072392863.db2.gz CMQMVVFHSJXTOL-GDLZYMKVSA-N 0 0 588.458 6.736 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1Br ZINC000409327966 1072397912 /nfs/dbraw/zinc/39/79/12/1072397912.db2.gz OKRBOTWHDKZZAN-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409108599 1072406291 /nfs/dbraw/zinc/40/62/91/1072406291.db2.gz XBDYZVRRYJOMKB-CYGYJLBOSA-N 0 0 663.781 5.908 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409346118 1072417540 /nfs/dbraw/zinc/41/75/40/1072417540.db2.gz LCHSGYIOSDVTRC-HXUWFJFHSA-N 0 0 565.483 5.761 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122789 1072419943 /nfs/dbraw/zinc/41/99/43/1072419943.db2.gz BPDBVKFQIJJBNR-KOEQRZSOSA-N 0 0 597.487 7.004 40 5 KKBBRN C[C@@H](NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409122529 1072422072 /nfs/dbraw/zinc/42/20/72/1072422072.db2.gz ZESUXNVSSHIRTC-ZTUXGFDNSA-N 0 0 626.713 7.212 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409121479 1072426042 /nfs/dbraw/zinc/42/60/42/1072426042.db2.gz XGMQRLJXFSXZMC-UHFFFAOYSA-N 0 0 523.533 6.925 40 5 KKBBRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119281 1072436595 /nfs/dbraw/zinc/43/65/95/1072436595.db2.gz SMUQYEKWOCEYDH-ZDLGFXPLSA-N 0 0 528.302 5.280 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409342957 1072445350 /nfs/dbraw/zinc/44/53/50/1072445350.db2.gz HBZQPODSHNZDJO-WQNUKSJVSA-N 0 0 760.006 5.861 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409127173 1072447654 /nfs/dbraw/zinc/44/76/54/1072447654.db2.gz CXRLDPJJGGOCAQ-LFVJCYFKSA-N 0 0 630.460 6.456 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409342677 1072448012 /nfs/dbraw/zinc/44/80/12/1072448012.db2.gz DUMNRJYFKZVWBU-MTJSOVHGSA-N 0 0 646.419 5.460 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1Br ZINC000409342267 1072451492 /nfs/dbraw/zinc/45/14/92/1072451492.db2.gz DAESMLVFCYVGEU-ODLFYWEKSA-N 0 0 555.366 5.220 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409341290 1072458632 /nfs/dbraw/zinc/45/86/32/1072458632.db2.gz AUQWYZDZCADCCY-ZMOGYAJESA-N 0 0 585.560 7.204 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c(F)cccc2Cl)N1Cc1ccccc1 ZINC000409125350 1072459601 /nfs/dbraw/zinc/45/96/01/1072459601.db2.gz CYMNASSZNVAERW-MHZLTWQESA-N 0 0 501.945 6.749 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3cccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341145 1072460397 /nfs/dbraw/zinc/46/03/97/1072460397.db2.gz CXDOZVBYUGNYSH-GSTVVXAASA-N 0 0 619.699 5.747 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409340771 1072464207 /nfs/dbraw/zinc/46/42/07/1072464207.db2.gz BDOIJQNZCWONDR-CYBMUJFWSA-N 0 0 537.429 5.043 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409339949 1072472395 /nfs/dbraw/zinc/47/23/95/1072472395.db2.gz NFTJVRQYRFLBBZ-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(I)cc1 ZINC000409339066 1072480892 /nfs/dbraw/zinc/48/08/92/1072480892.db2.gz DSFWOFLWMKEVJK-OEAKJJBVSA-N 0 0 564.404 6.273 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409134198 1072494502 /nfs/dbraw/zinc/49/45/02/1072494502.db2.gz NQWRSDVNEDPNTR-LFVJCYFKSA-N 0 0 553.434 6.605 40 5 KKBBRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409356831 1072500218 /nfs/dbraw/zinc/50/02/18/1072500218.db2.gz GUEQSBLQKMLCLG-LJQANCHMSA-N 0 0 585.901 5.932 40 5 KKBBRN COC(=O)c1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409132993 1072501576 /nfs/dbraw/zinc/50/15/76/1072501576.db2.gz YWSLIYRFPJBCHC-NDEPHWFRSA-N 0 0 507.546 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409356292 1072504434 /nfs/dbraw/zinc/50/44/34/1072504434.db2.gz FZTFDFKVVYXWSE-ZWTBYVTRSA-N 0 0 855.876 6.457 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355068 1072512011 /nfs/dbraw/zinc/51/20/11/1072512011.db2.gz BHISDNQVCFTVAB-MIUGUJGPSA-N 0 0 692.588 5.755 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409129511 1072520050 /nfs/dbraw/zinc/52/00/50/1072520050.db2.gz GSTXNYJJFXGUNJ-HSZRJFAPSA-N 0 0 524.647 5.188 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409351780 1072531389 /nfs/dbraw/zinc/53/13/89/1072531389.db2.gz AUYQVPDTNXMSPR-OAQYLSRUSA-N 0 0 545.065 5.416 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409144615 1072532781 /nfs/dbraw/zinc/53/27/81/1072532781.db2.gz LIMANNOPUOJOCF-FSEOGBMLSA-N 0 0 726.631 5.044 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409144404 1072534727 /nfs/dbraw/zinc/53/47/27/1072534727.db2.gz OSKSNQDJJJKFDY-FQEVSTJZSA-N 0 0 595.907 5.480 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409142725 1072545032 /nfs/dbraw/zinc/54/50/32/1072545032.db2.gz CYUIOJTVJFMSLU-JVWAILMASA-N 0 0 672.638 6.316 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(I)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349629 1072548019 /nfs/dbraw/zinc/54/80/19/1072548019.db2.gz UJGXIHQZGKXWTN-PLMBTIQCSA-N 0 0 718.573 5.623 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142006 1072550163 /nfs/dbraw/zinc/55/01/63/1072550163.db2.gz ADXTYMIZCMSOHT-GKTKDVHMSA-N 0 0 682.980 6.010 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409141959 1072551002 /nfs/dbraw/zinc/55/10/02/1072551002.db2.gz KIRWHPMLTXLPSU-GKKFRVOYSA-N 0 0 655.783 5.463 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br ZINC000409348946 1072553759 /nfs/dbraw/zinc/55/37/59/1072553759.db2.gz UCYNLDRFJCLWFE-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409141218 1072554961 /nfs/dbraw/zinc/55/49/61/1072554961.db2.gz JBQULYQBYSUOBN-NTNOMAAHSA-N 0 0 691.835 6.525 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409348335 1072557368 /nfs/dbraw/zinc/55/73/68/1072557368.db2.gz SEBUMRPKLRHFHG-FSJBWODESA-N 0 0 645.431 5.462 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409348382 1072557675 /nfs/dbraw/zinc/55/76/75/1072557675.db2.gz SKDOESGQIPOSKX-XKZIYDEJSA-N 0 0 631.473 6.334 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409147291 1072576599 /nfs/dbraw/zinc/57/65/99/1072576599.db2.gz YDPCLEDDTDAJRN-LCQSEVKBSA-N 0 0 645.763 5.053 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409365817 1072576670 /nfs/dbraw/zinc/57/66/70/1072576670.db2.gz YPGSSGWLVQPPOD-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409156321 1072595216 /nfs/dbraw/zinc/59/52/16/1072595216.db2.gz RYWASXWETZDBEJ-NUGSKGIGSA-N 0 0 617.514 5.818 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409155511 1072599905 /nfs/dbraw/zinc/59/99/05/1072599905.db2.gz IXQKNCWVFBAGMU-ZVHZXABRSA-N 0 0 640.512 6.627 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409155405 1072600434 /nfs/dbraw/zinc/60/04/34/1072600434.db2.gz QZYDOHABJCMKEJ-UUYOSTAYSA-N 0 0 604.276 6.935 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360106 1072608816 /nfs/dbraw/zinc/60/88/16/1072608816.db2.gz OZORDOMBFIRBHE-VNOBABJFSA-N 0 0 789.648 6.750 40 5 KKBBRN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409359374 1072612877 /nfs/dbraw/zinc/61/28/77/1072612877.db2.gz NLKBKAYGXBYYKS-UHFFFAOYSA-N 0 0 517.778 5.680 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409152298 1072619734 /nfs/dbraw/zinc/61/97/34/1072619734.db2.gz JZSCCHXBCCUVHL-DHRITJCHSA-N 0 0 678.041 7.691 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409151640 1072622441 /nfs/dbraw/zinc/62/24/41/1072622441.db2.gz CRELQWRQYLCCTH-WSDLNYQXSA-N 0 0 548.533 5.587 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409375560 1072624196 /nfs/dbraw/zinc/62/41/96/1072624196.db2.gz MNDOVAWIOUQJLK-QFEZKATASA-N 0 0 685.496 5.408 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCCCC1 ZINC000409376765 1072627194 /nfs/dbraw/zinc/62/71/94/1072627194.db2.gz AXWZGGJBNIWKRA-LSCVHKIXSA-N 0 0 510.355 5.210 40 5 KKBBRN Cc1sc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)nc1-c1ccccc1 ZINC000409150846 1072627338 /nfs/dbraw/zinc/62/73/38/1072627338.db2.gz FBXQMUSLRXSXJV-FQEVSTJZSA-N 0 0 551.654 5.003 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C ZINC000409150484 1072628915 /nfs/dbraw/zinc/62/89/15/1072628915.db2.gz CJYAOWLPPQACDY-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409149971 1072632549 /nfs/dbraw/zinc/63/25/49/1072632549.db2.gz WUTHCBGUUKPWMM-PRLWALMFSA-N 0 0 645.763 5.052 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409149970 1072632580 /nfs/dbraw/zinc/63/25/80/1072632580.db2.gz WUTHCBGUUKPWMM-FUFNRSNVSA-N 0 0 645.763 5.052 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409373373 1072643030 /nfs/dbraw/zinc/64/30/30/1072643030.db2.gz IGIMMIPEZANYCX-WSDLNYQXSA-N 0 0 521.551 5.464 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409148389 1072643910 /nfs/dbraw/zinc/64/39/10/1072643910.db2.gz YKVWLQBETNHRRK-UHFFFAOYSA-N 0 0 547.589 5.113 40 5 KKBBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409147567 1072648502 /nfs/dbraw/zinc/64/85/02/1072648502.db2.gz XJQZIRLBLQFZTL-GRXWAMFVSA-N 0 0 666.181 5.315 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409165832 1072652687 /nfs/dbraw/zinc/65/26/87/1072652687.db2.gz AMNNSUZDCJBMNO-YDZHTSKRSA-N 0 0 646.903 6.663 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409164845 1072657446 /nfs/dbraw/zinc/65/74/46/1072657446.db2.gz OOVGAICCTGADTC-CIAFOILYSA-N 0 0 555.952 5.360 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164592 1072659543 /nfs/dbraw/zinc/65/95/43/1072659543.db2.gz KRIICESNBBGQFS-SSDVNMTOSA-N 0 0 568.495 5.118 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409164278 1072661152 /nfs/dbraw/zinc/66/11/52/1072661152.db2.gz FZNODKHJDBPHOS-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409163349 1072664922 /nfs/dbraw/zinc/66/49/22/1072664922.db2.gz QFOVVGIENNCAIV-NRFANRHFSA-N 0 0 622.489 5.299 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl ZINC000409162990 1072667407 /nfs/dbraw/zinc/66/74/07/1072667407.db2.gz KIZNCXAFLIJBHJ-MBTHVWNTSA-N 0 0 647.109 6.883 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409161734 1072675245 /nfs/dbraw/zinc/67/52/45/1072675245.db2.gz ZAGNVAKBGUYJAL-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409161607 1072676231 /nfs/dbraw/zinc/67/62/31/1072676231.db2.gz NNGLLFDMVAIARK-HOGDLBODSA-N 0 0 693.763 5.131 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409160682 1072680978 /nfs/dbraw/zinc/68/09/78/1072680978.db2.gz HVVUNJXDXGLIOU-ZFWDJNJRSA-N 0 0 696.605 5.036 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000409160604 1072682332 /nfs/dbraw/zinc/68/23/32/1072682332.db2.gz UTSDFJNCVAPPDE-ADUBFANXSA-N 0 0 679.751 6.210 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl ZINC000409159983 1072685033 /nfs/dbraw/zinc/68/50/33/1072685033.db2.gz OSJPNMLAOSJZAW-SSDVNMTOSA-N 0 0 613.004 5.296 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409159931 1072686585 /nfs/dbraw/zinc/68/65/85/1072686585.db2.gz CAHMHXLLCJORHG-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409386428 1072686611 /nfs/dbraw/zinc/68/66/11/1072686611.db2.gz QARWLBQOPFZAFH-WSDLNYQXSA-N 0 0 664.430 5.793 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409159693 1072686693 /nfs/dbraw/zinc/68/66/93/1072686693.db2.gz RVVDMNYTYCJGDU-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409158259 1072695040 /nfs/dbraw/zinc/69/50/40/1072695040.db2.gz XBAFCHNOAQINGQ-DHRITJCHSA-N 0 0 592.586 5.986 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409384529 1072697939 /nfs/dbraw/zinc/69/79/39/1072697939.db2.gz DEDJJVIHWPLPFG-WSDLNYQXSA-N 0 0 664.430 5.793 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409167020 1072701034 /nfs/dbraw/zinc/70/10/34/1072701034.db2.gz GYMVDXQFFZFWQV-UUYOSTAYSA-N 0 0 647.301 6.374 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)ccc1Cl ZINC000409166761 1072702906 /nfs/dbraw/zinc/70/29/06/1072702906.db2.gz GMLQVMOSVRWNPI-ZVHZXABRSA-N 0 0 530.989 6.108 40 5 KKBBRN COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000409176814 1072706491 /nfs/dbraw/zinc/70/64/91/1072706491.db2.gz YNVOZOXBTJBOBG-UHFFFAOYSA-N 0 0 608.094 5.126 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176785 1072707205 /nfs/dbraw/zinc/70/72/05/1072707205.db2.gz XRVWBFQRDUHTAH-SANMLTNESA-N 0 0 559.512 6.343 40 5 KKBBRN Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409176368 1072707228 /nfs/dbraw/zinc/70/72/28/1072707228.db2.gz LQQSKNOVUFNDOS-UHFFFAOYSA-N 0 0 542.931 6.507 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1 ZINC000409176456 1072711202 /nfs/dbraw/zinc/71/12/02/1072711202.db2.gz NYWZNLYTSWBGNZ-LPYMAVHISA-N 0 0 534.550 5.028 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409176153 1072711623 /nfs/dbraw/zinc/71/16/23/1072711623.db2.gz IWMPBVNEHYAVLV-VULFUBBASA-N 0 0 568.438 6.882 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409176517 1072711644 /nfs/dbraw/zinc/71/16/44/1072711644.db2.gz PVCIUJPUVZIVHH-UHFFFAOYSA-N 0 0 524.573 7.294 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409176516 1072711701 /nfs/dbraw/zinc/71/17/01/1072711701.db2.gz PUXTVZLNRQBOST-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409176200 1072712153 /nfs/dbraw/zinc/71/21/53/1072712153.db2.gz YPJDLYWTLWAHAM-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409175896 1072713509 /nfs/dbraw/zinc/71/35/09/1072713509.db2.gz DHHVPAXJNDJHEX-UHFFFAOYSA-N 0 0 517.559 6.026 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175746 1072714472 /nfs/dbraw/zinc/71/44/72/1072714472.db2.gz BRMGSVYNQZYBCW-RBMXVJLZSA-N 0 0 747.451 6.672 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409175782 1072714863 /nfs/dbraw/zinc/71/48/63/1072714863.db2.gz USDRKOFCRNFWHD-YDZHTSKRSA-N 0 0 564.532 5.369 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCCC1 ZINC000409380895 1072715432 /nfs/dbraw/zinc/71/54/32/1072715432.db2.gz BRTCRIGHXQRLHK-NDENLUEZSA-N 0 0 639.322 5.748 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 ZINC000409175618 1072715690 /nfs/dbraw/zinc/71/56/90/1072715690.db2.gz SZGLWZRHDRDALI-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175203 1072718294 /nfs/dbraw/zinc/71/82/94/1072718294.db2.gz XNEIKBZOYPGYIF-JBDHCHCMSA-N 0 0 604.084 5.247 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F ZINC000409173960 1072723716 /nfs/dbraw/zinc/72/37/16/1072723716.db2.gz QGINTHNMVGRSRP-DEOSSOPVSA-N 0 0 500.429 5.500 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409173390 1072727295 /nfs/dbraw/zinc/72/72/95/1072727295.db2.gz LWLOJXWOBCNNAT-WYMPLXKRSA-N 0 0 578.559 5.596 40 5 KKBBRN Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n3c2cc1C ZINC000409391768 1072727530 /nfs/dbraw/zinc/72/75/30/1072727530.db2.gz JQUMQRBZRCRQEV-FMCGGJTJSA-N 0 0 536.407 5.323 40 5 KKBBRN CCc1cccc(CC)c1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409173328 1072728614 /nfs/dbraw/zinc/72/86/14/1072728614.db2.gz PAESDOCRYUKYJM-UHFFFAOYSA-N 0 0 546.045 5.524 40 5 KKBBRN Cc1cc2nc3s/c(=C\c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n3c2cc1C ZINC000409391183 1072728753 /nfs/dbraw/zinc/72/87/53/1072728753.db2.gz HVEZWNKEVBMWLT-DICXZTSXSA-N 0 0 507.571 5.714 40 5 KKBBRN COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)o1 ZINC000409390586 1072729620 /nfs/dbraw/zinc/72/96/20/1072729620.db2.gz FZIPVEINQQFAFF-FMCGGJTJSA-N 0 0 517.519 5.214 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172421 1072733515 /nfs/dbraw/zinc/73/35/15/1072733515.db2.gz HRRNZXDOJGLYNB-VNOBABJFSA-N 0 0 649.725 5.756 40 5 KKBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409172455 1072734048 /nfs/dbraw/zinc/73/40/48/1072734048.db2.gz IQMPXCMZRCEHHU-LGUFXXKBSA-N 0 0 513.575 5.883 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409172450 1072734066 /nfs/dbraw/zinc/73/40/66/1072734066.db2.gz IIWKIBYDAFTHHL-LSHDLFTRSA-N 0 0 591.951 7.043 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409171996 1072736734 /nfs/dbraw/zinc/73/67/34/1072736734.db2.gz AKVIQQCCJVJCIK-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409388437 1072737136 /nfs/dbraw/zinc/73/71/36/1072737136.db2.gz HTAQULZEPSITLJ-YDZHTSKRSA-N 0 0 538.534 5.189 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000409170938 1072742808 /nfs/dbraw/zinc/74/28/08/1072742808.db2.gz XGPBZVLHWQMTJH-QRVIBDJDSA-N 0 0 554.049 6.691 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409170813 1072743795 /nfs/dbraw/zinc/74/37/95/1072743795.db2.gz WNNNPQQXOKZXAR-LPYMAVHISA-N 0 0 569.979 5.750 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409170531 1072744803 /nfs/dbraw/zinc/74/48/03/1072744803.db2.gz WEPJBPHODZXVOI-WSDLNYQXSA-N 0 0 564.532 5.287 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1cccc(Cl)c1 ZINC000409170185 1072746189 /nfs/dbraw/zinc/74/61/89/1072746189.db2.gz UNCVLRQSCPRQNR-WSDLNYQXSA-N 0 0 523.954 5.502 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409169953 1072747551 /nfs/dbraw/zinc/74/75/51/1072747551.db2.gz RKRSPVHKCCJEHT-UUYOSTAYSA-N 0 0 505.552 5.763 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409399559 1072749105 /nfs/dbraw/zinc/74/91/05/1072749105.db2.gz JXVQBARYAYESCF-WSVATBPTSA-N 0 0 580.764 5.607 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409399503 1072749631 /nfs/dbraw/zinc/74/96/31/1072749631.db2.gz JIFIRYDLKOCXBI-LSCVHKIXSA-N 0 0 625.215 5.716 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 ZINC000409169143 1072750761 /nfs/dbraw/zinc/75/07/61/1072750761.db2.gz OZXFUKXHAAYSPA-MTJSOVHGSA-N 0 0 543.985 6.214 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc4ccccc43)C2=O)o1 ZINC000409403122 1072773110 /nfs/dbraw/zinc/77/31/10/1072773110.db2.gz YUGAEPBVLQTQGR-UUYOSTAYSA-N 0 0 561.934 5.453 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409184689 1072775426 /nfs/dbraw/zinc/77/54/26/1072775426.db2.gz ZQSHJKKWYKKGSA-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000409184197 1072778132 /nfs/dbraw/zinc/77/81/32/1072778132.db2.gz YDDBBLZBYHQSHW-AREMUKBSSA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000409183812 1072780796 /nfs/dbraw/zinc/78/07/96/1072780796.db2.gz SXLGPMSUGGCPSW-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 ZINC000409183498 1072783069 /nfs/dbraw/zinc/78/30/69/1072783069.db2.gz UFDOJFDHZFHIRP-UHFFFAOYSA-N 0 0 544.947 6.641 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409183159 1072784328 /nfs/dbraw/zinc/78/43/28/1072784328.db2.gz QIEIMWMRZVRXSC-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000409183044 1072786219 /nfs/dbraw/zinc/78/62/19/1072786219.db2.gz QMURSKJEPQJVKD-LJAQVGFWSA-N 0 0 598.995 6.455 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412467 1072787753 /nfs/dbraw/zinc/78/77/53/1072787753.db2.gz MYAXAUVWJRODGM-UHFFFAOYSA-N 0 0 516.366 5.586 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182851 1072788109 /nfs/dbraw/zinc/78/81/09/1072788109.db2.gz PFLPPNDFLWJBNH-FHQMNNMHSA-N 0 0 634.110 5.256 40 5 KKBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1Cl ZINC000409182831 1072788138 /nfs/dbraw/zinc/78/81/38/1072788138.db2.gz OKXRKSOFQFDBND-UHFFFAOYSA-N 0 0 547.347 6.091 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409182763 1072788965 /nfs/dbraw/zinc/78/89/65/1072788965.db2.gz NRLGFVVCBJBGIO-AREMUKBSSA-N 0 0 532.892 6.730 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409412148 1072789796 /nfs/dbraw/zinc/78/97/96/1072789796.db2.gz SCIGOLIRVYIPAO-UHFFFAOYSA-N 0 0 526.372 5.041 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000409182543 1072790070 /nfs/dbraw/zinc/79/00/70/1072790070.db2.gz MJKYGUSLYVUOBG-MHZLTWQESA-N 0 0 570.941 5.838 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182421 1072790660 /nfs/dbraw/zinc/79/06/60/1072790660.db2.gz MAPAZTPDOVQKJM-JBDHCHCMSA-N 0 0 604.084 5.247 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2C1=O ZINC000409182297 1072790892 /nfs/dbraw/zinc/79/08/92/1072790892.db2.gz KGIQBRTZDYUDOY-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000409182232 1072792462 /nfs/dbraw/zinc/79/24/62/1072792462.db2.gz JJRVFBYBROUGBD-HHHXNRCGSA-N 0 0 515.543 5.517 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181986 1072793460 /nfs/dbraw/zinc/79/34/60/1072793460.db2.gz HHLCRGWAJCPIJL-HWANIQDNSA-N 0 0 642.737 6.171 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409181914 1072794276 /nfs/dbraw/zinc/79/42/76/1072794276.db2.gz GSGDJGDAEQAKKK-MUUNZHRXSA-N 0 0 579.392 6.700 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000409181932 1072794285 /nfs/dbraw/zinc/79/42/85/1072794285.db2.gz GVESVUNDXJSWDC-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000409181723 1072795071 /nfs/dbraw/zinc/79/50/71/1072795071.db2.gz CWDXOWSPTSZHQL-UHFFFAOYSA-N 0 0 535.723 5.721 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000409181544 1072796485 /nfs/dbraw/zinc/79/64/85/1072796485.db2.gz CXKKSSVUCZTUKC-MHZLTWQESA-N 0 0 605.386 6.492 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181497 1072797863 /nfs/dbraw/zinc/79/78/63/1072797863.db2.gz BZHGTXVVSCQPDJ-UHFFFAOYSA-N 0 0 520.881 7.098 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181491 1072797907 /nfs/dbraw/zinc/79/79/07/1072797907.db2.gz BSAGKIFBUDCZNO-UHFFFAOYSA-N 0 0 747.557 6.872 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409181178 1072799786 /nfs/dbraw/zinc/79/97/86/1072799786.db2.gz YNTMIXRCUDJJEM-MHZLTWQESA-N 0 0 570.941 5.838 40 5 KKBBRN COc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409180968 1072800052 /nfs/dbraw/zinc/80/00/52/1072800052.db2.gz ZXJSDFDMOQAXPL-HHHXNRCGSA-N 0 0 510.502 5.637 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(C)c(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)cc2)cc1 ZINC000409180959 1072800087 /nfs/dbraw/zinc/80/00/87/1072800087.db2.gz ZQXKXPMGINNWOG-UHFFFAOYSA-N 0 0 578.533 5.271 40 5 KKBBRN O=C(COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181048 1072800605 /nfs/dbraw/zinc/80/06/05/1072800605.db2.gz ZNQJLRNABCQDSC-UHFFFAOYSA-N 0 0 591.359 6.534 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181092 1072800789 /nfs/dbraw/zinc/80/07/89/1072800789.db2.gz VZGRIHKFGKUIPY-XGLZOBASSA-N 0 0 727.431 6.119 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409180887 1072801104 /nfs/dbraw/zinc/80/11/04/1072801104.db2.gz UAPOCHSXQVDDBE-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180806 1072802855 /nfs/dbraw/zinc/80/28/55/1072802855.db2.gz VTHVVZAUXSTNQO-UHFFFAOYSA-N 0 0 607.516 5.071 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2Cl)cc1 ZINC000409410588 1072804005 /nfs/dbraw/zinc/80/40/05/1072804005.db2.gz YAZOPTQVHPPNIT-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN COc1ccc(C(=O)[C@H](OC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)c2ccccc2)cc1 ZINC000409180463 1072803970 /nfs/dbraw/zinc/80/39/70/1072803970.db2.gz TYDDRZAMRJFTBH-MUUNZHRXSA-N 0 0 600.967 5.847 40 5 KKBBRN CCOc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 ZINC000409180436 1072804009 /nfs/dbraw/zinc/80/40/09/1072804009.db2.gz SQNOYOGUKFLMBF-UHFFFAOYSA-N 0 0 520.541 7.358 40 5 KKBBRN O=C(COC(=O)c1cccc(I)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180511 1072804357 /nfs/dbraw/zinc/80/43/57/1072804357.db2.gz YVLYUXKOJUXCCR-UHFFFAOYSA-N 0 0 537.693 5.685 40 5 KKBBRN CCOc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409180287 1072804794 /nfs/dbraw/zinc/80/47/94/1072804794.db2.gz XUSJRFIXBKEKBV-WJOKGBTCSA-N 0 0 532.552 6.990 40 5 KKBBRN COc1cc(CNc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409179373 1072810075 /nfs/dbraw/zinc/81/00/75/1072810075.db2.gz MKSCCRNTQQPXOR-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Cl)cc3)cc2Br)cc1 ZINC000409179492 1072810411 /nfs/dbraw/zinc/81/04/11/1072810411.db2.gz PBUFXQUDDUMMNL-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179205 1072810919 /nfs/dbraw/zinc/81/09/19/1072810919.db2.gz QIQOCPSGDAUISI-HEVIKAOCSA-N 0 0 644.592 7.065 40 5 KKBBRN O=C(COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179029 1072813679 /nfs/dbraw/zinc/81/36/79/1072813679.db2.gz JKPSSFLJSZFVOB-UHFFFAOYSA-N 0 0 591.359 6.534 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409178692 1072815158 /nfs/dbraw/zinc/81/51/58/1072815158.db2.gz NWBXRUVJRUPSLP-WGOQTCKBSA-N 0 0 561.616 5.810 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C ZINC000409178373 1072816841 /nfs/dbraw/zinc/81/68/41/1072816841.db2.gz LNVUNQULAZQORJ-HKBQPEDESA-N 0 0 516.553 7.208 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178288 1072818366 /nfs/dbraw/zinc/81/83/66/1072818366.db2.gz GINLIFMBAWTFAJ-UHFFFAOYSA-N 0 0 759.636 6.149 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177806 1072820345 /nfs/dbraw/zinc/82/03/45/1072820345.db2.gz HNIKRCJMJPEZDZ-GWRYVSOYSA-N 0 0 661.567 6.325 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000409177734 1072821403 /nfs/dbraw/zinc/82/14/03/1072821403.db2.gz IFFYJXYSFWRINC-SANMLTNESA-N 0 0 506.470 5.176 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000409177375 1072823698 /nfs/dbraw/zinc/82/36/98/1072823698.db2.gz GAKPKMYJLLCGAN-UHFFFAOYSA-N 0 0 535.723 5.721 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409193243 1072824313 /nfs/dbraw/zinc/82/43/13/1072824313.db2.gz HWGGFXHLEGXKJG-VPHSIRQSSA-N 0 0 751.674 6.452 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409192358 1072825152 /nfs/dbraw/zinc/82/51/52/1072825152.db2.gz BFGHXCGJXJEWKL-OHZLDYPRSA-N 0 0 791.355 8.050 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409192460 1072825439 /nfs/dbraw/zinc/82/54/39/1072825439.db2.gz CWUPFVQGIXKOQV-SFXXWVNYSA-N 0 0 548.935 5.619 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409196484 1072831353 /nfs/dbraw/zinc/83/13/53/1072831353.db2.gz ZLJQLVPSGAATNW-LMBBUSAASA-N 0 0 757.338 7.693 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409196557 1072831672 /nfs/dbraw/zinc/83/16/72/1072831672.db2.gz WCVHJPHJLDDORO-KOEQRZSOSA-N 0 0 504.564 5.852 40 5 KKBBRN Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000409196209 1072832600 /nfs/dbraw/zinc/83/26/00/1072832600.db2.gz XPIHTJYZRKXSJB-JAIQZWGSSA-N 0 0 586.192 5.992 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409196222 1072833014 /nfs/dbraw/zinc/83/30/14/1072833014.db2.gz URAFKCGWGBKSMO-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409195979 1072834417 /nfs/dbraw/zinc/83/44/17/1072834417.db2.gz XUOHEFACSWASOM-QWQNUTRASA-N 0 0 553.354 6.264 40 5 KKBBRN COc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000409195694 1072836224 /nfs/dbraw/zinc/83/62/24/1072836224.db2.gz VKNHXJOSPGMUOJ-CWETZPOXSA-N 0 0 549.333 5.329 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409194733 1072841061 /nfs/dbraw/zinc/84/10/61/1072841061.db2.gz QMVXLCUHLGCVBB-DDIUQFJASA-N 0 0 824.179 7.341 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409194662 1072842636 /nfs/dbraw/zinc/84/26/36/1072842636.db2.gz QMQUIPZERUCXNS-LNXFQTKESA-N 0 0 711.584 6.089 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1cccc2ccccc21 ZINC000409194279 1072844150 /nfs/dbraw/zinc/84/41/50/1072844150.db2.gz JJMWMSSFVXFZIK-OCKHKDLRSA-N 0 0 502.335 5.730 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409194109 1072845169 /nfs/dbraw/zinc/84/51/69/1072845169.db2.gz MWYVVSVDJXZIHA-CIAFOILYSA-N 0 0 545.798 6.831 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409194193 1072846145 /nfs/dbraw/zinc/84/61/45/1072846145.db2.gz OHQPRGMVBAVMOT-ZUXDRYNTSA-N 0 0 549.333 5.329 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409193758 1072848818 /nfs/dbraw/zinc/84/88/18/1072848818.db2.gz MCGLUTXXPVJOFU-ZJTZAHLKSA-N 0 0 755.109 6.908 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409193553 1072849316 /nfs/dbraw/zinc/84/93/16/1072849316.db2.gz GKPXHOAYDOALOZ-XGLZOBASSA-N 0 0 723.620 5.958 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409193420 1072850186 /nfs/dbraw/zinc/85/01/86/1072850186.db2.gz KJOVVWAFFFFEON-NSFNGMEESA-N 0 0 553.752 5.974 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409193202 1072851534 /nfs/dbraw/zinc/85/15/34/1072851534.db2.gz FEUQMJCCZJABQP-FBHDLOMBSA-N 0 0 639.336 7.490 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192613 1072855631 /nfs/dbraw/zinc/85/56/31/1072855631.db2.gz CWGJPLKAWZTWMA-HZHHUVPKSA-N 0 0 775.309 6.587 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192633 1072855727 /nfs/dbraw/zinc/85/57/27/1072855727.db2.gz DAYZUWQKBQXREH-XGLKJEJJSA-N 0 0 740.292 6.927 40 5 KKBBRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409192209 1072856331 /nfs/dbraw/zinc/85/63/31/1072856331.db2.gz AABLGZTWGCHIJH-HWMKKPCCSA-N 0 0 767.673 6.355 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000409191545 1072862053 /nfs/dbraw/zinc/86/20/53/1072862053.db2.gz YTJFEMQHUXIBGN-VIBAAIGISA-N 0 0 609.385 5.346 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409191125 1072865331 /nfs/dbraw/zinc/86/53/31/1072865331.db2.gz SSVSYXXQIWKZPH-GSASKQFNSA-N 0 0 767.264 7.066 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190501 1072868856 /nfs/dbraw/zinc/86/88/56/1072868856.db2.gz YOHSUHFULUMGNP-FCVOFCDTSA-N 0 0 786.119 7.392 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188782 1072881163 /nfs/dbraw/zinc/88/11/63/1072881163.db2.gz ALJAFKURJBFQRI-CCVBWGSMSA-N 0 0 742.066 6.992 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409187937 1072885280 /nfs/dbraw/zinc/88/52/80/1072885280.db2.gz DIDKOTXXBASOJF-FATJQOLTSA-N 0 0 752.253 7.004 40 5 KKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409206894 1072889280 /nfs/dbraw/zinc/88/92/80/1072889280.db2.gz QXHTWWXPHFYRNO-FLWNBWAVSA-N 0 0 536.569 6.645 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409205176 1072900842 /nfs/dbraw/zinc/90/08/42/1072900842.db2.gz GBMBQQSIFRQECS-AUEPDCJTSA-N 0 0 700.873 7.896 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204119 1072907233 /nfs/dbraw/zinc/90/72/33/1072907233.db2.gz BKRYVLAEABDLCV-WYMPLXKRSA-N 0 0 646.903 6.663 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203421 1072909955 /nfs/dbraw/zinc/90/99/55/1072909955.db2.gz XVUQBIMURNDYGS-SRZZPIQSSA-N 0 0 575.824 6.839 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409202937 1072911520 /nfs/dbraw/zinc/91/15/20/1072911520.db2.gz VKSVKTRKBIMFEG-RGVLZGJSSA-N 0 0 542.367 5.601 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000409198766 1072928967 /nfs/dbraw/zinc/92/89/67/1072928967.db2.gz FFIDXMSTBDJGEX-BKUYFWCQSA-N 0 0 508.328 5.029 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409197496 1072935141 /nfs/dbraw/zinc/93/51/41/1072935141.db2.gz HBFNBACBVQLHKM-DJKKODMXSA-N 0 0 597.230 6.599 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409197555 1072935587 /nfs/dbraw/zinc/93/55/87/1072935587.db2.gz IPVVCISAGHXHOA-WPWMEQJKSA-N 0 0 633.639 5.079 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409207726 1072940915 /nfs/dbraw/zinc/94/09/15/1072940915.db2.gz YGHDQGQKASWTTR-LSFURLLWSA-N 0 0 686.846 7.505 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409213328 1072955800 /nfs/dbraw/zinc/95/58/00/1072955800.db2.gz UNJBXWWQZJSKHN-SRZZPIQSSA-N 0 0 531.373 6.730 40 5 KKBBRN Cc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409225667 1072977459 /nfs/dbraw/zinc/97/74/59/1072977459.db2.gz QVLGZPJJDAQBKZ-SRZZPIQSSA-N 0 0 527.352 5.845 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccccc1 ZINC000409224963 1072980684 /nfs/dbraw/zinc/98/06/84/1072980684.db2.gz OLEBLWBZGOCGMI-WSDLNYQXSA-N 0 0 528.464 6.325 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 ZINC000409224983 1072981244 /nfs/dbraw/zinc/98/12/44/1072981244.db2.gz LIOYVRLKESICTH-LSHDLFTRSA-N 0 0 686.256 7.850 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409223919 1072985384 /nfs/dbraw/zinc/98/53/84/1072985384.db2.gz HPBQGRPCQMXLBV-DJKKODMXSA-N 0 0 536.324 5.976 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409220065 1073006912 /nfs/dbraw/zinc/00/69/12/1073006912.db2.gz TZJOKVNQQUCSMA-TVPGTPATSA-N 0 0 504.710 5.369 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409219552 1073007617 /nfs/dbraw/zinc/00/76/17/1073007617.db2.gz NRJIAVVVMUSCEW-XKZIYDEJSA-N 0 0 510.980 6.319 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409218750 1073012336 /nfs/dbraw/zinc/01/23/36/1073012336.db2.gz KHVBVEKVSJZXDW-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1cccc(F)c1 ZINC000409230129 1073016796 /nfs/dbraw/zinc/01/67/96/1073016796.db2.gz BTKFOYGAEAMWLO-UFFVCSGVSA-N 0 0 576.389 6.295 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409229154 1073022065 /nfs/dbraw/zinc/02/20/65/1073022065.db2.gz KMKHAPDKSPZSLD-CIAFOILYSA-N 0 0 587.224 5.792 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409227649 1073031790 /nfs/dbraw/zinc/03/17/90/1073031790.db2.gz ZWLDCTPKAKHMOC-ODCIPOBUSA-N 0 0 674.810 7.636 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409236867 1073036367 /nfs/dbraw/zinc/03/63/67/1073036367.db2.gz GKUBQWZBHFDOCW-KEBDBYFISA-N 0 0 558.772 5.696 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409235362 1073045121 /nfs/dbraw/zinc/04/51/21/1073045121.db2.gz ZWIPSEDFEGBSFB-XDHOZWIPSA-N 0 0 521.389 5.781 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409246390 1073076632 /nfs/dbraw/zinc/07/66/32/1073076632.db2.gz HPBQICWNTVMQRY-WSDLNYQXSA-N 0 0 556.800 5.991 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409240723 1073106273 /nfs/dbraw/zinc/10/62/73/1073106273.db2.gz HPJWIZIWBMVWBG-LPYMAVHISA-N 0 0 599.381 5.270 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409239810 1073111399 /nfs/dbraw/zinc/11/13/99/1073111399.db2.gz QPSXBWGGGZUZCY-DEDYPNTBSA-N 0 0 506.964 5.299 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409239433 1073114461 /nfs/dbraw/zinc/11/44/61/1073114461.db2.gz MSKLJXPSJCUWIR-YDZHTSKRSA-N 0 0 650.878 7.067 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409238526 1073119374 /nfs/dbraw/zinc/11/93/74/1073119374.db2.gz DTOAJEWHDWXIHZ-CIAFOILYSA-N 0 0 587.224 5.792 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409250400 1073135892 /nfs/dbraw/zinc/13/58/92/1073135892.db2.gz KZGRVYMPFVTYAX-UCQKPKSFSA-N 0 0 673.441 5.492 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409249338 1073142373 /nfs/dbraw/zinc/14/23/73/1073142373.db2.gz KGFVTIAKDBFNLM-YDZHTSKRSA-N 0 0 675.457 5.471 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409255157 1073168227 /nfs/dbraw/zinc/16/82/27/1073168227.db2.gz ZIIKKOPRTZABAY-NHDPSOOVSA-N 0 0 669.375 6.686 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 ZINC000409253690 1073178532 /nfs/dbraw/zinc/17/85/32/1073178532.db2.gz GLGMMWKAWXKBKF-NHDPSOOVSA-N 0 0 646.375 5.575 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409253045 1073183938 /nfs/dbraw/zinc/18/39/38/1073183938.db2.gz YLBGSSDJLGECAR-UDWIEESQSA-N 0 0 575.746 5.529 40 5 KKBBRN CCc1nc2c(c3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)c(=O)n1Cc1ccc(Cl)cc1 ZINC000006150836 1073202270 /nfs/dbraw/zinc/20/22/70/1073202270.db2.gz VQBRQUXZVXESQB-UHFFFAOYSA-N 0 0 534.834 6.855 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409266344 1073203168 /nfs/dbraw/zinc/20/31/68/1073203168.db2.gz WBUASVAYDDGPKV-AUEPDCJTSA-N 0 0 600.512 5.647 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409263766 1073215952 /nfs/dbraw/zinc/21/59/52/1073215952.db2.gz MOOFDBOBOFNRBW-ZMOGYAJESA-N 0 0 617.558 6.488 40 5 KKBBRN Cc1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409263057 1073219706 /nfs/dbraw/zinc/21/97/06/1073219706.db2.gz GSJHBIYCZHACSF-UHFFFAOYSA-N 0 0 527.908 5.409 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409262589 1073220754 /nfs/dbraw/zinc/22/07/54/1073220754.db2.gz IZRMWFNCPJESQS-JJFYIABZSA-N 0 0 699.401 6.694 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409261291 1073227750 /nfs/dbraw/zinc/22/77/50/1073227750.db2.gz CJBYKEMACMWRTR-WYMPLXKRSA-N 0 0 662.440 6.790 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409258980 1073242237 /nfs/dbraw/zinc/24/22/37/1073242237.db2.gz YQLJEHNWEMOLCD-MSXFZWOLSA-N 0 0 565.438 7.050 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409258367 1073245926 /nfs/dbraw/zinc/24/59/26/1073245926.db2.gz SYZMNBTZDOXZSV-UUYOSTAYSA-N 0 0 618.045 5.008 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409271622 1073261219 /nfs/dbraw/zinc/26/12/19/1073261219.db2.gz KQCLXCCEKSICMG-JJFYIABZSA-N 0 0 541.969 5.809 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F ZINC000409271688 1073261504 /nfs/dbraw/zinc/26/15/04/1073261504.db2.gz LEEILUDLJCURRL-ZVBGSRNCSA-N 0 0 556.459 5.249 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc2ccccc21 ZINC000409271350 1073263872 /nfs/dbraw/zinc/26/38/72/1073263872.db2.gz BQSYSXUULPRBKR-YDZHTSKRSA-N 0 0 533.949 6.336 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000409271144 1073265779 /nfs/dbraw/zinc/26/57/79/1073265779.db2.gz JKKWBKFPTARMOP-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409270477 1073270138 /nfs/dbraw/zinc/27/01/38/1073270138.db2.gz GQRUTIDCQWHBJJ-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409270355 1073270900 /nfs/dbraw/zinc/27/09/00/1073270900.db2.gz DPNPMTGAAGNYAB-UHFFFAOYSA-N 0 0 616.479 6.845 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 ZINC000409270015 1073274117 /nfs/dbraw/zinc/27/41/17/1073274117.db2.gz NRGGDLAEMBAVPA-FMCGGJTJSA-N 0 0 587.835 6.509 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc3ccccc3c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269811 1073274137 /nfs/dbraw/zinc/27/41/37/1073274137.db2.gz FBRZKMHNISBMTK-YUMHPJSZSA-N 0 0 524.554 6.246 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409269855 1073274922 /nfs/dbraw/zinc/27/49/22/1073274922.db2.gz AFEYJKRLVDSHDU-DICXZTSXSA-N 0 0 633.660 5.508 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409269585 1073275240 /nfs/dbraw/zinc/27/52/40/1073275240.db2.gz CVZQMWINDHDSPI-LSHDLFTRSA-N 0 0 584.950 5.632 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269497 1073277114 /nfs/dbraw/zinc/27/71/14/1073277114.db2.gz CGYNBCQAGZMISI-SSDVNMTOSA-N 0 0 550.461 5.123 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409269315 1073278263 /nfs/dbraw/zinc/27/82/63/1073278263.db2.gz BCHMRQNFEMYNTE-ZMOGYAJESA-N 0 0 538.965 5.755 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1Cl ZINC000409276039 1073294151 /nfs/dbraw/zinc/29/41/51/1073294151.db2.gz XRJFSZQAUNWLSU-WYMPLXKRSA-N 0 0 584.006 5.519 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409275896 1073295736 /nfs/dbraw/zinc/29/57/36/1073295736.db2.gz MRAYOEWWKBIOSJ-OGLMXYFKSA-N 0 0 583.622 6.401 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409275438 1073298656 /nfs/dbraw/zinc/29/86/56/1073298656.db2.gz UPTVFSIBVGOVDJ-RAWKODRKSA-N 0 0 611.699 5.158 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc(Cl)cc1 ZINC000409275307 1073300567 /nfs/dbraw/zinc/30/05/67/1073300567.db2.gz UGYRUYWEAAZVJD-MXAYSNPKSA-N 0 0 531.977 6.170 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409275248 1073301400 /nfs/dbraw/zinc/30/14/00/1073301400.db2.gz ZVFOHGLNJMZGDH-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000409274520 1073309638 /nfs/dbraw/zinc/30/96/38/1073309638.db2.gz OWPMYVVHKITBLF-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409274531 1073309677 /nfs/dbraw/zinc/30/96/77/1073309677.db2.gz PDZWHSZBBBUAHO-FSJBWODESA-N 0 0 537.981 5.811 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274036 1073313944 /nfs/dbraw/zinc/31/39/44/1073313944.db2.gz UCOMKLRSXPEQPQ-ROTLSHHCSA-N 0 0 566.422 6.824 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)o1 ZINC000409274174 1073313950 /nfs/dbraw/zinc/31/39/50/1073313950.db2.gz NHCKRJMTWUYJDE-ZVHZXABRSA-N 0 0 529.530 5.692 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409273990 1073315092 /nfs/dbraw/zinc/31/50/92/1073315092.db2.gz BEROKSQTBHUGQU-YSMPRRRNSA-N 0 0 575.599 5.239 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409273052 1073320558 /nfs/dbraw/zinc/32/05/58/1073320558.db2.gz PHRVGZPEEZVYBA-SRZZPIQSSA-N 0 0 573.505 5.275 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409272992 1073321137 /nfs/dbraw/zinc/32/11/37/1073321137.db2.gz OYAFPIVEYJAXBW-FSJBWODESA-N 0 0 537.981 5.811 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409277017 1073326002 /nfs/dbraw/zinc/32/60/02/1073326002.db2.gz YUJMEQQGJBBZER-FMCGGJTJSA-N 0 0 571.380 5.995 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409276366 1073331687 /nfs/dbraw/zinc/33/16/87/1073331687.db2.gz QFKILLSGXQGEBM-YSMPRRRNSA-N 0 0 575.599 5.239 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000100367681 193903937 /nfs/dbraw/zinc/90/39/37/193903937.db2.gz QXYVTMXXGILOIP-FMCGGJTJSA-N 0 0 598.058 6.169 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368840 193904891 /nfs/dbraw/zinc/90/48/91/193904891.db2.gz GPNNFYLIBMOUMC-JJFYIABZSA-N 0 0 531.442 7.598 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368630 193904926 /nfs/dbraw/zinc/90/49/26/193904926.db2.gz CABGCFMARBVNJW-XKZIYDEJSA-N 0 0 540.022 6.383 40 5 KKBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223011285 193942539 /nfs/dbraw/zinc/94/25/39/193942539.db2.gz LLGRFJYIWOHRTH-LJQANCHMSA-N 0 0 681.993 5.076 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224524024 193961438 /nfs/dbraw/zinc/96/14/38/193961438.db2.gz DVNUIWJVTJVSGF-VWLOTQADSA-N 0 0 542.463 5.999 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000014879961 291917424 /nfs/dbraw/zinc/91/74/24/291917424.db2.gz KBPHJBAIARWVSC-NSIPBSJQSA-N 0 0 568.886 10.403 40 5 endogenous,world KKBBRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000036378818 291922820 /nfs/dbraw/zinc/92/28/20/291922820.db2.gz LSUXCWJOIAWGOU-YMVLYFQPSA-O 0 0 520.668 5.544 40 5 biogenic,in-vitro KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409382209 195514339 /nfs/dbraw/zinc/51/43/39/195514339.db2.gz ZENCORFZLCETSB-OAQYLSRUSA-N 0 0 515.975 5.604 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409382537 195515428 /nfs/dbraw/zinc/51/54/28/195515428.db2.gz SOOWTOAAQHRNGK-OAQYLSRUSA-N 0 0 530.400 5.704 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000917372 551571841 /nfs/dbraw/zinc/57/18/41/551571841.db2.gz NCEVMMOHMLASIY-UHFFFAOYSA-N 0 0 539.017 5.489 40 5 KKBBRN O=C(c1ccccc1)n1c2ccccc2c2c1[C@H](c1ccccc1[N+](=O)[O-])N(C(=O)c1ccccc1)NC2=O ZINC000001578423 551684955 /nfs/dbraw/zinc/68/49/55/551684955.db2.gz BBTBXANFHWZLBW-SANMLTNESA-N 0 0 516.513 5.128 40 5 KKBBRN Cc1cc(C)c(-c2c(C)cc(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001610615 551685881 /nfs/dbraw/zinc/68/58/81/551685881.db2.gz OQSKAGDKMTVNQI-UHFFFAOYSA-N 0 0 536.584 7.483 40 5 KKBBRN COc1cc(-c2cc(=O)c3cc4c(=O)cc(-c5cc(OC)c(OC)c(OC)c5)oc4cc3o2)cc(OC)c1OC ZINC000001646942 551687915 /nfs/dbraw/zinc/68/79/15/551687915.db2.gz VAJCUPZKJQVAFX-UHFFFAOYSA-N 0 0 546.528 5.285 40 5 KKBBRN Cc1ccc(C(=O)COC(=O)c2c3ccccc3nc(-c3ccccc3)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000002772713 552185439 /nfs/dbraw/zinc/18/54/39/552185439.db2.gz RHYFMUOTGQKMCU-UHFFFAOYSA-N 0 0 502.526 6.825 40 5 KKBBRN Cc1nc2ccc(-c3ccc4nc(C)n(-c5cccc([N+](=O)[O-])c5)c(=O)c4c3)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000003142728 552294845 /nfs/dbraw/zinc/29/48/45/552294845.db2.gz UPVVQSOYYDRABG-UHFFFAOYSA-N 0 0 560.526 5.185 40 5 KKBBRN C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3C=C ZINC000004691948 552471697 /nfs/dbraw/zinc/47/16/97/552471697.db2.gz LQBPATQBTSBIIH-UHFFFAOYSA-N 0 0 590.724 7.601 40 5 KKBBRN O=[N+]([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2S(=O)(=O)Oc2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 ZINC000004701185 552471993 /nfs/dbraw/zinc/47/19/93/552471993.db2.gz SUZRYOJAGSEDLY-QXMHVHEDSA-N 0 0 582.568 5.209 40 5 KKBBRN O=C(Nc1cccc(Cl)c1)OCC(COC(=O)Nc1cccc(Cl)c1)(COC(=O)Nc1cccc(Cl)c1)[N+](=O)[O-] ZINC000004768969 552481142 /nfs/dbraw/zinc/48/11/42/552481142.db2.gz ATDZGAVNORGSOH-UHFFFAOYSA-N 0 0 611.822 6.708 40 5 KKBBRN CC1(C)O[C@H](C(SCc2ccccc2)SCc2ccccc2)[C@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000004991060 552491410 /nfs/dbraw/zinc/49/14/10/552491410.db2.gz FHVAEXJDMFGHSI-ZNZIZOMTSA-N 0 0 569.701 5.826 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2Br)cc1/C=C\c1ccccc1Br ZINC000005080542 552493290 /nfs/dbraw/zinc/49/32/90/552493290.db2.gz XPNJDUJJRXINIT-HWAYABPNSA-N 0 0 530.172 7.369 40 5 KKBBRN Fc1cccc2c1nc1ccccc1c2SCCCCCSc1c2ccccc2nc2c(F)cccc21 ZINC000005487934 552502974 /nfs/dbraw/zinc/50/29/74/552502974.db2.gz LWTZCSPSCYGRDB-UHFFFAOYSA-N 0 0 526.677 9.422 40 5 KKBBRN COc1ccc(C/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)[N+](=O)[O-])cc1OCc1ccccc1 ZINC000005492972 552503299 /nfs/dbraw/zinc/50/32/99/552503299.db2.gz YNCSWZFQXDMJKM-WPWMEQJKSA-N 0 0 511.574 6.722 40 5 KKBBRN CCC(CC)(C(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2C)C(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2C ZINC000005615570 552505486 /nfs/dbraw/zinc/50/54/86/552505486.db2.gz FRURLMZBIMHETG-UHFFFAOYSA-N 0 0 572.665 6.080 40 5 KKBBRN COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000006157251 552553449 /nfs/dbraw/zinc/55/34/49/552553449.db2.gz YIDOGNGAOQKEIG-UHFFFAOYSA-N 0 0 580.626 5.834 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000006280817 552576688 /nfs/dbraw/zinc/57/66/88/552576688.db2.gz URSNPPSLTGRAIB-UHFFFAOYSA-N 0 0 549.439 7.988 40 5 KKBBRN O=c1n(Cc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])c(N3CCCCC3)cc2n1Cc1ccc(Cl)cc1Cl ZINC000006444507 552586924 /nfs/dbraw/zinc/58/69/24/552586924.db2.gz JNKJUDRKSXKGOJ-UHFFFAOYSA-N 0 0 580.299 7.412 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474716 552592799 /nfs/dbraw/zinc/59/27/99/552592799.db2.gz AAQZWXGVPUTELE-UHFFFAOYSA-N 0 0 510.373 5.336 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006474766 552593169 /nfs/dbraw/zinc/59/31/69/552593169.db2.gz SCGCXCDZWGKSHD-UHFFFAOYSA-N 0 0 510.373 5.336 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008833015 553159270 /nfs/dbraw/zinc/15/92/70/553159270.db2.gz BTQKQGQFASKINV-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-] ZINC000008835188 553161538 /nfs/dbraw/zinc/16/15/38/553161538.db2.gz QFPSMZXCLIMRAD-UHFFFAOYSA-N 0 0 506.540 5.251 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000008835290 553161772 /nfs/dbraw/zinc/16/17/72/553161772.db2.gz LILSDUGVQJNLKK-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN COc1c(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc2ccccc2c1Br ZINC000008898678 553180373 /nfs/dbraw/zinc/18/03/73/553180373.db2.gz WEDZMXSFBAZSGI-UHFFFAOYSA-N 0 0 504.768 5.135 40 5 KKBBRN COc1c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc2ccccc2c1Br ZINC000008898705 553180385 /nfs/dbraw/zinc/18/03/85/553180385.db2.gz MIPXJDVSWOLNOO-UHFFFAOYSA-N 0 0 504.768 5.135 40 5 KKBBRN O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000008898578 553180404 /nfs/dbraw/zinc/18/04/04/553180404.db2.gz NSGKZXNAHDXONU-UHFFFAOYSA-N 0 0 506.647 5.360 40 5 KKBBRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1[N+](=O)[O-] ZINC000008900432 553181344 /nfs/dbraw/zinc/18/13/44/553181344.db2.gz UCPNYSWDDVYBCR-UHFFFAOYSA-N 0 0 502.575 5.443 40 5 KKBBRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008900870 553181877 /nfs/dbraw/zinc/18/18/77/553181877.db2.gz SGLZLWKGFXWETI-UHFFFAOYSA-N 0 0 515.353 5.243 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000008901965 553182558 /nfs/dbraw/zinc/18/25/58/553182558.db2.gz XSLBEFKCCNJNNM-UHFFFAOYSA-N 0 0 505.383 5.178 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000008990025 553196971 /nfs/dbraw/zinc/19/69/71/553196971.db2.gz VODWODRYJCJHOA-JMIUGGIZSA-N 0 0 513.333 6.142 40 5 KKBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041713 553327008 /nfs/dbraw/zinc/32/70/08/553327008.db2.gz BKJPSGUKHLKUJN-GDLZYMKVSA-N 0 0 508.530 5.010 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010327855 553333771 /nfs/dbraw/zinc/33/37/71/553333771.db2.gz XDZXUIWHMLUDJW-UHFFFAOYSA-N 0 0 508.383 5.429 40 5 KKBBRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 ZINC000012546873 553392194 /nfs/dbraw/zinc/39/21/94/553392194.db2.gz FYYVHDDLHRDNTP-XFLNKKNVSA-N 0 0 520.557 6.181 40 5 KKBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014274723 553507607 /nfs/dbraw/zinc/50/76/07/553507607.db2.gz MKBROWXCXMXEOG-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000014274726 553507750 /nfs/dbraw/zinc/50/77/50/553507750.db2.gz MVBZJSKDHDUDRW-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014275306 553508257 /nfs/dbraw/zinc/50/82/57/553508257.db2.gz QJIJWVWXLKHJGC-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014278465 553510960 /nfs/dbraw/zinc/51/09/60/553510960.db2.gz UMASFZYIOMVPIG-UHFFFAOYSA-N 0 0 514.586 5.069 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014410962 553516047 /nfs/dbraw/zinc/51/60/47/553516047.db2.gz NPGRMRZUVRLSHJ-LHLOQNFPSA-N 0 0 505.596 5.339 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414601 553517250 /nfs/dbraw/zinc/51/72/50/553517250.db2.gz LGRXOFRXNVKQPM-UHFFFAOYSA-N 0 0 501.992 5.003 40 5 KKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000014943938 553521717 /nfs/dbraw/zinc/52/17/17/553521717.db2.gz BWFKYJSHYZRKDH-UHFFFAOYSA-N 0 0 507.851 7.929 40 5 KKBBRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)Nc1ccccc1-2 ZINC000015015451 553525748 /nfs/dbraw/zinc/52/57/48/553525748.db2.gz BIGMLHMBBXMHJB-XMMPIXPASA-N 0 0 503.584 6.882 40 5 KKBBRN CCCCOc1ccc(N2C(C)=C(C(=O)OCC)C(c3ccc([N+](=O)[O-])cc3)C(C(=O)OCC)=C2C)cc1 ZINC000016639274 553570741 /nfs/dbraw/zinc/57/07/41/553570741.db2.gz WETLBHINMUQTHR-UHFFFAOYSA-N 0 0 522.598 6.052 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000068583020 553592104 /nfs/dbraw/zinc/59/21/04/553592104.db2.gz VGJLTZJDWUGPKF-TUUBTQOTSA-N 0 0 554.194 5.005 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000070665227 553596070 /nfs/dbraw/zinc/59/60/70/553596070.db2.gz HCSFRBRVRMVEBY-UOFXQUEDSA-N 0 0 652.916 10.668 40 5 KKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000020153279 553597752 /nfs/dbraw/zinc/59/77/52/553597752.db2.gz JJZKPBUTKZAQRS-UHFFFAOYSA-N 0 0 508.600 5.019 40 5 KKBBRN COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c(OC)c1 ZINC000070708062 553632028 /nfs/dbraw/zinc/63/20/28/553632028.db2.gz DIGPJOZZTVGSGD-INIZCTEOSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCc6c[nH]c7ccccc67)ccc5n(c43)c(=O)c2c1OC ZINC000070708112 553632053 /nfs/dbraw/zinc/63/20/53/553632053.db2.gz XNSKADRNRJEWKZ-SFHVURJKSA-N 0 0 560.610 5.217 40 5 biogenic KKBBRN O=C(c1ccccc1)[C@@H](c1ccccc1)C(c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000019908300 553633079 /nfs/dbraw/zinc/63/30/79/553633079.db2.gz XTVBZGOGFNJHEY-DNLKRGSKSA-N 0 0 525.604 8.012 40 5 KKBBRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019927870 553634053 /nfs/dbraw/zinc/63/40/53/553634053.db2.gz HUJCTORWECHHRD-UHFFFAOYSA-N 0 0 503.165 5.180 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353269 553640236 /nfs/dbraw/zinc/64/02/36/553640236.db2.gz ZZTTXBMKPCJPQX-OAHLLOKOSA-N 0 0 504.568 6.052 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353270 553640273 /nfs/dbraw/zinc/64/02/73/553640273.db2.gz ZZTTXBMKPCJPQX-HNNXBMFYSA-N 0 0 504.568 6.052 40 5 KKBBRN CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc([N+](=O)[O-])cc1 ZINC000073243006 553652330 /nfs/dbraw/zinc/65/23/30/553652330.db2.gz DZZXHBJIEDKMAS-UHFFFAOYSA-N 0 0 556.619 5.904 40 5 KKBBRN CCCCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c3ccccc3c2N(c2ccc(C)cc2)c2ccc(CCCC)cc2)cc1 ZINC000078454401 553665502 /nfs/dbraw/zinc/66/55/02/553665502.db2.gz RWQUWTMOHXGTNN-UHFFFAOYSA-N 0 0 652.926 14.235 40 5 KKBBRN O=c1c2cc3c(cc2nc2cc(-c4ccccc4)c4cc(Cl)ccc4n21)nc1cc(-c2ccccc2)c2cc(Cl)ccc2n1c3=O ZINC000082178603 553674787 /nfs/dbraw/zinc/67/47/87/553674787.db2.gz PGJVXDXLEUSDDQ-UHFFFAOYSA-N 0 0 635.510 8.956 40 5 KKBBRN Nc1ccc2c(c1)nc1ccccc1c2SCC(=O)Nc1ccccc1-c1ccccc1NC(=O)CSc1c2ccccc2nc2cc(N)ccc21 ZINC000082185531 553675098 /nfs/dbraw/zinc/67/50/98/553675098.db2.gz FLFZOHFFQPTMRT-UHFFFAOYSA-N 0 0 716.892 9.382 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000095676344 553707279 /nfs/dbraw/zinc/70/72/79/553707279.db2.gz KFBNMOABEGDGLY-UHFFFAOYSA-N 0 0 618.431 6.511 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021124397 553707425 /nfs/dbraw/zinc/70/74/25/553707425.db2.gz VRUXVGOBZKNAMM-WEVVVXLNSA-N 0 0 505.402 5.248 40 5 KKBBRN Cc1ccccc1[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429831 553739910 /nfs/dbraw/zinc/73/99/10/553739910.db2.gz JQBIASMQWTWUCW-MUUNZHRXSA-N 0 0 515.591 5.004 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022822670 553751863 /nfs/dbraw/zinc/75/18/63/553751863.db2.gz WHDRHYKDHYUDLK-OEXZBZRSSA-N 0 0 500.580 6.443 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000022826679 553753074 /nfs/dbraw/zinc/75/30/74/553753074.db2.gz XVMICDIEZOUNAK-UHFFFAOYSA-N 0 0 503.338 5.691 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000022826687 553753099 /nfs/dbraw/zinc/75/30/99/553753099.db2.gz UTUMLOLKEFIKLI-UHFFFAOYSA-N 0 0 503.338 5.691 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022832091 553755501 /nfs/dbraw/zinc/75/55/01/553755501.db2.gz JHWYGXDQWZWNBS-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 ZINC000022833837 553756202 /nfs/dbraw/zinc/75/62/02/553756202.db2.gz SAGZRSHZECMJNK-UHFFFAOYSA-N 0 0 509.569 5.330 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022837374 553757407 /nfs/dbraw/zinc/75/74/07/553757407.db2.gz XHNXBYAUFFEKMC-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000022843108 553759280 /nfs/dbraw/zinc/75/92/80/553759280.db2.gz BSONBNRNTMHPDS-RUDMXATFSA-N 0 0 518.442 5.269 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000097949238 553800471 /nfs/dbraw/zinc/80/04/71/553800471.db2.gz AWTOWUGNJIDAFZ-GMAHTHKFSA-N 0 0 681.263 8.021 40 5 KKBBRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 ZINC000027515740 553826724 /nfs/dbraw/zinc/82/67/24/553826724.db2.gz FCCQDUPYGSKQQB-AREMUKBSSA-N 0 0 512.497 5.928 40 5 KKBBRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000029503413 553846647 /nfs/dbraw/zinc/84/66/47/553846647.db2.gz ADFWDYKBRHCOKS-SRZZPIQSSA-N 0 0 535.405 7.428 40 5 KKBBRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000032124603 553865619 /nfs/dbraw/zinc/86/56/19/553865619.db2.gz MODPYOVTHGNDGT-UDWIEESQSA-N 0 0 503.388 7.294 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033683966 553967764 /nfs/dbraw/zinc/96/77/64/553967764.db2.gz CWINCPKLNQBVIH-UHFFFAOYSA-N 0 0 508.317 7.531 40 5 KKBBRN CC1=C(C(=O)OCCc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCc2ccccc2)=C(C)N1 ZINC000033717045 553970147 /nfs/dbraw/zinc/97/01/47/553970147.db2.gz GMBUQMKXIMGISA-UHFFFAOYSA-N 0 0 526.589 5.401 40 5 KKBBRN CC(=O)c1sc(N2N=C3C(=Cc4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000033772266 553972905 /nfs/dbraw/zinc/97/29/05/553972905.db2.gz VQHGVWZSTQADDM-DCCCRTOHSA-N 0 0 517.567 6.272 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000097980155 553985918 /nfs/dbraw/zinc/98/59/18/553985918.db2.gz VPRGRGQLRLNGBU-BKIZBIRHSA-N 0 0 540.834 7.992 40 5 KKBBRN CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1Cc1ccc(F)cc1Cl ZINC000097982252 554000609 /nfs/dbraw/zinc/00/06/09/554000609.db2.gz XIHAIZGYKFNWST-KLFBBHJLSA-N 0 0 541.000 5.143 40 5 KKBBRN O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097984079 554013814 /nfs/dbraw/zinc/01/38/14/554013814.db2.gz NRERLGVASAWBHW-IKOWFMJUSA-N 0 0 613.699 9.095 40 5 KKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1 ZINC000035224843 554041876 /nfs/dbraw/zinc/04/18/76/554041876.db2.gz QNROSBLRTANTRA-UHFFFAOYSA-N 0 0 500.536 5.542 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1 ZINC000098000559 554051505 /nfs/dbraw/zinc/05/15/05/554051505.db2.gz GUXCUQCHZXJFAY-UHFFFAOYSA-N 0 0 644.631 8.485 40 5 KKBBRN CC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2nc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000098046255 554137307 /nfs/dbraw/zinc/13/73/07/554137307.db2.gz CYSODALSWXLEEX-UHFFFAOYSA-N 0 0 619.859 7.951 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100084946 554208442 /nfs/dbraw/zinc/20/84/42/554208442.db2.gz PGTZIHFBFRNKCS-LJQANCHMSA-N 0 0 574.099 5.935 40 5 KKBBRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C2CCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100142272 554228142 /nfs/dbraw/zinc/22/81/42/554228142.db2.gz MBFMSKWLYVJQNO-UHFFFAOYSA-N 0 0 611.539 8.455 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccccc1C ZINC000100230726 554256762 /nfs/dbraw/zinc/25/67/62/554256762.db2.gz RDKFUJSBEYHMQF-NHDPSOOVSA-N 0 0 527.360 6.532 40 5 KKBBRN O=C(COc1cc([N+](=O)[O-])ccc1Br)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100299877 554290551 /nfs/dbraw/zinc/29/05/51/554290551.db2.gz KDLURIYDXWBSEN-UHFFFAOYSA-N 0 0 552.768 6.990 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000100300303 554290806 /nfs/dbraw/zinc/29/08/06/554290806.db2.gz KQPAMVSXBLKVHY-UHFFFAOYSA-N 0 0 523.304 6.115 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100301660 554291641 /nfs/dbraw/zinc/29/16/41/554291641.db2.gz MMNATOCFPYZZME-YRNVUSSQSA-N 0 0 534.981 6.082 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100301691 554291672 /nfs/dbraw/zinc/29/16/72/554291672.db2.gz KNWXKDXXMFVWOF-UHFFFAOYSA-N 0 0 533.856 5.370 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100307605 554296095 /nfs/dbraw/zinc/29/60/95/554296095.db2.gz CQJBEMHCSTXRKS-QARYAGPDSA-N 0 0 578.046 5.353 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802988 554303527 /nfs/dbraw/zinc/30/35/27/554303527.db2.gz SUJDYFZQZIDUQQ-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000100340999 554325380 /nfs/dbraw/zinc/32/53/80/554325380.db2.gz SKNOFRYXERVLQU-ZMOGYAJESA-N 0 0 542.972 6.602 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100342111 554326751 /nfs/dbraw/zinc/32/67/51/554326751.db2.gz OYSRNMMEPGZPMG-YDZHTSKRSA-N 0 0 521.507 5.327 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000100346370 554330318 /nfs/dbraw/zinc/33/03/18/554330318.db2.gz KQJUGYUJPUOGPA-PMERELPUSA-N 0 0 571.545 6.033 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000100362629 554346574 /nfs/dbraw/zinc/34/65/74/554346574.db2.gz YTOYYUIZPRVFFD-RUZDIDTESA-N 0 0 530.411 7.034 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000100363920 554348806 /nfs/dbraw/zinc/34/88/06/554348806.db2.gz POKNALRERJQDAE-UHFFFAOYSA-N 0 0 554.094 5.615 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000100369544 554355495 /nfs/dbraw/zinc/35/54/95/554355495.db2.gz UJDWXRJLAUNQSU-GRSHGNNSSA-N 0 0 579.965 6.492 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000100390954 554366647 /nfs/dbraw/zinc/36/66/47/554366647.db2.gz KPTWWPRFVYUFGL-NAYIZHHVSA-N 0 0 544.947 5.709 40 5 KKBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)c2ccccc2C(C2=CC=C(Cl)CC2)=NN3c2ccccc2)cc1 ZINC000059090065 554372296 /nfs/dbraw/zinc/37/22/96/554372296.db2.gz AGCBFZOEDIODJW-XIFFEERXSA-N 0 0 590.108 8.388 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc6ccccc6c5)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000059294138 554387586 /nfs/dbraw/zinc/38/75/86/554387586.db2.gz PFUJIAFZMXHWJZ-UHFFFAOYSA-N 0 0 506.562 7.045 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331439 554388579 /nfs/dbraw/zinc/38/85/79/554388579.db2.gz RURFUDRVPYYTBI-UHFFFAOYSA-N 0 0 519.558 5.659 40 5 KKBBRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000059331506 554388849 /nfs/dbraw/zinc/38/88/49/554388849.db2.gz PPUGTBUCYBCAKB-UHFFFAOYSA-N 0 0 517.567 5.144 40 5 KKBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059331951 554392543 /nfs/dbraw/zinc/39/25/43/554392543.db2.gz UYWNNUMSQIQKQB-UHFFFAOYSA-N 0 0 516.985 6.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000059600355 554409214 /nfs/dbraw/zinc/40/92/14/554409214.db2.gz DHTZXMHOANMKHY-YNMQQHPQSA-N 0 0 522.601 5.244 40 5 KKBBRN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Cc3ccc4nc(/C=C/c5ccc([N+](=O)[O-])cc5)oc(=O)c4c3)cc12 ZINC000100525898 554409850 /nfs/dbraw/zinc/40/98/50/554409850.db2.gz XCRVUJANIPDKIH-BGPOSVGRSA-N 0 0 600.543 6.437 40 5 KKBBRN O=C(Nc1ccc(Cc2ccc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000059663392 554421559 /nfs/dbraw/zinc/42/15/59/554421559.db2.gz BRIFCNLJZHXEMK-UHFFFAOYSA-N 0 0 556.531 6.591 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100575702 554422790 /nfs/dbraw/zinc/42/27/90/554422790.db2.gz ZKOVLWMLDVACNE-UHFFFAOYSA-N 0 0 525.930 5.532 40 5 KKBBRN CCOC(=O)c1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000100922990 554522895 /nfs/dbraw/zinc/52/28/95/554522895.db2.gz BWYFEVASWQTYBT-UTLPMFLDSA-N 0 0 537.532 6.554 40 5 KKBBRN O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1 ZINC000100946248 554534280 /nfs/dbraw/zinc/53/42/80/554534280.db2.gz 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/nfs/dbraw/zinc/68/34/09/554683409.db2.gz PVDRJNAOQDVSAD-UHFFFAOYSA-N 0 0 538.995 5.612 40 5 KKBBRN COc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000101216488 554683999 /nfs/dbraw/zinc/68/39/99/554683999.db2.gz CZGYIPMLHBTWFO-BUHFOSPRSA-N 0 0 560.614 5.366 40 5 KKBBRN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000101216672 554684320 /nfs/dbraw/zinc/68/43/20/554684320.db2.gz KPDUYVGRUSMSSJ-CCEZHUSRSA-N 0 0 560.614 5.366 40 5 KKBBRN CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191079 554894062 /nfs/dbraw/zinc/89/40/62/554894062.db2.gz WKIVEZKDGCBOBQ-HREFQMLDSA-N 0 0 597.671 6.649 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102581359 554972585 /nfs/dbraw/zinc/97/25/85/554972585.db2.gz AQBJAWWDXNNNPP-UHFFFAOYSA-N 0 0 548.349 5.092 40 5 KKBBRN 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CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103554052 555445182 /nfs/dbraw/zinc/44/51/82/555445182.db2.gz PPCVFMUUBPASDY-IDSQFFPFSA-N 0 0 561.619 5.903 40 5 KKBBRN COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103556327 555446206 /nfs/dbraw/zinc/44/62/06/555446206.db2.gz UHXKNIZXANIXRU-RAESKKBESA-N 0 0 601.615 5.468 40 5 KKBBRN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc([N+](=O)[O-])cc1 ZINC000103557168 555446604 /nfs/dbraw/zinc/44/66/04/555446604.db2.gz ZKUCCZHPJRVQSP-CJRSTVEYSA-N 0 0 533.462 5.012 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(Sc3ccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000103599055 555453768 /nfs/dbraw/zinc/45/37/68/555453768.db2.gz NZPUCTVADOJBEV-UHFFFAOYSA-N 0 0 582.597 7.773 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(I)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000103610708 555455581 /nfs/dbraw/zinc/45/55/81/555455581.db2.gz PYUQXEDJFSZSDB-UHFFFAOYSA-N 0 0 538.297 5.454 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 ZINC000103746006 555466417 /nfs/dbraw/zinc/46/64/17/555466417.db2.gz WXMUVFQPGBYGMG-UHFFFAOYSA-N 0 0 616.171 7.238 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(CCCC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000103753713 555468564 /nfs/dbraw/zinc/46/85/64/555468564.db2.gz NSOMJHIQESNYKK-UHFFFAOYSA-N 0 0 588.549 7.844 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000103754374 555468672 /nfs/dbraw/zinc/46/86/72/555468672.db2.gz WBYIULSBECRKLM-ZHGFHMGHSA-N 0 0 623.712 5.826 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757257 555470284 /nfs/dbraw/zinc/47/02/84/555470284.db2.gz FECPAFXNHOYCRP-UUWRZZSWSA-N 0 0 599.672 7.261 40 5 KKBBRN Cn1c(Sc2ccc([C@@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000103763816 555472114 /nfs/dbraw/zinc/47/21/14/555472114.db2.gz GTUNMRJAEAXUDC-VWLOTQADSA-N 0 0 535.593 5.340 40 5 KKBBRN COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000103769906 555474645 /nfs/dbraw/zinc/47/46/45/555474645.db2.gz NLXKNWDCTDJGGN-UHFFFAOYSA-N 0 0 530.377 6.451 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789781 555479378 /nfs/dbraw/zinc/47/93/78/555479378.db2.gz YSECVLHJUTZBHV-MFCBUNOESA-N 0 0 592.073 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789863 555479383 /nfs/dbraw/zinc/47/93/83/555479383.db2.gz NCBGAWXBKJXNDQ-IMUCPKNRSA-N 0 0 627.719 5.418 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791895 555481307 /nfs/dbraw/zinc/48/13/07/555481307.db2.gz QBPJKFKAKYLMCA-JLHDDXNDSA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccccc4C)n3C)cc2s1 ZINC000103807351 555481949 /nfs/dbraw/zinc/48/19/49/555481949.db2.gz LJPQCJWDDUPEPE-UHFFFAOYSA-N 0 0 622.754 6.252 40 5 KKBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000103817044 555482672 /nfs/dbraw/zinc/48/26/72/555482672.db2.gz SUPUIUGIRUVHHA-MIUGUJGPSA-N 0 0 608.657 5.989 40 5 KKBBRN COc1ccc(C=C2N=C(c3ccccc3)N(N=c3nc(Nc4ccc([N+](=O)[O-])cc4O)nc(Nc4ccc([N+](=O)[O-])cc4O)[nH]3)C2=O)cc1 ZINC000150342358 565200034 /nfs/dbraw/zinc/20/00/34/565200034.db2.gz IZNDHLHPVNFMFI-MFKUBSTISA-N 0 0 676.606 5.252 40 5 biogenic,in-vitro KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222528737 571367715 /nfs/dbraw/zinc/36/77/15/571367715.db2.gz UXDXIBCQRQBDCM-DHUJRADRSA-N 0 0 686.831 5.828 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N12)c1ccccc1 ZINC000103901148 571368935 /nfs/dbraw/zinc/36/89/35/571368935.db2.gz QHFYVXFTSTVDLU-AOGFTHLWSA-N 0 0 549.970 5.674 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@H]23)C1O ZINC000103973904 571370590 /nfs/dbraw/zinc/37/05/90/571370590.db2.gz DENCGNQTUBKZOH-WUEDSLEZSA-N 0 0 592.833 5.592 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]23)C1O ZINC000103988259 571370843 /nfs/dbraw/zinc/37/08/43/571370843.db2.gz LZDUQVIBVQDPDJ-KTEAYJLESA-N 0 0 608.832 5.292 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222565824 571371812 /nfs/dbraw/zinc/37/18/12/571371812.db2.gz IXSQECOTTRKEAF-DHUJRADRSA-N 0 0 686.831 5.828 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000104085266 571372929 /nfs/dbraw/zinc/37/29/29/571372929.db2.gz XDIBCSRNOZUHER-JQIJEIRASA-N 0 0 562.582 6.215 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000104086769 571373199 /nfs/dbraw/zinc/37/31/99/571373199.db2.gz YNUJEESAUXDTHM-UHFFFAOYSA-N 0 0 529.380 5.125 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1I ZINC000104099108 571373765 /nfs/dbraw/zinc/37/37/65/571373765.db2.gz WKULGGZNTYYABE-UHFFFAOYSA-N 0 0 521.336 5.203 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc([N+](=O)[O-])c2[N+](=O)[O-])cc1/C=C/c1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000104108599 571374077 /nfs/dbraw/zinc/37/40/77/571374077.db2.gz MLLBUEYGPSJTBQ-FKJILZIQSA-N 0 0 552.368 5.477 40 5 KKBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000104125296 571374412 /nfs/dbraw/zinc/37/44/12/571374412.db2.gz ROCQRYKSOBGXLH-UHFFFAOYSA-N 0 0 513.167 5.504 40 5 KKBBRN COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC ZINC000104222778 571377316 /nfs/dbraw/zinc/37/73/16/571377316.db2.gz UWGYLVDSEFCJBG-JLHYYAGUSA-N 0 0 541.516 6.341 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222623576 571377628 /nfs/dbraw/zinc/37/76/28/571377628.db2.gz RSUCPJDXZZXOLA-AREMUKBSSA-N 0 0 554.043 5.048 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222632961 571378366 /nfs/dbraw/zinc/37/83/66/571378366.db2.gz LMWICSKNXPPCGG-HHHXNRCGSA-N 0 0 554.112 5.894 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222677946 571383240 /nfs/dbraw/zinc/38/32/40/571383240.db2.gz CDCHNCGIWXYMFA-HHHXNRCGSA-N 0 0 665.596 5.746 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222680445 571383596 /nfs/dbraw/zinc/38/35/96/571383596.db2.gz PIVJCNSFZDVGRN-YTTGMZPUSA-N 0 0 663.196 5.856 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000104655231 571383666 /nfs/dbraw/zinc/38/36/66/571383666.db2.gz ZBTFBCUDFJWSTQ-ACHQHTMYSA-N 0 0 601.684 5.815 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n31)c1ccccc1CC2 ZINC000104655623 571383752 /nfs/dbraw/zinc/38/37/52/571383752.db2.gz OIMXAKNRPBZONQ-HTNWYMAZSA-N 0 0 550.683 6.634 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656679 571384117 /nfs/dbraw/zinc/38/41/17/571384117.db2.gz WDRGEDKNFZOMLW-UNDLXJOSSA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657131 571384209 /nfs/dbraw/zinc/38/42/09/571384209.db2.gz MGQFSLDBQXDYRO-DUCIMOQJSA-N 0 0 601.684 5.815 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)c(OC)c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000104658087 571384458 /nfs/dbraw/zinc/38/44/58/571384458.db2.gz GUGNYCSJRVTZSH-FVUNBJOLSA-N 0 0 621.671 5.513 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658011 571384466 /nfs/dbraw/zinc/38/44/66/571384466.db2.gz ALHYWISCYKRRGY-NBQDTTAVSA-N 0 0 591.645 5.504 40 5 KKBBRN Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000104659059 571384744 /nfs/dbraw/zinc/38/47/44/571384744.db2.gz UCBWEIXTJZTNFL-JLHDDXNDSA-N 0 0 545.620 5.795 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104659602 571384896 /nfs/dbraw/zinc/38/48/96/571384896.db2.gz OWTBUHQEYPJGAP-RZCKFYKVSA-N 0 0 615.711 6.205 40 5 KKBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000104659449 571384903 /nfs/dbraw/zinc/38/49/03/571384903.db2.gz BHHOCPQCAXWUOY-NBQDTTAVSA-N 0 0 602.628 5.927 40 5 KKBBRN O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@@H](c4cccc([N+](=O)[O-])c4)C3)c3cccc(c4nc5ccccc5n41)c32 ZINC000104663212 571385005 /nfs/dbraw/zinc/38/50/05/571385005.db2.gz YICOUYZSTGXOOL-SSEXGKCCSA-N 0 0 580.560 6.764 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)sc2=N1 ZINC000104676672 571385089 /nfs/dbraw/zinc/38/50/89/571385089.db2.gz FGCMRRZFTBUECA-UNDLXJOSSA-N 0 0 615.708 5.879 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000104676577 571385103 /nfs/dbraw/zinc/38/51/03/571385103.db2.gz AOHNQBPGQGSCTD-USDTVRPUSA-N 0 0 620.127 6.524 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000104676660 571385116 /nfs/dbraw/zinc/38/51/16/571385116.db2.gz JMRHKQXBDCEYRO-JLKMOJGBSA-N 0 0 599.709 6.179 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000104676955 571385208 /nfs/dbraw/zinc/38/52/08/571385208.db2.gz GNXWWTISZLMYFP-GONGWJOBSA-N 0 0 625.747 6.189 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000104911532 571387391 /nfs/dbraw/zinc/38/73/91/571387391.db2.gz IQBBEVPRXPYOOU-UHFFFAOYSA-N 0 0 526.849 5.523 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000104911538 571387435 /nfs/dbraw/zinc/38/74/35/571387435.db2.gz OYKYLLCUGTVLEW-UHFFFAOYSA-N 0 0 526.849 5.523 40 5 KKBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222708817 571387454 /nfs/dbraw/zinc/38/74/54/571387454.db2.gz GGJULVIQSSVPOL-QGZVFWFLSA-N 0 0 657.960 5.231 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])cc1C ZINC000104945052 571388484 /nfs/dbraw/zinc/38/84/84/571388484.db2.gz BLNQEADIDHEKAD-ITNPZBTBSA-N 0 0 608.651 5.798 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000105024122 571389430 /nfs/dbraw/zinc/38/94/30/571389430.db2.gz AIZDSDXVTRPBKS-NTUHNPAUSA-N 0 0 533.795 6.978 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222732630 571390902 /nfs/dbraw/zinc/39/09/02/571390902.db2.gz NITXRHOMFOKIRU-XIFFEERXSA-N 0 0 725.239 6.312 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 ZINC000105105191 571391667 /nfs/dbraw/zinc/39/16/67/571391667.db2.gz IPNOEJKGVICOJE-IEVQEWPMSA-N 0 0 543.620 5.146 40 5 KKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105222445 571392241 /nfs/dbraw/zinc/39/22/41/571392241.db2.gz LLBGNLZJSVTZSJ-UHFFFAOYSA-N 0 0 534.833 8.299 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000105303286 571392789 /nfs/dbraw/zinc/39/27/89/571392789.db2.gz SGECUBJXTYUNNS-NTCAYCPXSA-N 0 0 571.033 6.431 40 5 KKBBRN O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000105303710 571392909 /nfs/dbraw/zinc/39/29/09/571392909.db2.gz WCMFOQWLVRQLIR-WEVVVXLNSA-N 0 0 548.496 5.128 40 5 KKBBRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000105303735 571392911 /nfs/dbraw/zinc/39/29/11/571392911.db2.gz OUBQWDKNDCUCHP-RMKNXTFCSA-N 0 0 614.555 6.388 40 5 KKBBRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000105303875 571392987 /nfs/dbraw/zinc/39/29/87/571392987.db2.gz RMMKTLNQOIGRQY-FNORWQNLSA-N 0 0 565.866 6.052 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000105304608 571393221 /nfs/dbraw/zinc/39/32/21/571393221.db2.gz AFSZBUSPEJVGHI-UHFFFAOYSA-N 0 0 526.574 6.913 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105304654 571393387 /nfs/dbraw/zinc/39/33/87/571393387.db2.gz NXGJZXHDNLNDOM-UHFFFAOYSA-N 0 0 526.530 5.980 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222755096 571393402 /nfs/dbraw/zinc/39/34/02/571393402.db2.gz CGODORGCBMRVNX-MHZLTWQESA-N 0 0 537.657 5.379 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305771 571393788 /nfs/dbraw/zinc/39/37/88/571393788.db2.gz DLMVIZJTCMGPQG-UHFFFAOYSA-N 0 0 584.485 7.135 40 5 KKBBRN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000105306041 571393867 /nfs/dbraw/zinc/39/38/67/571393867.db2.gz QLCHHYKFZZGUJM-UHFFFAOYSA-N 0 0 543.649 6.644 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000105306063 571393888 /nfs/dbraw/zinc/39/38/88/571393888.db2.gz WWBGQCMLXNIVOH-UHFFFAOYSA-N 0 0 543.649 6.644 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000105305979 571393915 /nfs/dbraw/zinc/39/39/15/571393915.db2.gz XYIFXHNFFQGLIC-UHFFFAOYSA-N 0 0 566.043 5.108 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306287 571393954 /nfs/dbraw/zinc/39/39/54/571393954.db2.gz MHRMNNGMMSVHDH-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000105306200 571393968 /nfs/dbraw/zinc/39/39/68/571393968.db2.gz GKDMLZKZDHXZTK-UHFFFAOYSA-N 0 0 557.676 6.321 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306274 571393974 /nfs/dbraw/zinc/39/39/74/571393974.db2.gz RXZQYJVEIKSQTN-UHFFFAOYSA-N 0 0 554.053 5.488 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105306148 571393998 /nfs/dbraw/zinc/39/39/98/571393998.db2.gz KEDSCOSHBXZOTK-UHFFFAOYSA-N 0 0 570.458 6.827 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000105306557 571394070 /nfs/dbraw/zinc/39/40/70/571394070.db2.gz WDQFDSLRYIAWRE-UHFFFAOYSA-N 0 0 561.620 5.195 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222760225 571394067 /nfs/dbraw/zinc/39/40/67/571394067.db2.gz NDAILBLGTRNPBX-JGCGQSQUSA-N 0 0 646.741 5.342 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000105306693 571394213 /nfs/dbraw/zinc/39/42/13/571394213.db2.gz WRHLPMKJZVCRCC-UHFFFAOYSA-N 0 0 568.011 5.028 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306667 571394223 /nfs/dbraw/zinc/39/42/23/571394223.db2.gz YCAYKOPIUPYARD-UHFFFAOYSA-N 0 0 572.430 5.673 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306679 571394227 /nfs/dbraw/zinc/39/42/27/571394227.db2.gz 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571398253 /nfs/dbraw/zinc/39/82/53/571398253.db2.gz HBFYBXQCEUOVFA-UHFFFAOYSA-N 0 0 583.674 6.179 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000105314486 571398543 /nfs/dbraw/zinc/39/85/43/571398543.db2.gz PXGLREHOLCQNAU-UHFFFAOYSA-N 0 0 575.050 6.712 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000105314904 571398705 /nfs/dbraw/zinc/39/87/05/571398705.db2.gz ZSOOKLWHQKINGT-UHFFFAOYSA-N 0 0 559.692 6.262 40 5 KKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000105315785 571399210 /nfs/dbraw/zinc/39/92/10/571399210.db2.gz LYBUQZKPLMVLDB-ZDUSSCGKSA-N 0 0 526.640 5.293 40 5 KKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000105315783 571399252 /nfs/dbraw/zinc/39/92/52/571399252.db2.gz LYBUQZKPLMVLDB-CYBMUJFWSA-N 0 0 526.640 5.293 40 5 KKBBRN 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571417145 /nfs/dbraw/zinc/41/71/45/571417145.db2.gz GRKPDFQOOKCVGV-KSEXSDGBSA-N 0 0 571.970 5.650 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000106740776 571417217 /nfs/dbraw/zinc/41/72/17/571417217.db2.gz SHJFBKJHXFZRKF-PKAZHMFMSA-N 0 0 554.580 6.602 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000106740735 571417243 /nfs/dbraw/zinc/41/72/43/571417243.db2.gz SYSHRAJZBLHWPL-CFRMEGHHSA-N 0 0 559.427 7.116 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222958346 571417262 /nfs/dbraw/zinc/41/72/62/571417262.db2.gz VNTLULGQKXJSOF-JGCGQSQUSA-N 0 0 697.641 6.509 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1c(F)cccc1Cl ZINC000106741737 571417299 /nfs/dbraw/zinc/41/72/99/571417299.db2.gz UIXAWBUUPMCGCA-MSXFZWOLSA-N 0 0 521.957 6.627 40 5 KKBBRN CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000106745283 571417350 /nfs/dbraw/zinc/41/73/50/571417350.db2.gz RWMBNUNLWDQIDT-SXGWCWSVSA-N 0 0 542.205 5.755 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc(I)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745259 571417354 /nfs/dbraw/zinc/41/73/54/571417354.db2.gz FRBALDMWHYZGRQ-ODLFYWEKSA-N 0 0 532.315 5.696 40 5 KKBBRN CCCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000106745324 571417455 /nfs/dbraw/zinc/41/74/55/571417455.db2.gz HBGTXJIYTCRFCK-UNOMPAQXSA-N 0 0 521.389 5.781 40 5 KKBBRN CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106745500 571417492 /nfs/dbraw/zinc/41/74/92/571417492.db2.gz MVIVQNLTOJFKRE-ITYLOYPMSA-N 0 0 532.618 6.587 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000106745595 571417495 /nfs/dbraw/zinc/41/74/95/571417495.db2.gz CIHZUDVKLQCDJN-UCQKPKSFSA-N 0 0 569.433 6.572 40 5 KKBBRN 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/nfs/dbraw/zinc/43/25/73/571432573.db2.gz UTDPOFNEQOXAIE-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)c1 ZINC000111468519 571432735 /nfs/dbraw/zinc/43/27/35/571432735.db2.gz HUJCAOZJPBOZQT-JLKMOJGBSA-N 0 0 622.659 5.059 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c1 ZINC000111468817 571432752 /nfs/dbraw/zinc/43/27/52/571432752.db2.gz LBKLCNSBHMDCOU-UNDLXJOSSA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000111469411 571432768 /nfs/dbraw/zinc/43/27/68/571432768.db2.gz HPTTWIIYPYLLJZ-KUSDHMTMSA-N 0 0 621.671 5.421 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000111469482 571432792 /nfs/dbraw/zinc/43/27/92/571432792.db2.gz CPEVBIUOHJARMX-JQTKYWOZSA-N 0 0 595.608 5.243 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000111469807 571432820 /nfs/dbraw/zinc/43/28/20/571432820.db2.gz OPUJPEXYWSNMMN-CLNXTWJPSA-N 0 0 607.644 5.112 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000111469775 571432889 /nfs/dbraw/zinc/43/28/89/571432889.db2.gz AGQLPKVYNVNTRD-CLNXTWJPSA-N 0 0 607.644 5.112 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000111469967 571432961 /nfs/dbraw/zinc/43/29/61/571432961.db2.gz IBSOWKDWOFEXFI-JQTKYWOZSA-N 0 0 595.608 5.243 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ccccc2s1 ZINC000112230819 571434115 /nfs/dbraw/zinc/43/41/15/571434115.db2.gz HTCDEUMYEGUZIM-UHFFFAOYSA-N 0 0 533.635 5.143 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)oc2c1 ZINC000112239812 571434915 /nfs/dbraw/zinc/43/49/15/571434915.db2.gz RZNGKWQYJRDWSB-UHFFFAOYSA-N 0 0 552.012 5.328 40 5 KKBBRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112238654 571434967 /nfs/dbraw/zinc/43/49/67/571434967.db2.gz FFZCRQLPHWSLRK-UHFFFAOYSA-N 0 0 611.955 5.359 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112240376 571435060 /nfs/dbraw/zinc/43/50/60/571435060.db2.gz BBJOLKVHBASOEY-UHFFFAOYSA-N 0 0 553.600 5.520 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112242867 571435390 /nfs/dbraw/zinc/43/53/90/571435390.db2.gz LLUQMNXKODNVOT-UHFFFAOYSA-N 0 0 557.788 5.908 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000112251830 571436515 /nfs/dbraw/zinc/43/65/15/571436515.db2.gz PIKSWZOKTZRHOK-JVWAILMASA-N 0 0 526.570 6.572 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223157694 571437958 /nfs/dbraw/zinc/43/79/58/571437958.db2.gz WVDCODQFKSCMOM-RUZDIDTESA-N 0 0 645.178 5.483 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912957 571443548 /nfs/dbraw/zinc/44/35/48/571443548.db2.gz HWYJEBSPZZWBMD-NSZYPROASA-O 0 0 583.900 5.283 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000119031788 571448122 /nfs/dbraw/zinc/44/81/22/571448122.db2.gz FGAOHUMBQGSZQZ-QQEOQBPSSA-N 0 0 596.765 8.281 40 5 KKBBRN COc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000138246030 571451171 /nfs/dbraw/zinc/45/11/71/571451171.db2.gz BAIGDXDXECRXKU-HHHXNRCGSA-N 0 0 509.562 5.102 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223262491 571452199 /nfs/dbraw/zinc/45/21/99/571452199.db2.gz WIASPXCCUCCSSL-CUNXSJBXSA-N 0 0 519.667 5.383 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223262739 571452212 /nfs/dbraw/zinc/45/22/12/571452212.db2.gz FQZQNCZMAJWEDQ-OAQYLSRUSA-N 0 0 649.141 5.233 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223269462 571452820 /nfs/dbraw/zinc/45/28/20/571452820.db2.gz XNJMBJQLMWTBLH-XYFQYJLHSA-N 0 0 628.751 5.345 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000139306937 571453101 /nfs/dbraw/zinc/45/31/01/571453101.db2.gz ROAUQPNIBYLVTL-HSZRJFAPSA-N 0 0 624.705 5.404 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 ZINC000139950745 571454257 /nfs/dbraw/zinc/45/42/57/571454257.db2.gz WROGOUXZYQEWJR-JLKMOJGBSA-N 0 0 561.619 5.496 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223293810 571456283 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163682948 571540195 /nfs/dbraw/zinc/54/01/95/571540195.db2.gz SBCSNVCEKXWMSN-ORVZPOCUSA-N 0 0 651.053 5.069 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223767700 571540888 /nfs/dbraw/zinc/54/08/88/571540888.db2.gz BCRAMXTWXRQMDW-MUUNZHRXSA-N 0 0 645.178 5.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163707891 571541096 /nfs/dbraw/zinc/54/10/96/571541096.db2.gz BWOLTBJQOVKJRV-MFCBUNOESA-N 0 0 632.676 5.129 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163708021 571541099 /nfs/dbraw/zinc/54/10/99/571541099.db2.gz SSQKEJYNACMXCV-SUAMDDGLSA-N 0 0 632.676 5.129 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223770128 571541323 /nfs/dbraw/zinc/54/13/23/571541323.db2.gz FQCRAUREHADYQE-FQRUVTKNSA-N 0 0 552.469 5.455 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224415853 571541529 /nfs/dbraw/zinc/54/15/29/571541529.db2.gz QAQVLUKBCQAGOK-VWLOTQADSA-N 0 0 538.442 5.066 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163719723 571541644 /nfs/dbraw/zinc/54/16/44/571541644.db2.gz HPVNZADDKLWRBB-CBYYHRJHSA-N 0 0 752.949 6.252 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163723634 571541795 /nfs/dbraw/zinc/54/17/95/571541795.db2.gz DOPUYMREEGFWLN-PNZYDNNZSA-N 0 0 708.498 6.143 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224417772 571541873 /nfs/dbraw/zinc/54/18/73/571541873.db2.gz BRHIGFCURYGURN-DEOSSOPVSA-N 0 0 686.014 6.011 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224420525 571542443 /nfs/dbraw/zinc/54/24/43/571542443.db2.gz GPEBUVWLUXVCRS-WJOKGBTCSA-N 0 0 693.620 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163742178 571542523 /nfs/dbraw/zinc/54/25/23/571542523.db2.gz UBOCLPJCHJHVJE-JBVGNYNVSA-N 0 0 679.751 5.846 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163751507 571542707 /nfs/dbraw/zinc/54/27/07/571542707.db2.gz VPVVTVQIYNAZMZ-TUVDJZKNSA-N 0 0 708.840 7.955 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223778991 571542794 /nfs/dbraw/zinc/54/27/94/571542794.db2.gz MFIOJUALBKJLBQ-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163773834 571543165 /nfs/dbraw/zinc/54/31/65/571543165.db2.gz NMTPQKSCKAGCGF-VNOBABJFSA-N 0 0 680.580 6.577 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000163923922 571543585 /nfs/dbraw/zinc/54/35/85/571543585.db2.gz GDKKEPXQLBBTLS-VPHSIRQSSA-N 0 0 644.662 5.114 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164111489 571544300 /nfs/dbraw/zinc/54/43/00/571544300.db2.gz DVTLHBJSUGQJTA-FHQMNNMHSA-N 0 0 717.579 6.760 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000164182296 571544425 /nfs/dbraw/zinc/54/44/25/571544425.db2.gz AXWHKFZRHYDLHG-QQMBNGEASA-N 0 0 722.614 5.845 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000164193637 571544792 /nfs/dbraw/zinc/54/47/92/571544792.db2.gz MUVFJRXYVQSLBT-LSVWWTIFSA-N 0 0 754.865 7.629 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000164203865 571544989 /nfs/dbraw/zinc/54/49/89/571544989.db2.gz YUEMRWMLECQCPJ-HTNWYMAZSA-N 0 0 707.761 5.876 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224444878 571547563 /nfs/dbraw/zinc/54/75/63/571547563.db2.gz ASPIGTCLNFXRKG-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223805460 571549043 /nfs/dbraw/zinc/54/90/43/571549043.db2.gz SNCOCXHJHQJOEK-IBVKSMDESA-N 0 0 552.469 5.455 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223805518 571549094 /nfs/dbraw/zinc/54/90/94/571549094.db2.gz SYIWZCJJLGMLMO-SANMLTNESA-N 0 0 679.623 6.138 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164524807 571549200 /nfs/dbraw/zinc/54/92/00/571549200.db2.gz YZNCEUONRJMCDF-LLXISZFLSA-N 0 0 773.605 6.036 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164542784 571549589 /nfs/dbraw/zinc/54/95/89/571549589.db2.gz LJPBTWDVBPSLSU-JESJEVRBSA-N 0 0 708.705 5.562 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223806436 571549623 /nfs/dbraw/zinc/54/96/23/571549623.db2.gz ASCIPKBRDNSZCJ-NLGDKJDOSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164537592 571549631 /nfs/dbraw/zinc/54/96/31/571549631.db2.gz IOIASHHUIIKEMU-XNENXQGPSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164552547 571549833 /nfs/dbraw/zinc/54/98/33/571549833.db2.gz HJKLFTRYQNDIII-WGJPBTIMSA-N 0 0 805.501 6.956 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224456818 571550166 /nfs/dbraw/zinc/55/01/66/571550166.db2.gz SIKDCBSSKLJFBG-AREMUKBSSA-N 0 0 574.530 6.301 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223808646 571550490 /nfs/dbraw/zinc/55/04/90/571550490.db2.gz VROOWDATFPFDRH-OOXUFLSTSA-N 0 0 751.700 6.424 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224458801 571550581 /nfs/dbraw/zinc/55/05/81/571550581.db2.gz YAAOOXJJJVQVHY-DEOSSOPVSA-N 0 0 686.014 6.011 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223809372 571550740 /nfs/dbraw/zinc/55/07/40/571550740.db2.gz BNZOVVIGMPCDSZ-INJOXJOKSA-N 0 0 786.145 7.078 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1 ZINC000166334839 571552617 /nfs/dbraw/zinc/55/26/17/571552617.db2.gz MIAWJNHILMHNGQ-QFIPXVFZSA-N 0 0 565.681 5.013 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223815859 571553713 /nfs/dbraw/zinc/55/37/13/571553713.db2.gz ZZXORKOLHAXEGL-DCFHFQCYSA-N 0 0 588.557 6.690 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224472329 571553924 /nfs/dbraw/zinc/55/39/24/571553924.db2.gz BTZIVXUVJYRPTB-MHZLTWQESA-N 0 0 726.079 6.934 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223816111 571553934 /nfs/dbraw/zinc/55/39/34/571553934.db2.gz JSPIXBDORVHTAE-NIYFSFCBSA-N 0 0 542.463 5.999 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224473023 571554122 /nfs/dbraw/zinc/55/41/22/571554122.db2.gz YCRGNELHWYKHCA-MGBGTMOVSA-N 0 0 727.667 6.580 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223818749 571554891 /nfs/dbraw/zinc/55/48/91/571554891.db2.gz WBMSSMKFRKZIRC-QFIPXVFZSA-N 0 0 526.486 5.859 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223841115 571559875 /nfs/dbraw/zinc/55/98/75/571559875.db2.gz LUUYSABRLCZAJN-NIYFSFCBSA-N 0 0 588.488 5.844 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223855635 571562387 /nfs/dbraw/zinc/56/23/87/571562387.db2.gz RHYYLDDNVRUECO-NFQMXDRXSA-N 0 0 588.557 6.690 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000170620925 571562691 /nfs/dbraw/zinc/56/26/91/571562691.db2.gz RIYNVJGXIKZELI-WAGMSWJSSA-N 0 0 577.127 7.692 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224512914 571564043 /nfs/dbraw/zinc/56/40/43/571564043.db2.gz HIJQLMAUZYLSJM-XIFFEERXSA-N 0 0 727.667 6.580 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000197764257 571564534 /nfs/dbraw/zinc/56/45/34/571564534.db2.gz IGUKVYDFFBOVBI-KRWDZBQOSA-N 0 0 565.681 5.168 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224516426 571564538 /nfs/dbraw/zinc/56/45/38/571564538.db2.gz MSXMUMGWYOGPNS-JGCGQSQUSA-N 0 0 762.112 7.234 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](NC(=O)c4ccccc4)C(C)C)n3C)n2)cc1[N+](=O)[O-] ZINC000197764388 571564596 /nfs/dbraw/zinc/56/45/96/571564596.db2.gz VBJBGWDFXOJJNR-QFIPXVFZSA-N 0 0 565.681 5.013 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223877921 571566488 /nfs/dbraw/zinc/56/64/88/571566488.db2.gz HHVRDXRHNWZHCS-GJBXTBEHSA-N 0 0 776.139 7.622 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223879189 571566854 /nfs/dbraw/zinc/56/68/54/571566854.db2.gz PEDZDGNKUGUQFR-SANMLTNESA-N 0 0 714.068 6.791 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198310543 571566989 /nfs/dbraw/zinc/56/69/89/571566989.db2.gz KNUOXUHXSIQAMO-UHFFFAOYSA-N 0 0 645.115 5.200 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224534768 571568588 /nfs/dbraw/zinc/56/85/88/571568588.db2.gz AREBFAFKGCZMLO-XIFFEERXSA-N 0 0 741.694 6.969 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000205698621 571570262 /nfs/dbraw/zinc/57/02/62/571570262.db2.gz VCYJWGFRGUSECJ-FSJBWODESA-N 0 0 638.323 7.878 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000205773170 571571031 /nfs/dbraw/zinc/57/10/31/571571031.db2.gz CQHSNRXEAHRPQD-RGVLZGJSSA-N 0 0 546.342 6.004 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224547917 571571807 /nfs/dbraw/zinc/57/18/07/571571807.db2.gz NBVXBHWRTZWZNH-RUZDIDTESA-N 0 0 588.488 5.844 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205908213 571571970 /nfs/dbraw/zinc/57/19/70/571571970.db2.gz LHULNSULPCLNJU-RGVLZGJSSA-N 0 0 551.499 5.073 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224554753 571573356 /nfs/dbraw/zinc/57/33/56/571573356.db2.gz AGDVMWODSYSXTA-AREMUKBSSA-N 0 0 588.557 6.690 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224555487 571573438 /nfs/dbraw/zinc/57/34/38/571573438.db2.gz OZIDMLKWVHDEPC-VWLOTQADSA-N 0 0 542.463 5.999 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223911405 571573596 /nfs/dbraw/zinc/57/35/96/571573596.db2.gz LPRDMUAMMHBEKX-HRFSGMKKSA-N 0 0 588.557 6.690 40 5 KKBBRN Cc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 ZINC000211441621 571576354 /nfs/dbraw/zinc/57/63/54/571576354.db2.gz SYMFRJMNEPLATG-KIQOBVLXSA-N 0 0 606.660 5.737 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224568382 571576551 /nfs/dbraw/zinc/57/65/51/571576551.db2.gz GZSICAXCFBVMGH-VWLOTQADSA-N 0 0 574.461 5.455 40 5 KKBBRN O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=Cc1cccc(F)c1)NC(=O)c1ccccc1 ZINC000211444531 571576545 /nfs/dbraw/zinc/57/65/45/571576545.db2.gz OBIVSTWMSFMDMW-ITQMKJDXSA-N 0 0 610.623 5.568 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214056299 571577167 /nfs/dbraw/zinc/57/71/67/571577167.db2.gz QDBYIEVFSWVRQG-YDZHTSKRSA-N 0 0 544.507 7.041 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214090149 571577535 /nfs/dbraw/zinc/57/75/35/571577535.db2.gz VXBIEJALTYHWKH-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214087434 571577579 /nfs/dbraw/zinc/57/75/79/571577579.db2.gz HRKXLPBUKCFTPT-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214167215 571577876 /nfs/dbraw/zinc/57/78/76/571577876.db2.gz MFKZRNNNANJKPG-SSDVNMTOSA-N 0 0 541.925 6.194 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214221815 571578033 /nfs/dbraw/zinc/57/80/33/571578033.db2.gz MMHVEOJFZVTMRM-SRZZPIQSSA-N 0 0 518.444 6.782 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214223097 571578050 /nfs/dbraw/zinc/57/80/50/571578050.db2.gz ODSLYLRFEVHFGH-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214267388 571578269 /nfs/dbraw/zinc/57/82/69/571578269.db2.gz KKICJGQMQJAEID-SSDVNMTOSA-N 0 0 525.470 5.680 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214395375 571578894 /nfs/dbraw/zinc/57/88/94/571578894.db2.gz XLVPVVJCNOTGLW-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214434383 571579196 /nfs/dbraw/zinc/57/91/96/571579196.db2.gz OXVFASPTVSVZLC-FOKLQQMPSA-N 0 0 545.400 6.726 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224586124 571580912 /nfs/dbraw/zinc/58/09/12/571580912.db2.gz XBBXAJSHMIOZRX-NDEPHWFRSA-N 0 0 687.215 5.635 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224586539 571581094 /nfs/dbraw/zinc/58/10/94/571581094.db2.gz CCHZFUPDVXMSGK-AREMUKBSSA-N 0 0 588.557 6.690 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214807629 571581158 /nfs/dbraw/zinc/58/11/58/571581158.db2.gz AGQMDDLNBVLVJT-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223947768 571581383 /nfs/dbraw/zinc/58/13/83/571581383.db2.gz HZRPJIFQQWJENC-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214829767 571581447 /nfs/dbraw/zinc/58/14/47/571581447.db2.gz IWIPQSFJAVJDHH-UFFVCSGVSA-N 0 0 576.370 6.847 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214893676 571581723 /nfs/dbraw/zinc/58/17/23/571581723.db2.gz KIBXDCRRDWLRIJ-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223949583 571581743 /nfs/dbraw/zinc/58/17/43/571581743.db2.gz PVRBZTGMIVAMCG-SVBPBHIXSA-N 0 0 527.606 5.264 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214924112 571581966 /nfs/dbraw/zinc/58/19/66/571581966.db2.gz VHOXOIWXGSWAGU-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224590686 571581989 /nfs/dbraw/zinc/58/19/89/571581989.db2.gz OAFVTCCVBRMGPD-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214945822 571582030 /nfs/dbraw/zinc/58/20/30/571582030.db2.gz UIVLBPVNPGOJDE-UFFVCSGVSA-N 0 0 658.246 8.167 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214945218 571582048 /nfs/dbraw/zinc/58/20/48/571582048.db2.gz WSSDTPQNGZCQAI-YDZHTSKRSA-N 0 0 555.406 6.181 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224590852 571582091 /nfs/dbraw/zinc/58/20/91/571582091.db2.gz DSPJDGOVIBXYNO-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214987223 571582423 /nfs/dbraw/zinc/58/24/23/571582423.db2.gz QKLPQVGSWBLLEC-CIAFOILYSA-N 0 0 698.276 6.620 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000214984824 571582434 /nfs/dbraw/zinc/58/24/34/571582434.db2.gz RCBQKNZZSMHKRY-FSJBWODESA-N 0 0 638.323 7.878 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214999270 571582440 /nfs/dbraw/zinc/58/24/40/571582440.db2.gz FCQSWSRDXNLJOQ-SRZZPIQSSA-N 0 0 638.721 7.589 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000215014584 571582469 /nfs/dbraw/zinc/58/24/69/571582469.db2.gz XUSATWNRUSRPOV-FOKLQQMPSA-N 0 0 545.400 6.726 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215013638 571582505 /nfs/dbraw/zinc/58/25/05/571582505.db2.gz IBXCNFFARVEFFA-SRZZPIQSSA-N 0 0 545.451 6.551 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215009491 571582511 /nfs/dbraw/zinc/58/25/11/571582511.db2.gz SIRNIHPVZKLHPC-SSDVNMTOSA-N 0 0 552.477 5.449 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215022936 571582556 /nfs/dbraw/zinc/58/25/56/571582556.db2.gz YYUBCYWEJAOFBR-SRZZPIQSSA-N 0 0 638.721 7.589 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223953524 571582628 /nfs/dbraw/zinc/58/26/28/571582628.db2.gz KJSYQTLINWXVHX-VSGBNLITSA-N 0 0 557.632 5.272 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000215093687 571582958 /nfs/dbraw/zinc/58/29/58/571582958.db2.gz NXOSVGMJHNDSCA-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1Br ZINC000215061497 571582972 /nfs/dbraw/zinc/58/29/72/571582972.db2.gz GRUCMVSZAAJHJQ-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl ZINC000215118784 571583143 /nfs/dbraw/zinc/58/31/43/571583143.db2.gz CDNIOSOVHCDTSL-ZVBGSRNCSA-N 0 0 552.889 7.435 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000215124992 571583295 /nfs/dbraw/zinc/58/32/95/571583295.db2.gz BLLQKVSQYDLUDX-WYMPLXKRSA-N 0 0 542.972 6.602 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223956656 571583334 /nfs/dbraw/zinc/58/33/34/571583334.db2.gz UAMYXHINBIMESS-FQEVSTJZSA-N 0 0 696.020 5.467 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224601458 571584123 /nfs/dbraw/zinc/58/41/23/571584123.db2.gz FPHHRQAIIGBBLS-SANMLTNESA-N 0 0 665.596 5.231 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 ZINC000215229901 571584146 /nfs/dbraw/zinc/58/41/46/571584146.db2.gz PLIOSPVCVIYOOL-SRZZPIQSSA-N 0 0 603.350 6.136 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000215244549 571584281 /nfs/dbraw/zinc/58/42/81/571584281.db2.gz TUJSBDKMKSJQEV-PGGKNCGUSA-N 0 0 554.964 5.801 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223974418 571586961 /nfs/dbraw/zinc/58/69/61/571586961.db2.gz TUUDPDNFZQTYEN-OOOSNSGVSA-N 0 0 658.777 5.354 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223985173 571589069 /nfs/dbraw/zinc/58/90/69/571589069.db2.gz GHAJETBHFRWTCH-QYTMHSNXSA-N 0 0 702.830 5.671 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000216526118 571597705 /nfs/dbraw/zinc/59/77/05/571597705.db2.gz FGMMECMVFCEUJT-UHFFFAOYSA-N 0 0 580.062 6.278 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224684301 571603305 /nfs/dbraw/zinc/60/33/05/571603305.db2.gz FKXGHFKMLZOPSJ-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 ZINC000224687797 571604362 /nfs/dbraw/zinc/60/43/62/571604362.db2.gz BUVCVSMGJBHIIP-CONSDPRKSA-N 0 0 578.650 7.536 40 5 KKBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] ZINC000222308464 571605030 /nfs/dbraw/zinc/60/50/30/571605030.db2.gz JXWRLZKRBGOJKN-RXJAJXMTSA-N 0 0 527.374 5.781 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224691061 571605199 /nfs/dbraw/zinc/60/51/99/571605199.db2.gz NGSNKJBWVYTDFX-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224691224 571605209 /nfs/dbraw/zinc/60/52/09/571605209.db2.gz CUVCIYSROWAZRZ-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224072800 571606556 /nfs/dbraw/zinc/60/65/56/571606556.db2.gz FCELKBISWMBBES-RRPNLBNLSA-N 0 0 581.050 6.114 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224709149 571607638 /nfs/dbraw/zinc/60/76/38/571607638.db2.gz CJUSPMXBXQRVAM-NRFANRHFSA-N 0 0 643.560 5.029 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224085537 571607983 /nfs/dbraw/zinc/60/79/83/571607983.db2.gz OLKIQMYVLIJXKQ-UMSFTDKQSA-N 0 0 672.804 5.582 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224715482 571609098 /nfs/dbraw/zinc/60/90/98/571609098.db2.gz VGRSYZFRJSLROX-KYJUHHDHSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224715745 571609158 /nfs/dbraw/zinc/60/91/58/571609158.db2.gz WHLWIYRUTBUBAX-XZWHSSHBSA-N 0 0 547.640 7.058 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Cl)s3)cc2)cc1 ZINC000224761299 571614705 /nfs/dbraw/zinc/61/47/05/571614705.db2.gz NLPICLHTDTZWOA-DHIUTWEWSA-N 0 0 525.080 7.033 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(Br)cs3)cc2)cc1 ZINC000224761561 571614742 /nfs/dbraw/zinc/61/47/42/571614742.db2.gz UVTDAXJQEUTRPZ-GOTSBHOMSA-N 0 0 569.531 7.142 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccnc3)cc2)cc1 ZINC000224762155 571614807 /nfs/dbraw/zinc/61/48/07/571614807.db2.gz SJPGECIBOJDVIU-NSOVKSMOSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224763279 571614896 /nfs/dbraw/zinc/61/48/96/571614896.db2.gz KFLGCFJHWHZESS-ACHIHNKUSA-N 0 0 626.207 8.687 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 ZINC000224765569 571615074 /nfs/dbraw/zinc/61/50/74/571615074.db2.gz DBTUWUGTCXQBGM-IHLOFXLRSA-N 0 0 578.723 7.121 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000224766381 571615127 /nfs/dbraw/zinc/61/51/27/571615127.db2.gz BLVWHXFJNVJPJI-URLMMPGGSA-N 0 0 602.116 7.901 40 5 KKBBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 ZINC000224767893 571615246 /nfs/dbraw/zinc/61/52/46/571615246.db2.gz GVPSKWCRTABNGG-WDYNHAJCSA-N 0 0 564.696 6.812 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3cccnc3)cc2)cc1 ZINC000224767587 571615256 /nfs/dbraw/zinc/61/52/56/571615256.db2.gz ZDROJWUGFQZLJY-FQLXRVMXSA-N 0 0 564.696 6.563 40 5 KKBBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 ZINC000224767941 571615267 /nfs/dbraw/zinc/61/52/67/571615267.db2.gz GVPSKWCRTABNGG-URLMMPGGSA-N 0 0 564.696 6.812 40 5 KKBBRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224769698 571615423 /nfs/dbraw/zinc/61/54/23/571615423.db2.gz BQGSDVXPNDOXTM-SXOMAYOGSA-N 0 0 529.691 6.756 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224776545 571616060 /nfs/dbraw/zinc/61/60/60/571616060.db2.gz KXOSWZIMDXWEKS-JOCHJYFZSA-N 0 0 526.486 5.714 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C3CCCCC3)cc2)cc1 ZINC000224780463 571616343 /nfs/dbraw/zinc/61/63/43/571616343.db2.gz NYSLWRMDGUCEIA-URLMMPGGSA-N 0 0 555.729 7.625 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 ZINC000224784970 571616885 /nfs/dbraw/zinc/61/68/85/571616885.db2.gz HWNPSDSKDWVIFU-CZNDPXEESA-N 0 0 599.741 8.262 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 ZINC000224784928 571616892 /nfs/dbraw/zinc/61/68/92/571616892.db2.gz HWNPSDSKDWVIFU-JHOUSYSJSA-N 0 0 599.741 8.262 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3ccccn3)cc2)cc1 ZINC000224785186 571616895 /nfs/dbraw/zinc/61/68/95/571616895.db2.gz YKNIAFXBBINVAI-FQLXRVMXSA-N 0 0 564.696 6.563 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224786132 571617003 /nfs/dbraw/zinc/61/70/03/571617003.db2.gz QEISKDDGZXMSOJ-URLMMPGGSA-N 0 0 585.110 8.232 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 ZINC000224787807 571617152 /nfs/dbraw/zinc/61/71/52/571617152.db2.gz KQJVKRRBSKDQGQ-VMPREFPWSA-N 0 0 619.555 8.885 40 5 KKBBRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224788330 571617213 /nfs/dbraw/zinc/61/72/13/571617213.db2.gz PHTYVGMLGYKRIX-KYJUHHDHSA-N 0 0 599.137 8.540 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 ZINC000224790876 571617413 /nfs/dbraw/zinc/61/74/13/571617413.db2.gz FGKFHRGQXPCIRR-URLMMPGGSA-N 0 0 549.681 7.109 40 5 KKBBRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 ZINC000224793576 571617747 /nfs/dbraw/zinc/61/77/47/571617747.db2.gz LNKMRMBBAWCETI-XZWHSSHBSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224822587 571620419 /nfs/dbraw/zinc/62/04/19/571620419.db2.gz QORCNQRIJOVQCZ-HHHXNRCGSA-N 0 0 519.667 5.301 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)S(C)(=O)=O ZINC000224834461 571621644 /nfs/dbraw/zinc/62/16/44/571621644.db2.gz SQQCXDBFHTUGKI-UHFFFAOYSA-N 0 0 531.590 5.074 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224851609 571623150 /nfs/dbraw/zinc/62/31/50/571623150.db2.gz PHZPSZHSQJQVAZ-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224852633 571623300 /nfs/dbraw/zinc/62/33/00/571623300.db2.gz TUWFWNVXKHDUMG-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224852592 571623306 /nfs/dbraw/zinc/62/33/06/571623306.db2.gz TUWFWNVXKHDUMG-WJOKGBTCSA-N 0 0 649.169 5.608 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224854674 571623520 /nfs/dbraw/zinc/62/35/20/571623520.db2.gz SPFGFJDOHXCSCL-FTJBHMTQSA-N 0 0 532.578 5.453 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224854715 571623538 /nfs/dbraw/zinc/62/35/38/571623538.db2.gz SPFGFJDOHXCSCL-IZZNHLLZSA-N 0 0 532.578 5.453 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224855481 571623617 /nfs/dbraw/zinc/62/36/17/571623617.db2.gz CVTBZTFOKMWHJU-DHUJRADRSA-N 0 0 733.287 6.768 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224857727 571623842 /nfs/dbraw/zinc/62/38/42/571623842.db2.gz ASZOGYYFRPBSDE-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224884317 571626522 /nfs/dbraw/zinc/62/65/22/571626522.db2.gz UZVJGQDTODCLAQ-DNQXCXABSA-N 0 0 522.970 5.795 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 ZINC000224913571 571629280 /nfs/dbraw/zinc/62/92/80/571629280.db2.gz XJMYCDIRZPXPPP-LOSJGSFVSA-N 0 0 504.543 5.883 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224926460 571630681 /nfs/dbraw/zinc/63/06/81/571630681.db2.gz GVVZEUBEJYSQGS-DHUJRADRSA-N 0 0 719.260 6.459 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224927182 571630802 /nfs/dbraw/zinc/63/08/02/571630802.db2.gz ZBDHIBSBASNONT-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224938476 571631986 /nfs/dbraw/zinc/63/19/86/571631986.db2.gz IYFXUDAHRBQKNT-UHFFFAOYSA-N 0 0 551.024 5.453 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224938868 571632023 /nfs/dbraw/zinc/63/20/23/571632023.db2.gz WQOOAMYLBSWKHT-UHFFFAOYSA-N 0 0 536.009 5.719 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br ZINC000224946637 571632739 /nfs/dbraw/zinc/63/27/39/571632739.db2.gz LZDZFPGZPIRBQN-RPWUZVMVSA-N 0 0 535.423 6.498 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224965949 571634655 /nfs/dbraw/zinc/63/46/55/571634655.db2.gz FBCRPFQGPCSBDM-NDEPHWFRSA-N 0 0 549.668 5.666 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224972858 571635279 /nfs/dbraw/zinc/63/52/79/571635279.db2.gz NKJPTVZBHFKFIF-JWQCQUIFSA-N 0 0 536.997 6.098 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224975624 571635540 /nfs/dbraw/zinc/63/55/40/571635540.db2.gz ZJKZDUSKNUSGGS-ZEQRLZLVSA-N 0 0 506.971 6.089 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224975697 571635542 /nfs/dbraw/zinc/63/55/42/571635542.db2.gz ZJKZDUSKNUSGGS-BJKOFHAPSA-N 0 0 506.971 6.089 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000224998444 571637811 /nfs/dbraw/zinc/63/78/11/571637811.db2.gz BSCXZPTVTNUSQC-URLMMPGGSA-N 0 0 574.106 7.317 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000224998366 571637819 /nfs/dbraw/zinc/63/78/19/571637819.db2.gz BSCXZPTVTNUSQC-VMPREFPWSA-N 0 0 574.106 7.317 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225037231 571641086 /nfs/dbraw/zinc/64/10/86/571641086.db2.gz CMRKELSHYHJCQY-SANMLTNESA-N 0 0 574.530 6.300 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225038171 571641109 /nfs/dbraw/zinc/64/11/09/571641109.db2.gz OGBNWHDSBNBEEJ-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225049619 571642193 /nfs/dbraw/zinc/64/21/93/571642193.db2.gz WIPZYJXJNOPRHM-HKBQPEDESA-N 0 0 650.798 5.672 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225052834 571642373 /nfs/dbraw/zinc/64/23/73/571642373.db2.gz NMVLPFAULILNSO-MHZLTWQESA-N 0 0 600.499 5.988 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225052751 571642391 /nfs/dbraw/zinc/64/23/91/571642391.db2.gz WBMDLZMPUFRLMG-LJAQVGFWSA-N 0 0 685.243 6.325 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225064339 571643451 /nfs/dbraw/zinc/64/34/51/571643451.db2.gz TVPJZPJTTBBSQG-VWLOTQADSA-N 0 0 528.436 5.609 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225071099 571644059 /nfs/dbraw/zinc/64/40/59/571644059.db2.gz UEJDPCQSDBYGJU-LJAQVGFWSA-N 0 0 661.608 5.675 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225072977 571644269 /nfs/dbraw/zinc/64/42/69/571644269.db2.gz NGUKRXXNVXKCTB-SSEXGKCCSA-N 0 0 606.745 5.355 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225081943 571645483 /nfs/dbraw/zinc/64/54/83/571645483.db2.gz WXJAZGKINAOSLG-NDEPHWFRSA-N 0 0 600.568 6.834 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225082567 571645498 /nfs/dbraw/zinc/64/54/98/571645498.db2.gz IBCFPVKWUNZMQK-HHHXNRCGSA-N 0 0 554.474 6.143 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225084021 571645677 /nfs/dbraw/zinc/64/56/77/571645677.db2.gz MUWGQBLJKOCYLB-LJAQVGFWSA-N 0 0 685.243 6.325 40 5 KKBBRN 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/nfs/dbraw/zinc/75/34/19/571753419.db2.gz BKWPMPMEYXGBPA-XIFFEERXSA-N 0 0 741.694 6.970 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225392361 571761338 /nfs/dbraw/zinc/76/13/38/571761338.db2.gz LQOSYLHCLBHDLN-GDLZYMKVSA-N 0 0 563.695 6.056 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260865835 571766920 /nfs/dbraw/zinc/76/69/20/571766920.db2.gz AIIKJRLLUNQNSD-PMACEKPBSA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260866458 571768570 /nfs/dbraw/zinc/76/85/70/571768570.db2.gz JKZCCVAOJUQBQC-JGCGQSQUSA-N 0 0 711.212 6.064 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260871852 571774397 /nfs/dbraw/zinc/77/43/97/571774397.db2.gz KONWDBOOSYMJNX-HXUWFJFHSA-N 0 0 651.569 5.356 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260875270 571779890 /nfs/dbraw/zinc/77/98/90/571779890.db2.gz ATNMPQNEMRZZRD-PSXMRANNSA-N 0 0 777.738 6.959 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225418174 571785287 /nfs/dbraw/zinc/78/52/87/571785287.db2.gz FQALUSBGUQBXKI-MGBGTMOVSA-N 0 0 741.694 6.970 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225420421 571787788 /nfs/dbraw/zinc/78/77/88/571787788.db2.gz MBVAOJVAQYGGKE-UMSFTDKQSA-N 0 0 733.685 6.642 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260894431 571811295 /nfs/dbraw/zinc/81/12/95/571811295.db2.gz GLEUQFXKNZRLSG-PGUFJCEWSA-N 0 0 767.732 7.503 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225449562 571821800 /nfs/dbraw/zinc/82/18/00/571821800.db2.gz KCXLGFCQSXWAHB-DHUJRADRSA-N 0 0 812.183 7.612 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225457794 571829574 /nfs/dbraw/zinc/82/95/74/571829574.db2.gz CKHNDDZLJTWXFX-AREMUKBSSA-N 0 0 554.043 5.192 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225469726 571840605 /nfs/dbraw/zinc/84/06/05/571840605.db2.gz SHYUBKBRGBWUJN-LJAQVGFWSA-N 0 0 661.608 5.757 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 ZINC000260919557 571853642 /nfs/dbraw/zinc/85/36/42/571853642.db2.gz MGMKJOBUQKZAJZ-NELHGCTQSA-N 0 0 588.133 7.563 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260924459 571862757 /nfs/dbraw/zinc/86/27/57/571862757.db2.gz ABHPFZRBMJAKMV-MGBGTMOVSA-N 0 0 719.658 6.252 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260924481 571862815 /nfs/dbraw/zinc/86/28/15/571862815.db2.gz ACISQQBVBYMFKJ-UUWRZZSWSA-N 0 0 719.260 6.459 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C[C@H]3CCCO3)cc2)cc1 ZINC000260925581 571865247 /nfs/dbraw/zinc/86/52/47/571865247.db2.gz VRPBBOVLQJBATP-OFEZKSIWSA-N 0 0 557.701 6.299 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260936499 571887848 /nfs/dbraw/zinc/88/78/48/571887848.db2.gz YSXAZUSTHHRPQY-OAQYLSRUSA-N 0 0 665.596 5.603 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260938940 571892364 /nfs/dbraw/zinc/89/23/64/571892364.db2.gz ILDGZJKSBCHJGV-HOFKKMOUSA-N 0 0 659.205 5.791 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260943714 571901914 /nfs/dbraw/zinc/90/19/14/571901914.db2.gz DGMOFMCLWAAXSI-OAQYLSRUSA-N 0 0 661.152 5.376 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260946074 571905755 /nfs/dbraw/zinc/90/57/55/571905755.db2.gz JHXZRGNBBADFAF-DFHRPNOPSA-N 0 0 645.178 5.483 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225544844 571909029 /nfs/dbraw/zinc/90/90/29/571909029.db2.gz YBDUMSSYRFBSBI-FQEVSTJZSA-N 0 0 651.569 5.356 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260950203 571911853 /nfs/dbraw/zinc/91/18/53/571911853.db2.gz UVVLQNMNOKKYPZ-SSEXGKCCSA-N 0 0 675.635 6.065 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225551631 571914577 /nfs/dbraw/zinc/91/45/77/571914577.db2.gz CGMIVQQCGUMVJC-UUWRZZSWSA-N 0 0 751.700 6.426 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260952322 571916920 /nfs/dbraw/zinc/91/69/20/571916920.db2.gz KBJLIHYRIHYFLU-LVXARBLLSA-N 0 0 679.623 6.136 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225556368 571918292 /nfs/dbraw/zinc/91/82/92/571918292.db2.gz HNOVCIIFCOQVOE-WUFINQPMSA-N 0 0 540.649 5.344 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260959552 571929044 /nfs/dbraw/zinc/92/90/44/571929044.db2.gz GUNVCARHAXIZHS-UUWRZZSWSA-N 0 0 798.156 7.222 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225570074 571931902 /nfs/dbraw/zinc/93/19/02/571931902.db2.gz ZFVGJQDRLFBEMN-WNCULLNHSA-N 0 0 659.205 5.791 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260964519 571937705 /nfs/dbraw/zinc/93/77/05/571937705.db2.gz ZZUDWPIQLSYVAY-MGBGTMOVSA-N 0 0 786.145 6.935 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225579353 571938853 /nfs/dbraw/zinc/93/88/53/571938853.db2.gz LVJLNCGDFYQGGT-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260967144 571940196 /nfs/dbraw/zinc/94/01/96/571940196.db2.gz LVHLXMHTFRZMPK-SFTDATJTSA-N 0 0 665.596 5.746 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260970789 571943031 /nfs/dbraw/zinc/94/30/31/571943031.db2.gz IYVKHDDMHBNMHA-PGUFJCEWSA-N 0 0 719.260 6.459 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225593198 571948803 /nfs/dbraw/zinc/94/88/03/571948803.db2.gz WKCCTJJZDRGQGM-YTTGMZPUSA-N 0 0 697.641 6.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260976468 571949694 /nfs/dbraw/zinc/94/96/94/571949694.db2.gz APXMWRPEKZANLC-WJVKJDHCSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260977170 571950819 /nfs/dbraw/zinc/95/08/19/571950819.db2.gz NKHQWEKVTMQLHU-AMGIVPHBSA-N 0 0 675.204 5.491 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225600262 571954430 /nfs/dbraw/zinc/95/44/30/571954430.db2.gz WTGLFRSUBUPOEQ-MHZLTWQESA-N 0 0 635.570 5.224 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260984628 571959483 /nfs/dbraw/zinc/95/94/83/571959483.db2.gz BNZOVVIGMPCDSZ-JQJBXXCASA-N 0 0 786.145 7.078 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260986231 571962342 /nfs/dbraw/zinc/96/23/42/571962342.db2.gz BVXUPMDGCDSJRO-SFRLIIPVSA-N 0 0 707.249 6.315 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225613430 571965179 /nfs/dbraw/zinc/96/51/79/571965179.db2.gz LIVNIQVHZYZCKW-MHZLTWQESA-N 0 0 588.557 6.691 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260991322 571970523 /nfs/dbraw/zinc/97/05/23/571970523.db2.gz PZOVDFYASXABTO-KCWPFWIISA-N 0 0 659.205 5.791 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 ZINC000225621250 571971979 /nfs/dbraw/zinc/97/19/79/571971979.db2.gz DCEYONQXUZJBQB-SVBPBHIXSA-N 0 0 561.595 5.399 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225623493 571974569 /nfs/dbraw/zinc/97/45/69/571974569.db2.gz XRQGJMOSIOLDAA-HHHXNRCGSA-N 0 0 635.570 5.224 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260996112 571979232 /nfs/dbraw/zinc/97/92/32/571979232.db2.gz DKECHGWHAQCHGM-JKFCTSDTSA-N 0 0 690.794 5.801 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260998319 571983743 /nfs/dbraw/zinc/98/37/43/571983743.db2.gz PDYFKXFPRFSEIJ-MGBGTMOVSA-N 0 0 658.752 5.628 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225635664 571987381 /nfs/dbraw/zinc/98/73/81/571987381.db2.gz PISARYVYZUXWTO-IZLXSDGUSA-N 0 0 540.649 5.399 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225636694 571988353 /nfs/dbraw/zinc/98/83/53/571988353.db2.gz HCYLETQTWGVIML-NDEPHWFRSA-N 0 0 549.693 5.393 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225639940 571991045 /nfs/dbraw/zinc/99/10/45/571991045.db2.gz CLGYYKWFWSDEAE-WUFINQPMSA-N 0 0 541.633 5.868 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225640016 571991175 /nfs/dbraw/zinc/99/11/75/571991175.db2.gz XGPDMGUNLKPOGQ-IZLXSDGUSA-N 0 0 541.633 5.868 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225654754 572001969 /nfs/dbraw/zinc/00/19/69/572001969.db2.gz UKCVRSQBUDPSBQ-RRPNLBNLSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 ZINC000225656516 572003711 /nfs/dbraw/zinc/00/37/11/572003711.db2.gz FWWGZTHMXXIBGV-VSGBNLITSA-N 0 0 557.632 5.568 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261014405 572010944 /nfs/dbraw/zinc/01/09/44/572010944.db2.gz HHVRDXRHNWZHCS-IANOAQMISA-N 0 0 776.139 7.622 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225670071 572011600 /nfs/dbraw/zinc/01/16/00/572011600.db2.gz JRGXRKUYDPIZGX-AOMKIAJQSA-N 0 0 526.486 5.857 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225673695 572014513 /nfs/dbraw/zinc/01/45/13/572014513.db2.gz HDOFYYSAPKOVLG-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225674908 572015243 /nfs/dbraw/zinc/01/52/43/572015243.db2.gz BBIHSPNOPFMDCM-SXOMAYOGSA-N 0 0 543.605 5.260 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261018109 572018240 /nfs/dbraw/zinc/01/82/40/572018240.db2.gz VBZFMGHUVIHZQR-UUWRZZSWSA-N 0 0 654.789 5.797 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225685199 572021631 /nfs/dbraw/zinc/02/16/31/572021631.db2.gz WUNZRCUTRPRJNJ-NRFANRHFSA-N 0 0 649.141 5.089 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225692601 572026828 /nfs/dbraw/zinc/02/68/28/572026828.db2.gz NGCAWLXAJAGXKB-SXOMAYOGSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225692781 572026922 /nfs/dbraw/zinc/02/69/22/572026922.db2.gz FCHRRTDLRMNHOI-KAYWLYCHSA-N 0 0 526.622 5.090 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261028188 572028717 /nfs/dbraw/zinc/02/87/17/572028717.db2.gz WJXLGCQDGGPSBW-PGUFJCEWSA-N 0 0 753.705 7.113 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225700916 572031973 /nfs/dbraw/zinc/03/19/73/572031973.db2.gz LAPPBKFNQBEHPG-QFIPXVFZSA-N 0 0 675.602 5.059 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225701245 572032107 /nfs/dbraw/zinc/03/21/07/572032107.db2.gz MILFXVQFMBDGIB-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225702297 572033241 /nfs/dbraw/zinc/03/32/41/572033241.db2.gz ZTIKQQHQYXFSTI-NRFANRHFSA-N 0 0 710.047 5.713 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261036972 572040096 /nfs/dbraw/zinc/04/00/96/572040096.db2.gz YBAOQELAALHHNW-UXHICEINSA-N 0 0 700.041 6.399 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225710201 572040173 /nfs/dbraw/zinc/04/01/73/572040173.db2.gz FXCXDTHYFYPRMS-RUZDIDTESA-N 0 0 631.151 5.093 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000225710904 572040999 /nfs/dbraw/zinc/04/09/99/572040999.db2.gz XJQRAUCDRLLZQW-KYJUHHDHSA-N 0 0 562.655 5.935 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225728977 572050560 /nfs/dbraw/zinc/05/05/60/572050560.db2.gz JCQHXOSQJYJDTB-NFQMXDRXSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225731090 572052173 /nfs/dbraw/zinc/05/21/73/572052173.db2.gz ROIMBWORBLGLCM-SANMLTNESA-N 0 0 645.178 5.401 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225731123 572052280 /nfs/dbraw/zinc/05/22/80/572052280.db2.gz ROIMBWORBLGLCM-AREMUKBSSA-N 0 0 645.178 5.401 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261051225 572056171 /nfs/dbraw/zinc/05/61/71/572056171.db2.gz LZWVDLNYQPYGGB-GZGVDWRWSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225745201 572059154 /nfs/dbraw/zinc/05/91/54/572059154.db2.gz RQYIFKSFUHDRIB-QRWLVFNGSA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261058116 572060972 /nfs/dbraw/zinc/06/09/72/572060972.db2.gz NGHSDBMXKGUUJC-DCFHFQCYSA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261060387 572062575 /nfs/dbraw/zinc/06/25/75/572062575.db2.gz NRPWQTKGVXHFAT-WJVKJDHCSA-N 0 0 686.831 5.970 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225763447 572065603 /nfs/dbraw/zinc/06/56/03/572065603.db2.gz FSFYZBDSFICQQZ-XIFFEERXSA-N 0 0 642.778 5.511 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261069246 572068358 /nfs/dbraw/zinc/06/83/58/572068358.db2.gz PGMPUVSWDMBBNX-GZGVDWRWSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261069248 572068397 /nfs/dbraw/zinc/06/83/97/572068397.db2.gz PGMPUVSWDMBBNX-XDCSYDRFSA-N 0 0 741.694 6.969 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000261090268 572080699 /nfs/dbraw/zinc/08/06/99/572080699.db2.gz TXWJUXLZXYRSDG-MGBGTMOVSA-N 0 0 658.777 5.211 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261091321 572081553 /nfs/dbraw/zinc/08/15/53/572081553.db2.gz UDNHVUZHBPBTDG-PIKZIKFNSA-N 0 0 649.597 5.531 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261098155 572085757 /nfs/dbraw/zinc/08/57/57/572085757.db2.gz VKPHAQOMNVUKDL-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261103461 572090553 /nfs/dbraw/zinc/09/05/53/572090553.db2.gz WRRNZRGAQRDUCU-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261108934 572093386 /nfs/dbraw/zinc/09/33/86/572093386.db2.gz XJULNXOEOXEZHM-JKFCTSDTSA-N 0 0 737.275 6.324 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261110345 572094350 /nfs/dbraw/zinc/09/43/50/572094350.db2.gz XQSRSIOWOVRHBY-CMVGPNDKSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261125019 572102045 /nfs/dbraw/zinc/10/20/45/572102045.db2.gz ZSHZVZGYRJSWPD-UKJJDJLKSA-N 0 0 707.647 6.107 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 ZINC000226412309 572137751 /nfs/dbraw/zinc/13/77/51/572137751.db2.gz IBBQLBXXABFNKA-RHYIPFRBSA-N 0 0 558.974 6.099 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000299888678 572142172 /nfs/dbraw/zinc/14/21/72/572142172.db2.gz SZCBXWMUOPQSOX-GWZJRGQLSA-N 0 0 600.884 8.970 40 5 KKBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041372 572150086 /nfs/dbraw/zinc/15/00/86/572150086.db2.gz SJDMNDIIGGPRLX-GOSISDBHSA-N 0 0 511.888 5.776 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408526736 572158355 /nfs/dbraw/zinc/15/83/55/572158355.db2.gz ASTNCVSRQVLRBN-UUWRZZSWSA-N 0 0 618.715 7.378 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000408541225 572207777 /nfs/dbraw/zinc/20/77/77/572207777.db2.gz CCPAOODBKBPRNE-DJWKRKHSSA-N 0 0 514.210 6.543 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1F ZINC000408543600 572213236 /nfs/dbraw/zinc/21/32/36/572213236.db2.gz PDQFMVRELITKSD-FPLPWBNLSA-N 0 0 510.259 5.393 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408553517 572240607 /nfs/dbraw/zinc/24/06/07/572240607.db2.gz AERUKIZDDHVKKV-UHFFFAOYSA-N 0 0 547.349 5.228 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408553622 572241050 /nfs/dbraw/zinc/24/10/50/572241050.db2.gz APRJIPRLLVTVNB-QFIPXVFZSA-N 0 0 559.349 7.500 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556494 572243974 /nfs/dbraw/zinc/24/39/74/572243974.db2.gz IZTMCJODZOSDBM-UHFFFAOYSA-N 0 0 610.608 8.205 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408557052 572244415 /nfs/dbraw/zinc/24/44/15/572244415.db2.gz LWRCSJDOTSBVEM-UHFFFAOYSA-N 0 0 507.384 7.100 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556931 572244459 /nfs/dbraw/zinc/24/44/59/572244459.db2.gz KYOFKBPPKURPLU-QHCPKHFHSA-N 0 0 538.931 7.237 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408557148 572244746 /nfs/dbraw/zinc/24/47/46/572244746.db2.gz NDMHDXMAGPMSAY-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557562 572245185 /nfs/dbraw/zinc/24/51/85/572245185.db2.gz OQZYEFJSPBGORN-UHFFFAOYSA-N 0 0 535.294 5.307 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2F)c1 ZINC000408558535 572245879 /nfs/dbraw/zinc/24/58/79/572245879.db2.gz RQNZJXRUFNXLCH-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408562272 572248722 /nfs/dbraw/zinc/24/87/22/572248722.db2.gz ONXJASVPKUNBCO-GYHWCHFESA-N 0 0 504.406 5.609 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563840 572249842 /nfs/dbraw/zinc/24/98/42/572249842.db2.gz BDEIMUKMDCZMHZ-AWTIUKJOSA-N 0 0 568.855 5.736 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563948 572250155 /nfs/dbraw/zinc/25/01/55/572250155.db2.gz BSKBDHALUBVRIJ-UYDITSSVSA-N 0 0 631.321 5.711 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564461 572250408 /nfs/dbraw/zinc/25/04/08/572250408.db2.gz CZXSVYHGKARFFI-NUWWLQTNSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564675 572250666 /nfs/dbraw/zinc/25/06/66/572250666.db2.gz DNYQAEBHAAGYHV-CIHKJSBTSA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408564771 572250766 /nfs/dbraw/zinc/25/07/66/572250766.db2.gz ABUOTCNJTFLGAR-JOCHJYFZSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408564782 572251016 /nfs/dbraw/zinc/25/10/16/572251016.db2.gz AEVHHYFIKVEYTI-SANMLTNESA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408564828 572251024 /nfs/dbraw/zinc/25/10/24/572251024.db2.gz AMFXCFBLHBQJOX-XMMPIXPASA-N 0 0 666.367 7.328 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408564805 572251046 /nfs/dbraw/zinc/25/10/46/572251046.db2.gz AITXFGHPTKKTAB-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408564820 572251057 /nfs/dbraw/zinc/25/10/57/572251057.db2.gz AKSILUGBUKBMBF-HSZRJFAPSA-N 0 0 516.957 6.196 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408565012 572251544 /nfs/dbraw/zinc/25/15/44/572251544.db2.gz AYNGYOLZPLKEOI-VWLOTQADSA-N 0 0 617.497 6.574 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408565330 572252464 /nfs/dbraw/zinc/25/24/64/572252464.db2.gz BRDALUZSSUVUQZ-DEOSSOPVSA-N 0 0 555.454 6.036 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565399 572252565 /nfs/dbraw/zinc/25/25/65/572252565.db2.gz KHPWUVNCUSGBDS-AWTIUKJOSA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565449 572252569 /nfs/dbraw/zinc/25/25/69/572252569.db2.gz KTNWDKGOXZTCTO-SIJZCSJPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565423 572252689 /nfs/dbraw/zinc/25/26/89/572252689.db2.gz KQFOKNTZAAFJTR-NUWWLQTNSA-N 0 0 598.881 5.745 40 5 KKBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408565559 572252745 /nfs/dbraw/zinc/25/27/45/572252745.db2.gz CKMQMBBNAGWOEV-FQEVSTJZSA-N 0 0 521.437 5.472 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000408565647 572252876 /nfs/dbraw/zinc/25/28/76/572252876.db2.gz CQWCZOXVEWYRKC-DEOSSOPVSA-N 0 0 512.538 5.552 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565637 572252893 /nfs/dbraw/zinc/25/28/93/572252893.db2.gz LPZGZXVPPSYCID-CIHKJSBTSA-N 0 0 607.288 5.865 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1cccc(C)c1 ZINC000408565653 572252908 /nfs/dbraw/zinc/25/29/08/572252908.db2.gz CQZFIBLWBBJIFB-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408565594 572252948 /nfs/dbraw/zinc/25/29/48/572252948.db2.gz CLSDNCCKAQFOCM-VWLOTQADSA-N 0 0 569.481 6.426 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565709 572253017 /nfs/dbraw/zinc/25/30/17/572253017.db2.gz CWBXVXCUPILQRK-IBGZPJMESA-N 0 0 564.263 7.624 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408565728 572253020 /nfs/dbraw/zinc/25/30/20/572253020.db2.gz CXZGMWNMEPZRQI-HSZRJFAPSA-N 0 0 545.448 6.580 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565670 572253044 /nfs/dbraw/zinc/25/30/44/572253044.db2.gz LRFPMOMNMOKXBZ-ZNCVFPSASA-N 0 0 572.843 5.212 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565671 572253061 /nfs/dbraw/zinc/25/30/61/572253061.db2.gz LRILBXPHHMEHSC-KLPDMWAPSA-N 0 0 578.463 5.481 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408565889 572253166 /nfs/dbraw/zinc/25/31/66/572253166.db2.gz DDBARRSSYGBMLR-AREMUKBSSA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408565926 572253183 /nfs/dbraw/zinc/25/31/83/572253183.db2.gz DHDCPXGDHFKFFA-AREMUKBSSA-N 0 0 676.431 7.805 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565927 572253209 /nfs/dbraw/zinc/25/32/09/572253209.db2.gz MFCXFKLFQIDFSI-WQWSHVPRSA-N 0 0 577.262 5.857 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408565975 572253271 /nfs/dbraw/zinc/25/32/71/572253271.db2.gz DMABLOUMFWFQAS-RUZDIDTESA-N 0 0 573.502 7.279 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408565954 572253317 /nfs/dbraw/zinc/25/33/17/572253317.db2.gz DKQYELAYZXBHSZ-HSZRJFAPSA-N 0 0 591.434 6.314 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566313 572253528 /nfs/dbraw/zinc/25/35/28/572253528.db2.gz NLKAPGKJLVSADI-SIJZCSJPSA-N 0 0 647.353 6.788 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 ZINC000408566381 572253728 /nfs/dbraw/zinc/25/37/28/572253728.db2.gz FNKUHYRQGXDRIQ-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 ZINC000408566379 572253744 /nfs/dbraw/zinc/25/37/44/572253744.db2.gz FNKUHYRQGXDRIQ-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408566594 572253851 /nfs/dbraw/zinc/25/38/51/572253851.db2.gz FRAPYZNXWPQZBT-QHCPKHFHSA-N 0 0 525.974 5.826 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408566607 572253930 /nfs/dbraw/zinc/25/39/30/572253930.db2.gz FSIYXJVWJJXDJJ-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408566803 572254035 /nfs/dbraw/zinc/25/40/35/572254035.db2.gz GETKPMPZNPSWJL-SANMLTNESA-N 0 0 599.507 6.435 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000408567071 572254051 /nfs/dbraw/zinc/25/40/51/572254051.db2.gz GHGBGZAUQZIIJK-HHHXNRCGSA-N 0 0 603.528 7.369 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408566798 572254053 /nfs/dbraw/zinc/25/40/53/572254053.db2.gz GDRZGMJJWLQVQD-QFIPXVFZSA-N 0 0 533.412 6.711 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408567095 572254157 /nfs/dbraw/zinc/25/41/57/572254157.db2.gz PRACVQBCOJXTSN-JQHZVFBJSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567142 572254184 /nfs/dbraw/zinc/25/41/84/572254184.db2.gz GOZQTCAILDLRTH-FQEVSTJZSA-N 0 0 526.343 5.835 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 ZINC000408567145 572254189 /nfs/dbraw/zinc/25/41/89/572254189.db2.gz GPAJSEBRJYBQNE-AREMUKBSSA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408567153 572254195 /nfs/dbraw/zinc/25/41/95/572254195.db2.gz GQBPJFOOWMWVEE-DEOSSOPVSA-N 0 0 648.377 7.189 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408567151 572254206 /nfs/dbraw/zinc/25/42/06/572254206.db2.gz GPHUWRVKXXGELD-SANMLTNESA-N 0 0 613.534 6.743 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567186 572254300 /nfs/dbraw/zinc/25/43/00/572254300.db2.gz QFSSJCVREVNINJ-KLPDMWAPSA-N 0 0 647.353 6.788 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567710 572254410 /nfs/dbraw/zinc/25/44/10/572254410.db2.gz QZFQBPAENLKNNS-DNKZPPIMSA-N 0 0 542.419 5.493 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000408567611 572254448 /nfs/dbraw/zinc/25/44/48/572254448.db2.gz GYOLOGHDVTZERT-XMMPIXPASA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567838 572254544 /nfs/dbraw/zinc/25/45/44/572254544.db2.gz RWTQFOJXPRQGPQ-BYGVMDBSSA-N 0 0 570.415 5.088 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408568085 572254746 /nfs/dbraw/zinc/25/47/46/572254746.db2.gz HPJQKHAMEKDREA-AREMUKBSSA-N 0 0 666.425 8.350 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408568581 572255017 /nfs/dbraw/zinc/25/50/17/572255017.db2.gz IAXVISXNDAUONE-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408569130 572255421 /nfs/dbraw/zinc/25/54/21/572255421.db2.gz IXZAEHALMDNFDD-VWLOTQADSA-N 0 0 662.404 7.415 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408569068 572255426 /nfs/dbraw/zinc/25/54/26/572255426.db2.gz IPAHJTSBSVSYGY-XMMPIXPASA-N 0 0 521.555 5.182 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569135 572255487 /nfs/dbraw/zinc/25/54/87/572255487.db2.gz IYOCXXJHYIHKKV-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569369 572255562 /nfs/dbraw/zinc/25/55/62/572255562.db2.gz WAMXTKBVJLBQHR-AWTIUKJOSA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408569205 572255639 /nfs/dbraw/zinc/25/56/39/572255639.db2.gz JCKAWDOCHWLJGZ-DEOSSOPVSA-N 0 0 638.371 7.733 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569370 572255646 /nfs/dbraw/zinc/25/56/46/572255646.db2.gz WAMXTKBVJLBQHR-TUPPOGIXSA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408569502 572255707 /nfs/dbraw/zinc/25/57/07/572255707.db2.gz JILLXFHBCXORBY-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569425 572255718 /nfs/dbraw/zinc/25/57/18/572255718.db2.gz WSKZHHJKSHZXPQ-XFHDSQNASA-N 0 0 588.458 5.712 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569422 572255729 /nfs/dbraw/zinc/25/57/29/572255729.db2.gz WSKZHHJKSHZXPQ-JWCTUAFDSA-N 0 0 588.458 5.712 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(F)cc1 ZINC000408569510 572255767 /nfs/dbraw/zinc/25/57/67/572255767.db2.gz JJLTYIBFYOLCNC-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408569494 572255780 /nfs/dbraw/zinc/25/57/80/572255780.db2.gz JHUHYCKTELCKHB-VWLOTQADSA-N 0 0 557.047 6.683 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569659 572255912 /nfs/dbraw/zinc/25/59/12/572255912.db2.gz WVKBYHNPKMGJDP-IUUIHGGBSA-N 0 0 532.811 5.748 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569869 572256057 /nfs/dbraw/zinc/25/60/57/572256057.db2.gz KAKXZJPCZBBAMC-VWLOTQADSA-N 0 0 509.031 6.535 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000408569900 572256084 /nfs/dbraw/zinc/25/60/84/572256084.db2.gz KFBJXYCZXZPGQF-QHCPKHFHSA-N 0 0 559.873 6.681 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570062 572256121 /nfs/dbraw/zinc/25/61/21/572256121.db2.gz YHFWUZYGTHIHNX-ZVFGGPEJSA-N 0 0 657.359 6.244 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000408569965 572256191 /nfs/dbraw/zinc/25/61/91/572256191.db2.gz KJVMBJQTSGRWNS-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408569979 572256223 /nfs/dbraw/zinc/25/62/23/572256223.db2.gz KLXFHANEQSXKPK-XMMPIXPASA-N 0 0 543.476 7.188 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12[C@H](c1ccccc1[N+](=O)[O-])[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000248170723 572256306 /nfs/dbraw/zinc/25/63/06/572256306.db2.gz VSDLASVYIBIOBW-KKIVPZFCSA-N 0 0 535.604 5.744 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)c(Br)cc1OC ZINC000408570262 572256332 /nfs/dbraw/zinc/25/63/32/572256332.db2.gz KPOZNNVVMJDVQR-FQEVSTJZSA-N 0 0 507.410 5.164 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408570322 572256399 /nfs/dbraw/zinc/25/63/99/572256399.db2.gz KXBXEDYMJJDVHX-DEOSSOPVSA-N 0 0 540.001 6.135 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000408570582 572256536 /nfs/dbraw/zinc/25/65/36/572256536.db2.gz LLLSOFNIQXMJAP-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000408570585 572256548 /nfs/dbraw/zinc/25/65/48/572256548.db2.gz LLLSOFNIQXMJAP-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 ZINC000408570905 572256592 /nfs/dbraw/zinc/25/65/92/572256592.db2.gz MGRGJLLKBDUYAB-HHHXNRCGSA-N 0 0 518.639 6.280 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408570899 572256631 /nfs/dbraw/zinc/25/66/31/572256631.db2.gz MGLGPZUCQHFSLZ-HHHXNRCGSA-N 0 0 534.638 5.981 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408570719 572256652 /nfs/dbraw/zinc/25/66/52/572256652.db2.gz LZHOCEGAGOHEQY-HSZRJFAPSA-N 0 0 658.789 7.996 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000408571034 572256703 /nfs/dbraw/zinc/25/67/03/572256703.db2.gz MYDHASTYYUJTGE-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000408571010 572256719 /nfs/dbraw/zinc/25/67/19/572256719.db2.gz MSSPYMVDIJLEJG-AREMUKBSSA-N 0 0 647.979 7.478 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408571122 572256814 /nfs/dbraw/zinc/25/68/14/572256814.db2.gz NRSOLFWXKUYLSL-AREMUKBSSA-N 0 0 647.979 7.478 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000408571359 572257030 /nfs/dbraw/zinc/25/70/30/572257030.db2.gz OMPQYCSVCNKKKH-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571575 572257129 /nfs/dbraw/zinc/25/71/29/572257129.db2.gz PCEXHCFBGJEQNF-QHCPKHFHSA-N 0 0 584.312 7.878 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571536 572257198 /nfs/dbraw/zinc/25/71/98/572257198.db2.gz OWDJCTQJJBKZCU-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1cccc(C)c1 ZINC000408571620 572257227 /nfs/dbraw/zinc/25/72/27/572257227.db2.gz PGLMNGNPTUAHJK-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571840 572257384 /nfs/dbraw/zinc/25/73/84/572257384.db2.gz PRVUECSQGUOHLY-DEOSSOPVSA-N 0 0 540.001 6.135 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C)c1 ZINC000408571997 572257445 /nfs/dbraw/zinc/25/74/45/572257445.db2.gz QGDJAJZFVOSQPU-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408572083 572257561 /nfs/dbraw/zinc/25/75/61/572257561.db2.gz QOLBIIMBBVXUMQ-QHCPKHFHSA-N 0 0 561.408 6.306 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000408572145 572257586 /nfs/dbraw/zinc/25/75/86/572257586.db2.gz QRUYJNIQBBAYBK-HSZRJFAPSA-N 0 0 589.899 6.689 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408572391 572257752 /nfs/dbraw/zinc/25/77/52/572257752.db2.gz RAHZZQXZGJYXNK-DEOSSOPVSA-N 0 0 603.926 7.079 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408572327 572257757 /nfs/dbraw/zinc/25/77/57/572257757.db2.gz QXBDHHWXKPDABP-VWLOTQADSA-N 0 0 524.574 5.421 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408572397 572257782 /nfs/dbraw/zinc/25/77/82/572257782.db2.gz RAICCAWMZVKOKN-XMMPIXPASA-N 0 0 648.377 7.107 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1cccc(C)c1 ZINC000408572441 572257821 /nfs/dbraw/zinc/25/78/21/572257821.db2.gz REEACILWSGQUTE-MUUNZHRXSA-N 0 0 589.515 7.489 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408572492 572257935 /nfs/dbraw/zinc/25/79/35/572257935.db2.gz RIFUBUCMJFENMI-XMMPIXPASA-N 0 0 570.027 6.143 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572559 572257949 /nfs/dbraw/zinc/25/79/49/572257949.db2.gz KAEBDOXYXZFECJ-UHFFFAOYSA-N 0 0 518.353 5.301 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F ZINC000408572766 572258137 /nfs/dbraw/zinc/25/81/37/572258137.db2.gz RZPFLHNQCJWOIU-RUZDIDTESA-N 0 0 617.497 6.574 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408573009 572258510 /nfs/dbraw/zinc/25/85/10/572258510.db2.gz SDSANKNDQGDHAO-RUZDIDTESA-N 0 0 527.021 6.674 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F ZINC000408573084 572258630 /nfs/dbraw/zinc/25/86/30/572258630.db2.gz SLJGQUBXSUAQGR-MHZLTWQESA-N 0 0 536.629 6.419 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408573092 572258653 /nfs/dbraw/zinc/25/86/53/572258653.db2.gz SLLVNYPBKKPCFO-QHCPKHFHSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408573418 572258791 /nfs/dbraw/zinc/25/87/91/572258791.db2.gz SSAYHDKNDKMWDW-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 ZINC000408573543 572258915 /nfs/dbraw/zinc/25/89/15/572258915.db2.gz TUPGUDVNGLOISD-SANMLTNESA-N 0 0 522.602 6.029 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408574005 572259289 /nfs/dbraw/zinc/25/92/89/572259289.db2.gz UJKVFJHGWHCKDJ-DEOSSOPVSA-N 0 0 569.481 6.344 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000408574463 572259616 /nfs/dbraw/zinc/25/96/16/572259616.db2.gz UVYIURZWTBKERG-DEOSSOPVSA-N 0 0 586.026 5.844 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408574491 572259780 /nfs/dbraw/zinc/25/97/80/572259780.db2.gz UYGOWJJWFBUAKV-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408574479 572259789 /nfs/dbraw/zinc/25/97/89/572259789.db2.gz UXLNNZSYGDXTJJ-QHCPKHFHSA-N 0 0 642.334 7.482 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000408575044 572260080 /nfs/dbraw/zinc/26/00/80/572260080.db2.gz VRMFVHKYJYJVBV-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408575001 572260090 /nfs/dbraw/zinc/26/00/90/572260090.db2.gz VIMGWZCFWKBBPW-DEOSSOPVSA-N 0 0 561.010 6.595 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408575004 572260130 /nfs/dbraw/zinc/26/01/30/572260130.db2.gz VJFHMIXNNBUKOB-PMERELPUSA-N 0 0 554.672 7.125 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000408575416 572260521 /nfs/dbraw/zinc/26/05/21/572260521.db2.gz WESYZTPUIPMOTO-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000408575545 572260598 /nfs/dbraw/zinc/26/05/98/572260598.db2.gz WMIDCGDUOGTNSZ-DEOSSOPVSA-N 0 0 587.471 6.565 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408576015 572260953 /nfs/dbraw/zinc/26/09/53/572260953.db2.gz XEGYNBJYRLVTJO-DEOSSOPVSA-N 0 0 559.475 6.889 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000408576042 572260983 /nfs/dbraw/zinc/26/09/83/572260983.db2.gz XGJJHGQKNAACKC-AREMUKBSSA-N 0 0 504.612 5.890 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408576248 572261127 /nfs/dbraw/zinc/26/11/27/572261127.db2.gz WMHHRVPESFYPIX-VMPITWQZSA-N 0 0 544.391 5.700 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408576232 572261183 /nfs/dbraw/zinc/26/11/83/572261183.db2.gz WGQXLTAHSJTODQ-UHFFFAOYSA-N 0 0 518.353 5.301 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408576728 572261421 /nfs/dbraw/zinc/26/14/21/572261421.db2.gz YFBWPTQAZJOAIN-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCC)cc1 ZINC000408576987 572261658 /nfs/dbraw/zinc/26/16/58/572261658.db2.gz YGXCIPAAETZSCM-HXUWFJFHSA-N 0 0 507.410 5.246 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408577038 572261667 /nfs/dbraw/zinc/26/16/67/572261667.db2.gz ZNJQWKKPPUEUKK-FMIVXFBMSA-N 0 0 554.397 5.156 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577164 572261784 /nfs/dbraw/zinc/26/17/84/572261784.db2.gz YPZMGOCDYPWVBM-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408577297 572261840 /nfs/dbraw/zinc/26/18/40/572261840.db2.gz YZMIDGAIIPHIEF-DEOSSOPVSA-N 0 0 512.538 5.552 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408577277 572261901 /nfs/dbraw/zinc/26/19/01/572261901.db2.gz YXTWMEGNALFBNW-VWLOTQADSA-N 0 0 622.372 7.951 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC ZINC000408577407 572261991 /nfs/dbraw/zinc/26/19/91/572261991.db2.gz ZHVDKMYELCHICB-LJQANCHMSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408577419 572262000 /nfs/dbraw/zinc/26/20/00/572262000.db2.gz ZJJQPXZFNGNBAL-VWLOTQADSA-N 0 0 569.481 6.426 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000408577463 572262071 /nfs/dbraw/zinc/26/20/71/572262071.db2.gz ZOZORXBSPNTKSF-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408577552 572262174 /nfs/dbraw/zinc/26/21/74/572262174.db2.gz ZSCAVQHOMDWYIN-SANMLTNESA-N 0 0 573.502 7.197 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408577785 572262404 /nfs/dbraw/zinc/26/24/04/572262404.db2.gz ZWKFLRKRHUMUHC-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408577796 572262412 /nfs/dbraw/zinc/26/24/12/572262412.db2.gz ZXPIJWQWWHNXEF-WJOKGBTCSA-N 0 0 568.699 7.434 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577810 572262450 /nfs/dbraw/zinc/26/24/50/572262450.db2.gz ZZJMISLAGVTWCC-VWLOTQADSA-N 0 0 628.505 6.561 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408581297 572264416 /nfs/dbraw/zinc/26/44/16/572264416.db2.gz WBJMKTBKXFNIGE-UHFFFAOYSA-N 0 0 558.827 5.706 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000408585115 572265997 /nfs/dbraw/zinc/26/59/97/572265997.db2.gz AIZGWWBNNNZRBZ-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408604905 572274174 /nfs/dbraw/zinc/27/41/74/572274174.db2.gz FTBSIPXREVJAML-UHFFFAOYSA-N 0 0 535.733 8.377 40 5 KKBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)c1[N+](=O)[O-] ZINC000408605015 572274233 /nfs/dbraw/zinc/27/42/33/572274233.db2.gz KGZVMFGYODOYPM-NTCAYCPXSA-N 0 0 512.522 5.640 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408608052 572275437 /nfs/dbraw/zinc/27/54/37/572275437.db2.gz MJMGFEOICZXTRI-UHFFFAOYSA-N 0 0 566.157 8.096 40 5 KKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408609013 572275665 /nfs/dbraw/zinc/27/56/65/572275665.db2.gz NKJNAJUSWBIFLS-UHFFFAOYSA-N 0 0 549.702 7.582 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 ZINC000408611609 572276638 /nfs/dbraw/zinc/27/66/38/572276638.db2.gz UJCJGAUAFWHRCI-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408619140 572280493 /nfs/dbraw/zinc/28/04/93/572280493.db2.gz MJYMGTDPKOQRQA-UHFFFAOYSA-N 0 0 547.589 5.538 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408623751 572282775 /nfs/dbraw/zinc/28/27/75/572282775.db2.gz YWBRICYSGULBLX-UHFFFAOYSA-N 0 0 549.992 5.313 40 5 KKBBRN CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000408626927 572284261 /nfs/dbraw/zinc/28/42/61/572284261.db2.gz YHTOKUWIJNWJPR-UHFFFAOYSA-N 0 0 572.643 5.874 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408637225 572294186 /nfs/dbraw/zinc/29/41/86/572294186.db2.gz HUUJBFWOYUDAHU-HXUWFJFHSA-N 0 0 516.550 5.464 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C ZINC000408637440 572294400 /nfs/dbraw/zinc/29/44/00/572294400.db2.gz KNGYHCQBZAKULY-VWLOTQADSA-N 0 0 608.603 6.002 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408637603 572294543 /nfs/dbraw/zinc/29/45/43/572294543.db2.gz AQPQEKGRUISSSR-UHFFFAOYSA-N 0 0 590.375 6.230 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638211 572294975 /nfs/dbraw/zinc/29/49/75/572294975.db2.gz PRMCYJOGRATKHV-SANMLTNESA-N 0 0 630.609 6.539 40 5 KKBBRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408639043 572295527 /nfs/dbraw/zinc/29/55/27/572295527.db2.gz DZCYIGBXYARHJV-LLVKDONJSA-N 0 0 789.025 6.578 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408639348 572295785 /nfs/dbraw/zinc/29/57/85/572295785.db2.gz FPHGDYFNMMGBGY-VEYWIMSWSA-N 0 0 638.460 5.782 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408640495 572296497 /nfs/dbraw/zinc/29/64/97/572296497.db2.gz IFQMHRQIHASAMW-HGMMTPDKSA-N 0 0 638.460 5.782 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408640939 572296731 /nfs/dbraw/zinc/29/67/31/572296731.db2.gz BQVQNDPVXWZFIT-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408641060 572296792 /nfs/dbraw/zinc/29/67/92/572296792.db2.gz JJPRDJJWFLWDJU-UHFFFAOYSA-N 0 0 663.382 5.565 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000408641979 572297330 /nfs/dbraw/zinc/29/73/30/572297330.db2.gz LSEWOGBAEIBKDG-UHFFFAOYSA-N 0 0 668.467 5.514 40 5 KKBBRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 ZINC000408641957 572297352 /nfs/dbraw/zinc/29/73/52/572297352.db2.gz DMGBPOOKKGLFKJ-XMMPIXPASA-N 0 0 578.621 6.492 40 5 KKBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408642440 572297666 /nfs/dbraw/zinc/29/76/66/572297666.db2.gz DVWIFYULOBDHRX-ADCSMLMYSA-N 0 0 573.989 5.478 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408642336 572297699 /nfs/dbraw/zinc/29/76/99/572297699.db2.gz MWCLSTHMPSRGPP-GOTSBHOMSA-N 0 0 561.978 5.456 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)CC1=O ZINC000408642406 572297701 /nfs/dbraw/zinc/29/77/01/572297701.db2.gz OPOPYYYAKCPLLG-IBGZPJMESA-N 0 0 503.555 5.819 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408642641 572297855 /nfs/dbraw/zinc/29/78/55/572297855.db2.gz NMPCXNCAOZAGCW-MQVPCNEGSA-N 0 0 604.015 5.129 40 5 KKBBRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408643124 572298085 /nfs/dbraw/zinc/29/80/85/572298085.db2.gz FOISESVTXRBDTF-XMMPIXPASA-N 0 0 578.621 6.492 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408643979 572298398 /nfs/dbraw/zinc/29/83/98/572298398.db2.gz QKTLZMJJRIIWIG-ILBGXUMGSA-N 0 0 636.444 5.702 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408643987 572298488 /nfs/dbraw/zinc/29/84/88/572298488.db2.gz QKTLZMJJRIIWIG-UKILVPOCSA-N 0 0 636.444 5.702 40 5 KKBBRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000408644696 572298800 /nfs/dbraw/zinc/29/88/00/572298800.db2.gz IAMPACZZVTYQID-UHFFFAOYSA-N 0 0 505.527 5.295 40 5 KKBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408644970 572298973 /nfs/dbraw/zinc/29/89/73/572298973.db2.gz SAHLMCQKTRZBBH-NSHDSACASA-N 0 0 611.221 6.142 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1[N+](=O)[O-] ZINC000408645262 572299117 /nfs/dbraw/zinc/29/91/17/572299117.db2.gz JNRFZHCAQSZPJS-UHFFFAOYSA-N 0 0 525.945 5.640 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408645677 572299340 /nfs/dbraw/zinc/29/93/40/572299340.db2.gz AIMXXGVCXYCVFE-ZHKRYAAZSA-N 0 0 608.478 5.696 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408647916 572300737 /nfs/dbraw/zinc/30/07/37/572300737.db2.gz WAVRQTSMSKXSPJ-DNQXCXABSA-N 0 0 608.434 6.275 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000408648783 572301393 /nfs/dbraw/zinc/30/13/93/572301393.db2.gz ZPHVIMYOAHXXPW-UHFFFAOYSA-N 0 0 543.985 5.309 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Br)cc1 ZINC000408650211 572302416 /nfs/dbraw/zinc/30/24/16/572302416.db2.gz LYAMDYXKMBUVRJ-RAWLKHAVSA-N 0 0 636.458 5.490 40 5 KKBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408650671 572302813 /nfs/dbraw/zinc/30/28/13/572302813.db2.gz MQEDYYLVNUPDOP-XMNXRXSASA-N 0 0 585.616 5.506 40 5 KKBBRN CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652890 572304089 /nfs/dbraw/zinc/30/40/89/572304089.db2.gz IMLHVTLKOFHXMM-CGHKXIPFSA-N 0 0 613.881 5.909 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)c1 ZINC000408653747 572304733 /nfs/dbraw/zinc/30/47/33/572304733.db2.gz FPYQDKIQVOKVCY-OAQYLSRUSA-N 0 0 545.592 5.662 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408654443 572305073 /nfs/dbraw/zinc/30/50/73/572305073.db2.gz QMHFMMAVKWZHLY-DZUWIXTPSA-N 0 0 684.104 7.173 40 5 KKBBRN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000256072765 572305409 /nfs/dbraw/zinc/30/54/09/572305409.db2.gz LIKGQASPYMHUMB-ZOSJXDHSSA-N 0 0 513.675 8.362 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408656464 572306110 /nfs/dbraw/zinc/30/61/10/572306110.db2.gz SODDMMARODULDE-JWQCQUIFSA-N 0 0 561.978 5.456 40 5 KKBBRN CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656981 572306480 /nfs/dbraw/zinc/30/64/80/572306480.db2.gz MQNSOQLHNQOXHI-GNBTXOOPSA-N 0 0 579.436 5.256 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408658028 572306957 /nfs/dbraw/zinc/30/69/57/572306957.db2.gz UPIYXLXELSIWGJ-DHIUTWEWSA-N 0 0 622.417 5.312 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408660528 572308467 /nfs/dbraw/zinc/30/84/67/572308467.db2.gz QGYHWQITVCUHST-NTDMNLGMSA-N 0 0 599.426 6.049 40 5 KKBBRN O=C(Oc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408661890 572309340 /nfs/dbraw/zinc/30/93/40/572309340.db2.gz MDBJYNIFTGWWTP-NSHDSACASA-N 0 0 609.205 5.968 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408662371 572309520 /nfs/dbraw/zinc/30/95/20/572309520.db2.gz XYGLGLRYRANPDZ-DHIUTWEWSA-N 0 0 596.423 6.109 40 5 KKBBRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408664600 572310944 /nfs/dbraw/zinc/31/09/44/572310944.db2.gz SUSKJUKQJPDASN-GJLUAVECSA-N 0 0 626.496 6.046 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] ZINC000408666241 572311880 /nfs/dbraw/zinc/31/18/80/572311880.db2.gz GWACUJJVAYERLP-UHFFFAOYSA-N 0 0 546.363 5.903 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 ZINC000408666669 572312223 /nfs/dbraw/zinc/31/22/23/572312223.db2.gz ONOWJLVZWMAPAP-UHFFFAOYSA-N 0 0 586.395 5.449 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5c(c(Br)c(Br)c(Br)c5Br)C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408667982 572313049 /nfs/dbraw/zinc/31/30/49/572313049.db2.gz QQWQLZSYKIECIG-CYBMUJFWSA-N 0 0 815.063 7.021 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)c(C)c2)CC1=O ZINC000408668813 572313615 /nfs/dbraw/zinc/31/36/15/572313615.db2.gz RDAMCOPADCZGSA-GFCCVEGCSA-N 0 0 653.258 6.285 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408670956 572315178 /nfs/dbraw/zinc/31/51/78/572315178.db2.gz XUNGBWSWOXWJPM-LJQANCHMSA-N 0 0 531.565 5.219 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408672135 572315840 /nfs/dbraw/zinc/31/58/40/572315840.db2.gz ZOXMQXUMTKLFQT-HMZNYUFESA-N 0 0 642.495 5.746 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5c(c(Cl)c(Cl)c(Cl)c5Cl)C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672046 572315858 /nfs/dbraw/zinc/31/58/58/572315858.db2.gz UXWYXYISOJLTFA-CYBMUJFWSA-N 0 0 637.259 6.584 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000408673147 572316529 /nfs/dbraw/zinc/31/65/29/572316529.db2.gz YXQOLFRZHOOKLN-UHFFFAOYSA-N 0 0 533.581 6.110 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(C(=O)Nc4ccc(NC(=O)c5ccc(C)cc5)cc4)cc([N+](=O)[O-])c3)cc2)cc1 ZINC000408673769 572316957 /nfs/dbraw/zinc/31/69/57/572316957.db2.gz VBIUZHRDZMFVPC-UHFFFAOYSA-N 0 0 627.657 7.221 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@H](C4=O)C4c6ccccc6C5c5ccccc54)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408674048 572317044 /nfs/dbraw/zinc/31/70/44/572317044.db2.gz YFXJTVOJLGQZAY-FSGKEUEHSA-N 0 0 613.626 5.258 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408678199 572319579 /nfs/dbraw/zinc/31/95/79/572319579.db2.gz CTGRAKDLBJNRLN-UHFFFAOYSA-N 0 0 608.048 7.369 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408678798 572320067 /nfs/dbraw/zinc/32/00/67/572320067.db2.gz DBYPIVLARKJKJV-HCXPYDJZSA-N 0 0 529.552 5.044 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408679374 572320420 /nfs/dbraw/zinc/32/04/20/572320420.db2.gz DVRCMXWGFVVILR-UHFFFAOYSA-N 0 0 584.155 5.970 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408679460 572320522 /nfs/dbraw/zinc/32/05/22/572320522.db2.gz FFHQJLDBSXCRIW-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(CCCC2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000095676380 1069687719 /nfs/dbraw/zinc/68/77/19/1069687719.db2.gz MCPYWEANRVMFQB-UHFFFAOYSA-N 0 0 678.543 7.660 40 5 KKBBRN COC(=O)c1sc(Nc2cc(COC(=O)C(C)(C)C)ccc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F ZINC000100454613 1069697480 /nfs/dbraw/zinc/69/74/80/1069697480.db2.gz HHSSESJKGVKCQD-OAHLLOKOSA-N 0 0 580.581 7.435 40 5 KKBBRN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 ZINC000102901831 1069707874 /nfs/dbraw/zinc/70/78/74/1069707874.db2.gz HIYYGFKEMCPOEG-ZIHKIDLISA-N 0 0 541.579 5.669 40 5 KKBBRN c1ccc2c(c1)cc1ccccc1c2-c1cc(-c2c3ccccc3cc3ccccc32)cc(-c2c3ccccc3cc3ccccc32)c1 ZINC000100216098 1069729889 /nfs/dbraw/zinc/72/98/89/1069729889.db2.gz RDVXPHSOVKZCBJ-UHFFFAOYSA-N 0 0 606.768 13.607 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782251 1069740551 /nfs/dbraw/zinc/74/05/51/1069740551.db2.gz GDHJXPUQRBMYJU-LKWZWFHSSA-N 0 0 584.492 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408833538 1069744763 /nfs/dbraw/zinc/74/47/63/1069744763.db2.gz SXXBYBIYQNWKIL-CRCYZHLCSA-N 0 0 727.431 6.119 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933275 1069757646 /nfs/dbraw/zinc/75/76/46/1069757646.db2.gz AFIBVABTQAVYHB-SXSMZTLPSA-N 0 0 694.162 5.355 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 ZINC000409177383 1069796186 /nfs/dbraw/zinc/79/61/86/1069796186.db2.gz GEKBALDXCGXYMW-HHHXNRCGSA-N 0 0 562.376 5.792 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409192841 1069797875 /nfs/dbraw/zinc/79/78/75/1069797875.db2.gz FVQIRQOCCMPVIL-CIAFOILYSA-N 0 0 575.824 6.839 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409011367 1069846055 /nfs/dbraw/zinc/84/60/55/1069846055.db2.gz HJSRYSKNHZKIFJ-SGEFVQMOSA-N 0 0 614.268 5.687 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408767910 1069869442 /nfs/dbraw/zinc/86/94/42/1069869442.db2.gz HCYRKIQGNMAATC-VSQRRKBNSA-N 0 0 662.724 5.378 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408772519 1069885108 /nfs/dbraw/zinc/88/51/08/1069885108.db2.gz MMKZBXOZUCJRQZ-BIWBSIMWSA-N 0 0 505.596 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408779417 1069900699 /nfs/dbraw/zinc/90/06/99/1069900699.db2.gz WQFOMPZJZXSBBL-DKOMQPSQSA-N 0 0 701.533 5.240 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408780343 1069902970 /nfs/dbraw/zinc/90/29/70/1069902970.db2.gz XQHKGLRUMCUCDW-IVQFASICSA-N 0 0 594.092 6.757 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 ZINC000408818237 1069976292 /nfs/dbraw/zinc/97/62/92/1069976292.db2.gz YFEZUJDCHNLPBX-BKUYFWCQSA-N 0 0 511.353 6.177 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408821391 1069996995 /nfs/dbraw/zinc/99/69/95/1069996995.db2.gz GXZXHKNEHVGCSP-IMUCPKNRSA-N 0 0 620.687 5.668 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000408827346 1070006276 /nfs/dbraw/zinc/00/62/76/1070006276.db2.gz CSEWLFQMRKZCEY-ZSXMQSLNSA-N 0 0 660.752 5.987 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834895 1070035697 /nfs/dbraw/zinc/03/56/97/1070035697.db2.gz WEJYMSFPDNIJJQ-NULZLWRNSA-N 0 0 692.588 5.755 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408839511 1070041212 /nfs/dbraw/zinc/04/12/12/1070041212.db2.gz UAZNHCPPTYVMFK-WOJGMQOQSA-N 0 0 583.803 6.789 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408839805 1070041802 /nfs/dbraw/zinc/04/18/02/1070041802.db2.gz WMDKERFAUIEGTL-RGVLZGJSSA-N 0 0 527.316 5.864 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408838182 1070047586 /nfs/dbraw/zinc/04/75/86/1070047586.db2.gz SHBTZAGGJLMQBY-LYRGBEMXSA-N 0 0 674.997 5.603 40 5 KKBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1ccccc1 ZINC000408841968 1070045239 /nfs/dbraw/zinc/04/52/39/1070045239.db2.gz HKZCLYQMRYWTSV-WOJGMQOQSA-N 0 0 583.803 6.789 40 5 KKBBRN O=c1/c(=C\c2ccccc2OCc2ccccc2F)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408842122 1070045834 /nfs/dbraw/zinc/04/58/34/1070045834.db2.gz MBJCGLAYDCMDQK-GSTVVXAASA-N 0 0 589.648 5.945 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)cc1 ZINC000408845777 1070052247 /nfs/dbraw/zinc/05/22/47/1070052247.db2.gz LLBCTXKMJFRSHT-ZSXMQSLNSA-N 0 0 719.801 5.373 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408844911 1070050828 /nfs/dbraw/zinc/05/08/28/1070050828.db2.gz XEVFWOAMBOMVMF-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408845857 1070052610 /nfs/dbraw/zinc/05/26/10/1070052610.db2.gz SAAXCNOVOKPTLX-NULZLWRNSA-N 0 0 566.038 6.140 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n32)cc1 ZINC000408856547 1070066394 /nfs/dbraw/zinc/06/63/94/1070066394.db2.gz JAWAVGZGKCKBMS-WXKAHTKJSA-N 0 0 710.790 5.257 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408854325 1070071839 /nfs/dbraw/zinc/07/18/39/1070071839.db2.gz CNHAHIQJJRSPQF-HVDVVURSSA-N 0 0 620.687 5.749 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408872056 1070096726 /nfs/dbraw/zinc/09/67/26/1070096726.db2.gz JSJIBDZGDWPTBD-UUYOSTAYSA-N 0 0 557.506 5.868 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408917359 1070207628 /nfs/dbraw/zinc/20/76/28/1070207628.db2.gz RVIAJXMTJFIBBO-WYMPLXKRSA-N 0 0 587.423 6.711 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408916668 1070221170 /nfs/dbraw/zinc/22/11/70/1070221170.db2.gz FWILLYSAEQLHEJ-DHRITJCHSA-N 0 0 583.460 6.880 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1C ZINC000408918723 1070233123 /nfs/dbraw/zinc/23/31/23/1070233123.db2.gz OESPQBOCVBWWBE-VUUXHMSQSA-N 0 0 503.352 5.115 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408930475 1070260238 /nfs/dbraw/zinc/26/02/38/1070260238.db2.gz XMVWRVBLHMSJFH-ZMOGYAJESA-N 0 0 673.485 6.079 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944330 1070296813 /nfs/dbraw/zinc/29/68/13/1070296813.db2.gz VDIPXJJBJKNSHR-OIUASMPBSA-N 0 0 688.715 5.593 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941934 1070301665 /nfs/dbraw/zinc/30/16/65/1070301665.db2.gz QYCLRWQROCFUCK-ITNPZBTBSA-N 0 0 769.614 5.686 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 ZINC000408981151 1070338618 /nfs/dbraw/zinc/33/86/18/1070338618.db2.gz ZWVRFXUQIBCSDR-OBDCIHEFSA-N 0 0 657.104 5.713 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408995321 1070363573 /nfs/dbraw/zinc/36/35/73/1070363573.db2.gz MEPRIVKKPCJHHH-HNVAQCFTSA-N 0 0 803.631 6.045 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409021520 1070398634 /nfs/dbraw/zinc/39/86/34/1070398634.db2.gz LNAHVEKOGSZLFK-YBFXNURJSA-N 0 0 568.389 5.622 40 5 KKBBRN 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Nc1c(Br)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000409176844 1070592106 /nfs/dbraw/zinc/59/21/06/1070592106.db2.gz ZFNYTCLNSQBTHA-HXUWFJFHSA-N 0 0 534.160 5.483 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409179381 1070595168 /nfs/dbraw/zinc/59/51/68/1070595168.db2.gz QVQVZOAAQQMSRE-UHFFFAOYSA-N 0 0 620.570 7.802 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409170794 1070595552 /nfs/dbraw/zinc/59/55/52/1070595552.db2.gz XTHLXWMNVFTZPJ-YDZHTSKRSA-N 0 0 587.532 6.480 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl ZINC000409170904 1070596206 /nfs/dbraw/zinc/59/62/06/1070596206.db2.gz XBZLEBHMYRSBPC-FSJBWODESA-N 0 0 581.990 5.289 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 ZINC000409181507 1070599057 /nfs/dbraw/zinc/59/90/57/1070599057.db2.gz CFFSYYSVHPODTG-HHHXNRCGSA-N 0 0 520.497 5.485 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000409183728 1070603202 /nfs/dbraw/zinc/60/32/02/1070603202.db2.gz UGFDVUIBGIKKTM-UHFFFAOYSA-N 0 0 545.378 8.266 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccs1 ZINC000409190425 1070607610 /nfs/dbraw/zinc/60/76/10/1070607610.db2.gz MXASYMVXFHRZQQ-OCEWKHMESA-N 0 0 693.232 5.851 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409194705 1070613510 /nfs/dbraw/zinc/61/35/10/1070613510.db2.gz LNFNHXXOUMECQV-SRZZPIQSSA-N 0 0 593.452 5.571 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccc(Br)cc1 ZINC000409220139 1070640248 /nfs/dbraw/zinc/64/02/48/1070640248.db2.gz UTHWHSZNRBROSQ-SOFYXZRVSA-N 0 0 516.156 5.583 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc(Br)cc1 ZINC000409224954 1070643139 /nfs/dbraw/zinc/64/31/39/1070643139.db2.gz MTIKETJKZTZJAB-YDZHTSKRSA-N 0 0 553.390 5.856 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409223324 1070650320 /nfs/dbraw/zinc/65/03/20/1070650320.db2.gz FGTNBADTEHHKOZ-YDZHTSKRSA-N 0 0 521.957 5.627 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409226774 1070644831 /nfs/dbraw/zinc/64/48/31/1070644831.db2.gz WVDGBYWVEIFBBT-MYKKPKGFSA-N 0 0 564.982 6.065 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409241575 1070669232 /nfs/dbraw/zinc/66/92/32/1070669232.db2.gz OPMJXVGILJDRAK-WSDLNYQXSA-N 0 0 602.850 6.265 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)CC1 ZINC000409269177 1070703332 /nfs/dbraw/zinc/70/33/32/1070703332.db2.gz GNIOSCCFJVZRIS-SRZZPIQSSA-N 0 0 628.423 6.463 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409270623 1070706246 /nfs/dbraw/zinc/70/62/46/1070706246.db2.gz HTHISXVNXPZCAQ-LMBBUSAASA-N 0 0 635.790 6.142 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc2ccccc21 ZINC000409270780 1070706725 /nfs/dbraw/zinc/70/67/25/1070706725.db2.gz APSKHEONDVWKGS-YDZHTSKRSA-N 0 0 533.949 6.336 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409274797 1070716594 /nfs/dbraw/zinc/71/65/94/1070716594.db2.gz XZRIZPVPLVYTLH-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408879744 1070792670 /nfs/dbraw/zinc/79/26/70/1070792670.db2.gz CWUFHMZJKOUKGK-USDTVRPUSA-N 0 0 595.633 5.128 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408878894 1070796830 /nfs/dbraw/zinc/79/68/30/1070796830.db2.gz DLNHZTDVLATMJT-ODLFYWEKSA-N 0 0 517.441 5.549 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409353040 1070871546 /nfs/dbraw/zinc/87/15/46/1070871546.db2.gz ZZVALIHYMUFVLL-WSDLNYQXSA-N 0 0 525.970 6.307 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)o1 ZINC000409387439 1070909918 /nfs/dbraw/zinc/90/99/18/1070909918.db2.gz AZBAFNVNLIGZSI-KEBDBYFISA-N 0 0 548.451 6.022 40 5 KKBBRN O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2nc3ccccc3n12 ZINC000408903097 1070906775 /nfs/dbraw/zinc/90/67/75/1070906775.db2.gz PDIVZQUHEILRLP-JAIQZWGSSA-N 0 0 681.249 5.153 40 5 KKBBRN CCc1c(C)c2cc3[nH]c(c4cc(=O)c5c(C)c(cc6[nH+]c(cc1[nH]2)c(C)c6CC)[nH]c5-4)c(CCC(=O)[O-])c3C ZINC000584578826 1070978329 /nfs/dbraw/zinc/97/83/29/1070978329.db2.gz OUAGTVIAAKQHNU-UHFFFAOYSA-N 0 0 534.660 6.984 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917173 1070993037 /nfs/dbraw/zinc/99/30/37/1070993037.db2.gz OGAZAGZTDHRJHN-SSDVNMTOSA-N 0 0 594.270 7.480 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408916701 1070997250 /nfs/dbraw/zinc/99/72/50/1070997250.db2.gz GHQKGALFEBJCQW-YDZHTSKRSA-N 0 0 742.329 7.018 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408915644 1071007505 /nfs/dbraw/zinc/00/75/05/1071007505.db2.gz QJWDFGJEKRQJNZ-FUAQWRKOSA-N 0 0 696.181 6.475 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408927264 1071069666 /nfs/dbraw/zinc/06/96/66/1071069666.db2.gz VSKYLGPPHFNKEW-FVUNBJOLSA-N 0 0 652.729 5.035 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408926390 1071073158 /nfs/dbraw/zinc/07/31/58/1071073158.db2.gz NEDZOHMFYXYILH-ZSJKCPIUSA-N 0 0 594.045 5.017 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408927181 1071070360 /nfs/dbraw/zinc/07/03/60/1071070360.db2.gz VPESTCLRARKFGS-VPHSIRQSSA-N 0 0 694.629 6.158 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408925981 1071075534 /nfs/dbraw/zinc/07/55/34/1071075534.db2.gz VVDONTKWLXLDLW-UHFFFAOYSA-N 0 0 634.614 5.248 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408924441 1071081351 /nfs/dbraw/zinc/08/13/51/1071081351.db2.gz IWRUYSZNAPYOTB-KFOJKGMOSA-N 0 0 636.730 5.415 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000408922379 1071091953 /nfs/dbraw/zinc/09/19/53/1071091953.db2.gz DMVKSBJYWSBCJB-USDTVRPUSA-N 0 0 620.127 6.524 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408921759 1071094064 /nfs/dbraw/zinc/09/40/64/1071094064.db2.gz WQUAKDSGXPTOPO-UHFFFAOYSA-N 0 0 533.631 5.721 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408921348 1071096607 /nfs/dbraw/zinc/09/66/07/1071096607.db2.gz MZDDSXVBPXFUHD-FJNIOPPGSA-N 0 0 627.122 5.751 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408920614 1071103593 /nfs/dbraw/zinc/10/35/93/1071103593.db2.gz KEZCPSZHXXKJSB-YZSQISJMSA-N 0 0 567.545 6.594 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408919237 1071122106 /nfs/dbraw/zinc/12/21/06/1071122106.db2.gz VCGMFPUVBXAWED-YDZHTSKRSA-N 0 0 542.972 6.602 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408919260 1071122164 /nfs/dbraw/zinc/12/21/64/1071122164.db2.gz VLCKVLXMOLYUCS-HZHHUVPKSA-N 0 0 635.698 5.447 40 5 KKBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575421796 1071139151 /nfs/dbraw/zinc/13/91/51/1071139151.db2.gz RRINXLRWMNWQCP-MEKGRNQZSA-N 0 0 600.697 5.373 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 ZINC000408917884 1071140472 /nfs/dbraw/zinc/14/04/72/1071140472.db2.gz CJBCSAPPDSMGPE-CAZKKTPXSA-N 0 0 554.194 5.261 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408927997 1071189447 /nfs/dbraw/zinc/18/94/47/1071189447.db2.gz ZJFVHEUOFKNSMS-KFOJKGMOSA-N 0 0 652.798 6.128 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408927996 1071189562 /nfs/dbraw/zinc/18/95/62/1071189562.db2.gz ZJFVHEUOFKNSMS-FVUNBJOLSA-N 0 0 652.798 6.128 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408927785 1071194440 /nfs/dbraw/zinc/19/44/40/1071194440.db2.gz RFEFTMHGNOJKAG-WJTYMRCSSA-N 0 0 684.774 6.164 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214964613 1071207031 /nfs/dbraw/zinc/20/70/31/1071207031.db2.gz AQIROASOAXQMEF-YDZHTSKRSA-N 0 0 648.329 7.334 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1F ZINC000408935833 1071217374 /nfs/dbraw/zinc/21/73/74/1071217374.db2.gz OCVQFBZVLQBWDE-UUYOSTAYSA-N 0 0 633.395 5.593 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934947 1071226791 /nfs/dbraw/zinc/22/67/91/1071226791.db2.gz DRVNPPCZADIMDW-ZMTYCLHQSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408933882 1071238150 /nfs/dbraw/zinc/23/81/50/1071238150.db2.gz AUVGQCGZOMQVDB-OBDCIHEFSA-N 0 0 648.137 5.726 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932438 1071253047 /nfs/dbraw/zinc/25/30/47/1071253047.db2.gz XBGBIYGOEFUTDD-UUYOSTAYSA-N 0 0 542.375 5.972 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408943855 1071259903 /nfs/dbraw/zinc/25/99/03/1071259903.db2.gz MISXFVINTDDXFH-JNNIQXQOSA-N 0 0 738.613 5.464 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408943470 1071260000 /nfs/dbraw/zinc/26/00/00/1071260000.db2.gz SSBDPNKVLCSWNI-UAMLYEQYSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944292 1071284489 /nfs/dbraw/zinc/28/44/89/1071284489.db2.gz UUQZVWPCFFXFSC-JLKMOJGBSA-N 0 0 613.692 5.073 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408942879 1071295997 /nfs/dbraw/zinc/29/59/97/1071295997.db2.gz RWDSZDRZLATGFZ-MRWVFDTMSA-N 0 0 736.641 6.234 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408942752 1071297690 /nfs/dbraw/zinc/29/76/90/1071297690.db2.gz RHJZGHGVCKQBSV-VSQRRKBNSA-N 0 0 742.648 6.988 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC ZINC000408940479 1071317341 /nfs/dbraw/zinc/31/73/41/1071317341.db2.gz USJGSYUJWSKNIQ-VDDLRNDKSA-N 0 0 755.556 5.195 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939906 1071321470 /nfs/dbraw/zinc/32/14/70/1071321470.db2.gz NIRZXWXPUJHHSJ-PKYOQBLNSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000408938725 1071329109 /nfs/dbraw/zinc/32/91/09/1071329109.db2.gz ABJFBHNBKCROCJ-UNDLXJOSSA-N 0 0 641.105 6.094 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685938 1071354105 /nfs/dbraw/zinc/35/41/05/1071354105.db2.gz QLKOQEHXWMVXML-FZDFQQAASA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408686230 1071351486 /nfs/dbraw/zinc/35/14/86/1071351486.db2.gz QZZHDVNCPHVJNL-FZDFQQAASA-N 0 0 547.542 5.184 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408686232 1071351513 /nfs/dbraw/zinc/35/15/13/1071351513.db2.gz QZZHDVNCPHVJNL-QYVZARNFSA-N 0 0 547.542 5.184 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408686281 1071351854 /nfs/dbraw/zinc/35/18/54/1071351854.db2.gz RHUBBUDPDBRKQM-HCXPYDJZSA-N 0 0 608.448 5.807 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408949873 1071358538 /nfs/dbraw/zinc/35/85/38/1071358538.db2.gz SKMDGYLRXPIPKY-UBMKPUGCSA-N 0 0 694.560 5.065 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408683829 1071362297 /nfs/dbraw/zinc/36/22/97/1071362297.db2.gz MHLXNGPAZYKMNZ-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Br)cc1 ZINC000408683961 1071362792 /nfs/dbraw/zinc/36/27/92/1071362792.db2.gz MOGBONYKBYFKDR-QYVRTBTHSA-N 0 0 636.458 5.490 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408683591 1071364368 /nfs/dbraw/zinc/36/43/68/1071364368.db2.gz LRQRXRLUVVRSCC-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683546 1071364458 /nfs/dbraw/zinc/36/44/58/1071364458.db2.gz LNWOZGJTOHTOMX-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000408948586 1071364820 /nfs/dbraw/zinc/36/48/20/1071364820.db2.gz KSYMSPXURIQZTP-IYVASWNSSA-N 0 0 652.523 5.435 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683628 1071364825 /nfs/dbraw/zinc/36/48/25/1071364825.db2.gz LTZUKXZDXMNYGH-UHFFFAOYSA-N 0 0 584.155 5.970 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682193 1071371551 /nfs/dbraw/zinc/37/15/51/1071371551.db2.gz JDNCFRCZDFWOTD-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408688299 1071422631 /nfs/dbraw/zinc/42/26/31/1071422631.db2.gz VWYWTZWHUJGOJS-UHFFFAOYSA-N 0 0 584.155 5.970 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688074 1071423539 /nfs/dbraw/zinc/42/35/39/1071423539.db2.gz VQUJREQNFMLWKK-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(Cc5cccc6ccccc65)n4C)cc3s2)c([N+](=O)[O-])c1 ZINC000408978934 1071480249 /nfs/dbraw/zinc/48/02/49/1071480249.db2.gz AZIGPWPTURGFLB-UHFFFAOYSA-N 0 0 685.813 6.547 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000408986898 1071487296 /nfs/dbraw/zinc/48/72/96/1071487296.db2.gz PVPBCVMXXTZFKU-UHFFFAOYSA-N 0 0 806.106 7.786 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408985598 1071499994 /nfs/dbraw/zinc/49/99/94/1071499994.db2.gz NTBMIDSJFHTESB-PLNPHXOGSA-N 0 0 682.154 6.085 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985217 1071501938 /nfs/dbraw/zinc/50/19/38/1071501938.db2.gz JZXNWZWEGBAMST-SZYVSPPHSA-N 0 0 881.483 5.902 40 5 KKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 ZINC000408710465 1071508466 /nfs/dbraw/zinc/50/84/66/1071508466.db2.gz KGFKXTOAIRZUAO-UHFFFAOYSA-N 0 0 533.953 6.326 40 5 KKBBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 ZINC000408984327 1071509630 /nfs/dbraw/zinc/50/96/30/1071509630.db2.gz MNBDVPVAPJUHQW-UHFFFAOYSA-N 0 0 532.603 5.661 40 5 KKBBRN CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726448 1071517377 /nfs/dbraw/zinc/51/73/77/1071517377.db2.gz RRRPDOKDKMZZSZ-UHFFFAOYSA-N 0 0 565.626 5.589 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408981771 1071531895 /nfs/dbraw/zinc/53/18/95/1071531895.db2.gz BQYREWQQGSSPDU-SJXDCSIJSA-N 0 0 708.587 5.455 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4ccccc4)n3C)cc2s1 ZINC000408980997 1071537403 /nfs/dbraw/zinc/53/74/03/1071537403.db2.gz HBZYCVLKLHDUSR-UHFFFAOYSA-N 0 0 592.728 5.956 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000408980558 1071538879 /nfs/dbraw/zinc/53/88/79/1071538879.db2.gz FOEIOOUHZPQUJE-UHFFFAOYSA-N 0 0 563.616 6.551 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408720262 1071545105 /nfs/dbraw/zinc/54/51/05/1071545105.db2.gz KLPQNXYFYHXWMR-TVNKHIRZSA-N 0 0 536.584 5.709 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408979420 1071545425 /nfs/dbraw/zinc/54/54/25/1071545425.db2.gz QMWGLAJSVFLCDL-AHDXEZHLSA-N 0 0 692.750 5.387 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 ZINC000408720309 1071545458 /nfs/dbraw/zinc/54/54/58/1071545458.db2.gz KZDQCOHLCFMGTN-PSQNISHLSA-N 0 0 520.585 6.009 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000408719518 1071547104 /nfs/dbraw/zinc/54/71/04/1071547104.db2.gz FMRLWFBDFREYPB-PSQNISHLSA-N 0 0 536.584 5.709 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000408720731 1071543520 /nfs/dbraw/zinc/54/35/20/1071543520.db2.gz XSIMOFASIGRPNO-OIOCTNRISA-N 0 0 520.585 6.009 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720733 1071543556 /nfs/dbraw/zinc/54/35/56/1071543556.db2.gz XSIMOFASIGRPNO-TVNKHIRZSA-N 0 0 520.585 6.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733557 1071551108 /nfs/dbraw/zinc/55/11/08/1071551108.db2.gz JTKOZPBPBLHDBA-VPHSIRQSSA-N 0 0 674.529 6.297 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733609 1071551609 /nfs/dbraw/zinc/55/16/09/1071551609.db2.gz MDSCXCGBWZONQT-VPVLBGOXSA-N 0 0 705.914 5.233 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408995574 1071551714 /nfs/dbraw/zinc/55/17/14/1071551714.db2.gz BEOSFACOBMPZLM-TVRVIFGSSA-N 0 0 799.656 7.439 40 5 KKBBRN COc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408737041 1071553810 /nfs/dbraw/zinc/55/38/10/1071553810.db2.gz LEVFFLCKMDYRGJ-SANMLTNESA-N 0 0 509.562 5.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735899 1071559044 /nfs/dbraw/zinc/55/90/44/1071559044.db2.gz ZBRMMMOLTGHRDQ-PRLWALMFSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735688 1071559059 /nfs/dbraw/zinc/55/90/59/1071559059.db2.gz WBYRYOCERFRHKP-TZUCAZQYSA-N 0 0 674.688 5.204 40 5 KKBBRN O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000408736670 1071555629 /nfs/dbraw/zinc/55/56/29/1071555629.db2.gz FAMZNQNFJZKEPH-MGBGTMOVSA-N 0 0 598.655 6.547 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734603 1071564684 /nfs/dbraw/zinc/56/46/84/1071564684.db2.gz ZJYKUNRCZMCZFI-TZUCAZQYSA-N 0 0 654.657 5.752 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735409 1071560768 /nfs/dbraw/zinc/56/07/68/1071560768.db2.gz ROQUUQDQYNSUEC-OBDCIHEFSA-N 0 0 674.688 5.204 40 5 KKBBRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)cc(OC)c1OC ZINC000408993937 1071561103 /nfs/dbraw/zinc/56/11/03/1071561103.db2.gz XPAFCLZSHFBKLC-SANMLTNESA-N 0 0 558.616 5.991 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735271 1071561400 /nfs/dbraw/zinc/56/14/00/1071561400.db2.gz PHOIBBAQHJJVKT-PKYOQBLNSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734860 1071563663 /nfs/dbraw/zinc/56/36/63/1071563663.db2.gz KRUROKSFIQGTPS-OIUASMPBSA-N 0 0 722.614 5.845 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 ZINC000408993689 1071563779 /nfs/dbraw/zinc/56/37/79/1071563779.db2.gz FAWBAURZABSPOQ-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733789 1071570283 /nfs/dbraw/zinc/57/02/83/1071570283.db2.gz QZYRRTIJJWDQFA-YRSDHNRQSA-N 0 0 684.941 7.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733929 1071568358 /nfs/dbraw/zinc/56/83/58/1071568358.db2.gz RXJZDOLFUFIRMG-HQNZAIDJSA-N 0 0 710.721 5.771 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733951 1071569097 /nfs/dbraw/zinc/56/90/97/1071569097.db2.gz SWVXKKVDUIZEED-SZYVSPPHSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734007 1071569482 /nfs/dbraw/zinc/56/94/82/1071569482.db2.gz USGCMJWLZKSCOR-SJXDCSIJSA-N 0 0 609.660 5.437 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733341 1071571383 /nfs/dbraw/zinc/57/13/83/1071571383.db2.gz GZPDVQXMSRFOII-QQMBNGEASA-N 0 0 656.116 6.199 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733397 1071571894 /nfs/dbraw/zinc/57/18/94/1071571894.db2.gz IFEDYBNTTQUWLO-UTWPHBJQSA-N 0 0 717.392 5.809 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408992384 1071572733 /nfs/dbraw/zinc/57/27/33/1071572733.db2.gz AVSNLHMLWUQLEG-UHFFFAOYSA-N 0 0 560.404 7.070 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732961 1071575832 /nfs/dbraw/zinc/57/58/32/1071575832.db2.gz BXJYAVZAJRVADK-IZBTWGKQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732910 1071575294 /nfs/dbraw/zinc/57/52/94/1071575294.db2.gz ARFCAQMXNZIWBB-ZYDFGXJWSA-N 0 0 831.810 5.838 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408992008 1071576630 /nfs/dbraw/zinc/57/66/30/1071576630.db2.gz PWRSVBIVLIDMCZ-GSASKQFNSA-N 0 0 663.777 6.145 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408732852 1071576825 /nfs/dbraw/zinc/57/68/25/1071576825.db2.gz ABCMTNRSTZTYLY-DQARITGZSA-N 0 0 684.941 7.187 40 5 KKBBRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991735 1071579079 /nfs/dbraw/zinc/57/90/79/1071579079.db2.gz PCHFEJUEHNCIIJ-RTBURBONSA-N 0 0 657.799 7.682 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731930 1071580156 /nfs/dbraw/zinc/58/01/56/1071580156.db2.gz QWJLPLJGIHFDRF-USBYOSQFSA-N 0 0 780.812 6.289 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408731345 1071582141 /nfs/dbraw/zinc/58/21/41/1071582141.db2.gz JYKCRWPKMWXGRK-JYVYKJRCSA-N 0 0 544.947 5.087 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731259 1071583549 /nfs/dbraw/zinc/58/35/49/1071583549.db2.gz ZRBHQGPDNKXJPE-FUFNRSNVSA-N 0 0 626.603 5.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731005 1071583568 /nfs/dbraw/zinc/58/35/68/1071583568.db2.gz XQGIIDWFJMKUOM-TZYWHCFRSA-N 0 0 734.614 7.251 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730962 1071585075 /nfs/dbraw/zinc/58/50/75/1071585075.db2.gz XBUCOYOALUIDNC-FUFNRSNVSA-N 0 0 626.603 5.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730337 1071587792 /nfs/dbraw/zinc/58/77/92/1071587792.db2.gz PTEFOWZDRQKQJE-USDTVRPUSA-N 0 0 595.633 5.128 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000408729654 1071591778 /nfs/dbraw/zinc/59/17/78/1071591778.db2.gz BUJYPBHBXXAXMH-SUFMYBPMSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408989663 1071596184 /nfs/dbraw/zinc/59/61/84/1071596184.db2.gz UXLCLYJCTMOCOC-JOHYPREOSA-N 0 0 682.154 6.085 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728601 1071596424 /nfs/dbraw/zinc/59/64/24/1071596424.db2.gz PPYNIKKPGHEKNP-AGYDLCDTSA-N 0 0 584.220 5.013 40 5 KKBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1C ZINC000408989371 1071598393 /nfs/dbraw/zinc/59/83/93/1071598393.db2.gz UDYWSSYVFOLJSM-UHFFFAOYSA-N 0 0 711.851 7.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727634 1071599061 /nfs/dbraw/zinc/59/90/61/1071599061.db2.gz VCGUAQMGKNEQRH-YIECNSLDSA-N 0 0 630.078 5.782 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727722 1071599414 /nfs/dbraw/zinc/59/94/14/1071599414.db2.gz WHOZWUHNQOFPJY-DFXMODJXSA-N 0 0 635.698 5.447 40 5 KKBBRN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408738945 1071606521 /nfs/dbraw/zinc/60/65/21/1071606521.db2.gz XGLVJAQYQVJBMA-NDEPHWFRSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738732 1071607105 /nfs/dbraw/zinc/60/71/05/1071607105.db2.gz NGLRICPLJOBMHD-WOSHRIRTSA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408987448 1071612942 /nfs/dbraw/zinc/61/29/42/1071612942.db2.gz OSZYCTWLPRUBJN-SZYVSPPHSA-N 0 0 787.483 6.218 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408987431 1071612949 /nfs/dbraw/zinc/61/29/49/1071612949.db2.gz OREHNPBETNXAOJ-QUNTYYFUSA-N 0 0 787.483 6.218 40 5 KKBBRN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408996700 1071617367 /nfs/dbraw/zinc/61/73/67/1071617367.db2.gz ABVHMTBGSHCOOH-SANMLTNESA-N 0 0 544.007 5.755 40 5 KKBBRN Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O ZINC000408996438 1071617396 /nfs/dbraw/zinc/61/73/96/1071617396.db2.gz DTCNOMLAIMHTHU-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408996150 1071619061 /nfs/dbraw/zinc/61/90/61/1071619061.db2.gz OIPQRZZTRHCHKJ-KMCFWPMWSA-N 0 0 821.569 7.670 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408996233 1071619487 /nfs/dbraw/zinc/61/94/87/1071619487.db2.gz LRPWCGFFFALVHE-PEPUGYCWSA-N 0 0 805.501 6.956 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409006225 1071625679 /nfs/dbraw/zinc/62/56/79/1071625679.db2.gz ZDHJPZKEKQRBNT-JAIQZWGSSA-N 0 0 522.897 5.219 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756417 1071638271 /nfs/dbraw/zinc/63/82/71/1071638271.db2.gz RDRIIBCCPGNQPD-DDIUQFJASA-N 0 0 602.628 5.927 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408755901 1071642090 /nfs/dbraw/zinc/64/20/90/1071642090.db2.gz GGVDTWQXZVFILY-UHFFFAOYSA-N 0 0 559.420 6.901 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408754366 1071651711 /nfs/dbraw/zinc/65/17/11/1071651711.db2.gz JYTHOQAORQBFJF-FWESEHMYSA-N 0 0 642.089 5.766 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999778 1071652148 /nfs/dbraw/zinc/65/21/48/1071652148.db2.gz XRTLGCKCVOLDNS-GRPHBVMCSA-N 0 0 713.815 5.333 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408998979 1071656862 /nfs/dbraw/zinc/65/68/62/1071656862.db2.gz VOZFLWVVABGVFP-JOHYPREOSA-N 0 0 742.673 6.907 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999676 1071653630 /nfs/dbraw/zinc/65/36/30/1071653630.db2.gz RXRRRLNPXCCSBK-DFXMODJXSA-N 0 0 694.747 6.266 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408753322 1071657567 /nfs/dbraw/zinc/65/75/67/1071657567.db2.gz NVHQYPFRKYDZHC-FUFNRSNVSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998460 1071658502 /nfs/dbraw/zinc/65/85/02/1071658502.db2.gz UNNOQVGLELWZEK-QZVQSRICSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998455 1071659679 /nfs/dbraw/zinc/65/96/79/1071659679.db2.gz UNNOQVGLELWZEK-JOHYPREOSA-N 0 0 726.605 6.194 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408752753 1071661987 /nfs/dbraw/zinc/66/19/87/1071661987.db2.gz JXCAUFZJCCAYHU-WHLOOWMUSA-N 0 0 500.554 6.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408753324 1071657406 /nfs/dbraw/zinc/65/74/06/1071657406.db2.gz NVHQYPFRKYDZHC-PRLWALMFSA-N 0 0 638.098 5.417 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409015777 1071670907 /nfs/dbraw/zinc/67/09/07/1071670907.db2.gz BDYCBHUKXZHITE-SRZZPIQSSA-N 0 0 699.214 5.615 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000408750327 1071677232 /nfs/dbraw/zinc/67/72/32/1071677232.db2.gz LNOCGYXISDQPSD-UHFFFAOYSA-N 0 0 516.387 6.604 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409009513 1071695572 /nfs/dbraw/zinc/69/55/72/1071695572.db2.gz APTSOTROCXOQJB-PVGUKEHMSA-N 0 0 579.425 5.323 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408758331 1071705503 /nfs/dbraw/zinc/70/55/03/1071705503.db2.gz XWVYPFVOZJTXDR-UHFFFAOYSA-N 0 0 545.349 6.013 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408758568 1071705590 /nfs/dbraw/zinc/70/55/90/1071705590.db2.gz MUMSQGGGJKTVKM-FPWMYLJGSA-N 0 0 835.527 6.965 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758199 1071706931 /nfs/dbraw/zinc/70/69/31/1071706931.db2.gz WUUIVIPCBGPZQC-IYJCGXJPSA-N 0 0 695.753 6.617 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408757876 1071708706 /nfs/dbraw/zinc/70/87/06/1071708706.db2.gz REWFCCGCXQPWLD-UHFFFAOYSA-N 0 0 532.350 6.453 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc(O)c2)C4=O)ccc1Br ZINC000408757739 1071710133 /nfs/dbraw/zinc/71/01/33/1071710133.db2.gz PZVWYSIHNVMQJE-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)c1 ZINC000408757624 1071711061 /nfs/dbraw/zinc/71/10/61/1071711061.db2.gz OAKIWSKETHRUMH-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408757638 1071711224 /nfs/dbraw/zinc/71/12/24/1071711224.db2.gz ODFIMWGYUQNDOX-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc21 ZINC000408757464 1071711986 /nfs/dbraw/zinc/71/19/86/1071711986.db2.gz NRTRHLJEMCQOPP-UHFFFAOYSA-N 0 0 538.357 7.208 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 ZINC000408757347 1071713442 /nfs/dbraw/zinc/71/34/42/1071713442.db2.gz MGBHYDIBAIVLRN-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408765886 1071721589 /nfs/dbraw/zinc/72/15/89/1071721589.db2.gz RHSKDJMNSQOEED-PEPUGYCWSA-N 0 0 787.601 6.324 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409020447 1071727025 /nfs/dbraw/zinc/72/70/25/1071727025.db2.gz PLJRAKGHNGMTHB-OVVQPSECSA-N 0 0 637.114 5.611 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n32)c1 ZINC000408764993 1071726571 /nfs/dbraw/zinc/72/65/71/1071726571.db2.gz AZXVFJXEDNJESO-HRDPZVOISA-N 0 0 696.741 6.163 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409019354 1071730118 /nfs/dbraw/zinc/73/01/18/1071730118.db2.gz ISOMCZWUSYLDRJ-NNLQFVHNSA-N 0 0 708.268 5.371 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408763813 1071731119 /nfs/dbraw/zinc/73/11/19/1071731119.db2.gz RADVAVKJMOWIRY-CTHKJOMYSA-N 0 0 672.115 5.774 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036850 1071740841 /nfs/dbraw/zinc/74/08/41/1071740841.db2.gz BUBNKENQKPFFNS-LMWPEEHHSA-N 0 0 756.617 5.543 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770626 1071741238 /nfs/dbraw/zinc/74/12/38/1071741238.db2.gz ZRKKOGBHVRLXDL-UUGOHJJBSA-N 0 0 717.598 5.489 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)c1 ZINC000408770436 1071743520 /nfs/dbraw/zinc/74/35/20/1071743520.db2.gz XNYFKSJMXPKHFY-DDIUQFJASA-N 0 0 646.681 5.010 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770406 1071742852 /nfs/dbraw/zinc/74/28/52/1071742852.db2.gz XCFCYASOMHAYCZ-AOFXREQWSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036296 1071743045 /nfs/dbraw/zinc/74/30/45/1071743045.db2.gz QTZRJLNGFQFJSY-OCDQFKQQSA-N 0 0 799.640 5.695 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408776895 1071747601 /nfs/dbraw/zinc/74/76/01/1071747601.db2.gz SCNRIFORSJVDJR-QZVQSRICSA-N 0 0 728.248 6.807 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036220 1071744741 /nfs/dbraw/zinc/74/47/41/1071744741.db2.gz AUKBFZMFRAWUNZ-SUCILVLGSA-N 0 0 798.874 6.782 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409036230 1071745109 /nfs/dbraw/zinc/74/51/09/1071745109.db2.gz AXAVPDCOHMBXKV-KEPJHFNWSA-N 0 0 601.681 5.371 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000409035650 1071750169 /nfs/dbraw/zinc/75/01/69/1071750169.db2.gz JWEBZVNONHUALB-ZHMJVLCISA-N 0 0 759.284 8.273 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408775887 1071753108 /nfs/dbraw/zinc/75/31/08/1071753108.db2.gz KPVLADJAZJZVJF-NBQDTTAVSA-N 0 0 575.646 5.804 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408774355 1071761157 /nfs/dbraw/zinc/76/11/57/1071761157.db2.gz CEVYUENQNAXYDX-ORVZPOCUSA-N 0 0 759.498 6.532 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408774180 1071763430 /nfs/dbraw/zinc/76/34/30/1071763430.db2.gz AUNNSNJLGNHKQJ-SUAMDDGLSA-N 0 0 652.498 5.187 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033734 1071766750 /nfs/dbraw/zinc/76/67/50/1071766750.db2.gz PGPUCEHVGWFRPN-CRCYZHLCSA-N 0 0 686.968 6.171 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)sc2=N1 ZINC000409033400 1071770004 /nfs/dbraw/zinc/77/00/04/1071770004.db2.gz LEUIWIPLGUPQLA-UQDCTOEPSA-N 0 0 622.099 5.717 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033162 1071772104 /nfs/dbraw/zinc/77/21/04/1071772104.db2.gz NFUKVQLOEIGODN-BIWBSIMWSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033171 1071772728 /nfs/dbraw/zinc/77/27/28/1071772728.db2.gz NHKQRVFUURZHAK-RIFKOAFWSA-N 0 0 766.667 6.243 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032664 1071777516 /nfs/dbraw/zinc/77/75/16/1071777516.db2.gz MFOMAZAYADJNIL-KAEGSSFASA-N 0 0 722.614 5.844 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408771350 1071781175 /nfs/dbraw/zinc/78/11/75/1071781175.db2.gz FVHWMZNLTWMCCH-AOLPSBPOSA-N 0 0 666.335 6.703 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031260 1071790579 /nfs/dbraw/zinc/79/05/79/1071790579.db2.gz ACGVMEIVRWZNBP-LNXFQTKESA-N 0 0 674.570 5.052 40 5 KKBBRN O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408770354 1071786568 /nfs/dbraw/zinc/78/65/68/1071786568.db2.gz WMLGIWVOVQCPHI-GEYGMGCISA-N 0 0 723.630 6.181 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 ZINC000408770143 1071787664 /nfs/dbraw/zinc/78/76/64/1071787664.db2.gz TZXALULTHMRFAK-KFOJKGMOSA-N 0 0 711.594 6.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031536 1071787686 /nfs/dbraw/zinc/78/76/86/1071787686.db2.gz HEJNIGJOGVRUPP-OKMHPQNISA-N 0 0 752.640 5.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031591 1071788106 /nfs/dbraw/zinc/78/81/06/1071788106.db2.gz HOFDBMYLQSOSLS-LMWPEEHHSA-N 0 0 845.519 5.761 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769891 1071789783 /nfs/dbraw/zinc/78/97/83/1071789783.db2.gz QHITYPJZRCARIZ-HAWPWTPLSA-N 0 0 674.760 5.427 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409030967 1071793730 /nfs/dbraw/zinc/79/37/30/1071793730.db2.gz FXUGZMBULLIWGK-KAEGSSFASA-N 0 0 727.033 6.490 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408768736 1071798733 /nfs/dbraw/zinc/79/87/33/1071798733.db2.gz KAGASJINBMCPLX-FVUNBJOLSA-N 0 0 788.620 5.983 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000409030068 1071801092 /nfs/dbraw/zinc/80/10/92/1071801092.db2.gz CAPZYIPIISUIMU-CRCYZHLCSA-N 0 0 608.072 5.407 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409038166 1071817584 /nfs/dbraw/zinc/81/75/84/1071817584.db2.gz ORZRSMHHELACKC-STZFKDTASA-N 0 0 524.396 5.541 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)c1 ZINC000408780598 1071824184 /nfs/dbraw/zinc/82/41/84/1071824184.db2.gz FWJTWUQBSMTWKH-ZSXMQSLNSA-N 0 0 655.736 5.794 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408780345 1071824149 /nfs/dbraw/zinc/82/41/49/1071824149.db2.gz XQHKGLRUMCUCDW-SELCLYCASA-N 0 0 594.092 6.757 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037487 1071822333 /nfs/dbraw/zinc/82/23/33/1071822333.db2.gz NSYSFTOLNZHXAA-UJOYXPLYSA-N 0 0 737.787 5.389 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409046379 1071832175 /nfs/dbraw/zinc/83/21/75/1071832175.db2.gz KIBSNKHIDJYYHD-ITNPZBTBSA-N 0 0 763.464 6.964 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408778135 1071840167 /nfs/dbraw/zinc/84/01/67/1071840167.db2.gz BOZXEBCVKJFNMB-LCQSEVKBSA-N 0 0 551.649 5.857 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045420 1071840646 /nfs/dbraw/zinc/84/06/46/1071840646.db2.gz PMOHLBKLUPFSKY-IVRZUQNJSA-N 0 0 801.068 5.652 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409045270 1071841973 /nfs/dbraw/zinc/84/19/73/1071841973.db2.gz IIVPOGNKMYRNHR-RQZCQDPDSA-N 0 0 511.339 5.080 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408777670 1071841919 /nfs/dbraw/zinc/84/19/19/1071841919.db2.gz FPGISJILAFWTSA-IVQFASICSA-N 0 0 604.644 6.012 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408778367 1071838296 /nfs/dbraw/zinc/83/82/96/1071838296.db2.gz SGDJQTBSZZOOST-SCRHHBKZSA-N 0 0 617.465 5.949 40 5 KKBBRN O=c1/c(=C\c2c3ccccc3cc3ccccc32)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408786985 1071846994 /nfs/dbraw/zinc/84/69/94/1071846994.db2.gz ZDQOOKFBHDPYAC-DUCIMOQJSA-N 0 0 538.647 6.764 40 5 KKBBRN O=c1/c(=C\c2c3ccccc3cc3ccccc32)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408786987 1071847048 /nfs/dbraw/zinc/84/70/48/1071847048.db2.gz ZDQOOKFBHDPYAC-XNMXCUJWSA-N 0 0 538.647 6.764 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000409043732 1071855064 /nfs/dbraw/zinc/85/50/64/1071855064.db2.gz ZIIZNEYNFRYNPR-ITNPZBTBSA-N 0 0 648.137 5.728 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409043257 1071862679 /nfs/dbraw/zinc/86/26/79/1071862679.db2.gz YPAPXTKYXIGQSA-KMBIYUNPSA-N 0 0 713.404 5.811 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408785338 1071857275 /nfs/dbraw/zinc/85/72/75/1071857275.db2.gz YMORRBWCVMYUHD-QDNAUZDWSA-N 0 0 574.884 6.752 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000409043687 1071857723 /nfs/dbraw/zinc/85/77/23/1071857723.db2.gz ZBAXGHVTXOMXAP-ZHMJVLCISA-N 0 0 803.735 8.383 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043559 1071859348 /nfs/dbraw/zinc/85/93/48/1071859348.db2.gz MYTPGQSCKYUFJN-MBSKNMOHSA-N 0 0 704.714 5.211 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000409043235 1071862001 /nfs/dbraw/zinc/86/20/01/1071862001.db2.gz DJZKZYOWBUWVEA-OGMUYLFESA-N 0 0 605.672 5.439 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)sc2=N1 ZINC000408784475 1071863944 /nfs/dbraw/zinc/86/39/44/1071863944.db2.gz CKKDGCPEQCSAJL-UHAPOFRNSA-N 0 0 698.823 5.802 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408783298 1071870933 /nfs/dbraw/zinc/87/09/33/1071870933.db2.gz NXJCJXVQTDHLLW-CBYYHRJHSA-N 0 0 587.439 5.940 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000409042835 1071866903 /nfs/dbraw/zinc/86/69/03/1071866903.db2.gz XXIYQVYPOAXFEV-OGMUYLFESA-N 0 0 562.691 5.892 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408783976 1071867345 /nfs/dbraw/zinc/86/73/45/1071867345.db2.gz PTSVWDGNRGBIBO-FABFSAKGSA-N 0 0 666.643 5.683 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042475 1071869702 /nfs/dbraw/zinc/86/97/02/1071869702.db2.gz LAHASSBSGZUJJZ-PNQAETMRSA-N 0 0 673.744 5.090 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408782840 1071874346 /nfs/dbraw/zinc/87/43/46/1071874346.db2.gz JZKSXNSBNAFXTO-MFCBUNOESA-N 0 0 729.524 5.038 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000409041418 1071880002 /nfs/dbraw/zinc/88/00/02/1071880002.db2.gz VTJFCLMQNJLVSL-UQDCTOEPSA-N 0 0 666.550 5.826 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000409040423 1071890256 /nfs/dbraw/zinc/89/02/56/1071890256.db2.gz IAUDBXSSNVGZJK-NBQDTTAVSA-N 0 0 643.718 5.081 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409040400 1071890343 /nfs/dbraw/zinc/89/03/43/1071890343.db2.gz UCARUDHIONDBSD-OCEWKHMESA-N 0 0 634.508 5.048 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040445 1071890872 /nfs/dbraw/zinc/89/08/72/1071890872.db2.gz XTQZFZNNFRDKGP-XSTKMXAKSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039341 1071898719 /nfs/dbraw/zinc/89/87/19/1071898719.db2.gz QLVMAQRKEMOQSV-SOJUGJLBSA-N 0 0 752.640 5.852 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408789094 1071896052 /nfs/dbraw/zinc/89/60/52/1071896052.db2.gz JHDVUSQKFCBFHH-NXYYLBPMSA-N 0 0 915.569 7.354 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409038879 1071905254 /nfs/dbraw/zinc/90/52/54/1071905254.db2.gz FUDNVUYVDAUBDJ-YNMQQHPQSA-N 0 0 678.561 5.447 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409039256 1071900227 /nfs/dbraw/zinc/90/02/27/1071900227.db2.gz WUAFAFOEXLFOTL-IWIPYMOSSA-N 0 0 524.982 6.251 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000409039056 1071901412 /nfs/dbraw/zinc/90/14/12/1071901412.db2.gz WCDOLAORZOKLIO-ITNPZBTBSA-N 0 0 648.137 5.728 40 5 KKBBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408804569 1071908856 /nfs/dbraw/zinc/90/88/56/1071908856.db2.gz AWQJFRDISUYMEL-SEGSMTSKSA-N 0 0 528.654 7.228 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409049500 1071913424 /nfs/dbraw/zinc/91/34/24/1071913424.db2.gz RCQZIUARDXTZIN-JLHDDXNDSA-N 0 0 613.692 5.073 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)N(C)C2=S)cc1 ZINC000409038406 1071909532 /nfs/dbraw/zinc/90/95/32/1071909532.db2.gz VFMJUKLIPWGRQT-UCQKPKSFSA-N 0 0 598.475 5.948 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409048942 1071914538 /nfs/dbraw/zinc/91/45/38/1071914538.db2.gz UQNDQAQGSGSYJZ-ITNPZBTBSA-N 0 0 857.464 6.648 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409052441 1071946282 /nfs/dbraw/zinc/94/62/82/1071946282.db2.gz SMEJGSWZOGKWEJ-UCQKPKSFSA-N 0 0 650.422 6.041 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409050560 1071957304 /nfs/dbraw/zinc/95/73/04/1071957304.db2.gz WYKSLJBZRRCEFU-NLPOYATNSA-N 0 0 786.866 6.371 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049049 1071967884 /nfs/dbraw/zinc/96/78/84/1071967884.db2.gz XZIQEGRCAHALRR-XSTKMXAKSA-N 0 0 740.604 5.983 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409058155 1071989635 /nfs/dbraw/zinc/98/96/35/1071989635.db2.gz RTFBVAGQEJPOJX-QRVIBDJDSA-N 0 0 616.433 6.332 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409057728 1071992475 /nfs/dbraw/zinc/99/24/75/1071992475.db2.gz KVEGQWBLUYELQF-IWIPYMOSSA-N 0 0 610.486 5.646 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409067150 1071998175 /nfs/dbraw/zinc/99/81/75/1071998175.db2.gz JOQRICCYXKEMHQ-UNOMPAQXSA-N 0 0 568.389 5.623 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000409065677 1072007542 /nfs/dbraw/zinc/00/75/42/1072007542.db2.gz KFNFVVUMJLDVMJ-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409064410 1072016171 /nfs/dbraw/zinc/01/61/71/1072016171.db2.gz CTDXTYIGNPRJPN-AWQFTUOYSA-N 0 0 558.772 5.696 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076842 1072047831 /nfs/dbraw/zinc/04/78/31/1072047831.db2.gz CBOKYPNFCKWZIQ-INJWXVQMSA-N 0 0 682.549 5.445 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409074702 1072066181 /nfs/dbraw/zinc/06/61/81/1072066181.db2.gz WXNKUCBZOIEYTR-XKZIYDEJSA-N 0 0 541.379 6.186 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409080097 1072125612 /nfs/dbraw/zinc/12/56/12/1072125612.db2.gz LDWOISWQLYZYBB-PIXWUVMMSA-N 0 0 794.451 6.596 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079881 1072129813 /nfs/dbraw/zinc/12/98/13/1072129813.db2.gz JYMWOYJMTUJQAD-UAMLYEQYSA-N 0 0 857.464 6.648 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409079599 1072133570 /nfs/dbraw/zinc/13/35/70/1072133570.db2.gz LDVRIBWRWCJWLZ-BIWBSIMWSA-N 0 0 666.575 5.629 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409078160 1072149629 /nfs/dbraw/zinc/14/96/29/1072149629.db2.gz GTZNIXKNNPVGHS-ZWTBYVTRSA-N 0 0 668.522 5.136 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409085722 1072175450 /nfs/dbraw/zinc/17/54/50/1072175450.db2.gz CVKMQJLGOHXOSV-WKIZKNSPSA-N 0 0 655.736 5.794 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084613 1072185957 /nfs/dbraw/zinc/18/59/57/1072185957.db2.gz WWHUEALLIBORHG-UPWSPCOFSA-N 0 0 680.602 5.937 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084078 1072193413 /nfs/dbraw/zinc/19/34/13/1072193413.db2.gz WLHLWKLCEKMHRD-IYVASWNSSA-N 0 0 701.020 6.282 40 5 KKBBRN COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000409096488 1072233755 /nfs/dbraw/zinc/23/37/55/1072233755.db2.gz LFDVPHMHMLDHHJ-UHFFFAOYSA-N 0 0 506.893 6.675 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409096382 1072234771 /nfs/dbraw/zinc/23/47/71/1072234771.db2.gz KEEQSWHSCHLFGY-VXLYETTFSA-N 0 0 507.362 5.391 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095310 1072240635 /nfs/dbraw/zinc/24/06/35/1072240635.db2.gz HKXBJNDEAMJAMF-UJVJZFQOSA-N 0 0 686.171 5.452 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409327070 1072243138 /nfs/dbraw/zinc/24/31/38/1072243138.db2.gz HLTAFJAXMQHDSH-MTJSOVHGSA-N 0 0 651.891 6.679 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409094647 1072245354 /nfs/dbraw/zinc/24/53/54/1072245354.db2.gz FHUSMPKTTSJDTF-XGLKJEJJSA-N 0 0 648.770 5.847 40 5 KKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409093705 1072250814 /nfs/dbraw/zinc/25/08/14/1072250814.db2.gz AOXICFFOJTVIMK-LBFZPMSMSA-N 0 0 555.790 5.188 40 5 KKBBRN 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/nfs/dbraw/zinc/30/95/44/1072309544.db2.gz YGPQNBUBLNMMJI-LAUBZIAYSA-N 0 0 633.195 6.125 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409101569 1072313364 /nfs/dbraw/zinc/31/33/64/1072313364.db2.gz YJRLPBSGIBWLCW-RISWYLRJSA-N 0 0 696.605 5.199 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409099922 1072323787 /nfs/dbraw/zinc/32/37/87/1072323787.db2.gz RSGZDDRMDUNCED-ZVHZXABRSA-N 0 0 598.033 5.910 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409099453 1072325843 /nfs/dbraw/zinc/32/58/43/1072325843.db2.gz NOQFXMANZMUNKG-JEBSQDRDSA-N 0 0 741.664 6.515 40 5 KKBBRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409100294 1072321150 /nfs/dbraw/zinc/32/11/50/1072321150.db2.gz UYBVDSZWHGILQL-LSCVHKIXSA-N 0 0 504.848 6.347 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409098930 1072328078 /nfs/dbraw/zinc/32/80/78/1072328078.db2.gz RJSSYXWJWADILV-UQDCTOEPSA-N 0 0 605.116 5.542 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccccc1 ZINC000409336664 1072329302 /nfs/dbraw/zinc/32/93/02/1072329302.db2.gz USBKVMWMUCVHAX-URENDEMCSA-N 0 0 530.536 5.578 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409098046 1072333790 /nfs/dbraw/zinc/33/37/90/1072333790.db2.gz JYAQEKALCQCZGN-LMSRTUJASA-N 0 0 652.154 5.090 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098557 1072330849 /nfs/dbraw/zinc/33/08/49/1072330849.db2.gz QOYCMQZPLUUTOK-RISWYLRJSA-N 0 0 696.605 5.199 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409336061 1072333954 /nfs/dbraw/zinc/33/39/54/1072333954.db2.gz LOLWWEVPESJUQL-BUDNTJSZSA-N 0 0 769.583 5.585 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409098250 1072333220 /nfs/dbraw/zinc/33/32/20/1072333220.db2.gz OXUUVHOESLUFGZ-ZRYJBNJPSA-N 0 0 679.780 5.572 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409099239 1072326920 /nfs/dbraw/zinc/32/69/20/1072326920.db2.gz QZNJKEZBMIOQGX-KEBDBYFISA-N 0 0 518.740 6.231 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409105471 1072350301 /nfs/dbraw/zinc/35/03/01/1072350301.db2.gz KIMQROVUEXRKQX-MGXIGDRJSA-N 0 0 656.145 5.438 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409106001 1072346711 /nfs/dbraw/zinc/34/67/11/1072346711.db2.gz MBFPGQAWFQBGJQ-FQWZWQHVSA-N 0 0 686.171 5.447 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409333955 1072350657 /nfs/dbraw/zinc/35/06/57/1072350657.db2.gz GICMFPASCWIWLA-BMZLMQSUSA-N 0 0 756.840 6.224 40 5 KKBBRN O=C1NC(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409102851 1072363312 /nfs/dbraw/zinc/36/33/12/1072363312.db2.gz WHTWJPPTYLLGRQ-RGVLZGJSSA-N 0 0 528.746 5.687 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409102712 1072363813 /nfs/dbraw/zinc/36/38/13/1072363813.db2.gz ZJYDYLYIDJNOSI-HMXFMCBNSA-N 0 0 667.794 5.507 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330768 1072373765 /nfs/dbraw/zinc/37/37/65/1072373765.db2.gz LYAKISMWDLBFCT-DHRITJCHSA-N 0 0 592.586 6.102 40 5 KKBBRN O=C(O[C@H](c1nc2ccccc2[nH]1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000409331149 1072372367 /nfs/dbraw/zinc/37/23/67/1072372367.db2.gz CPAHQSYSOUYHFA-WMPKNSHKSA-N 0 0 592.524 5.752 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)O1 ZINC000409114610 1072381075 /nfs/dbraw/zinc/38/10/75/1072381075.db2.gz IOLPEOIKADHPOT-HSZRJFAPSA-N 0 0 752.299 6.449 40 5 KKBBRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113254 1072385202 /nfs/dbraw/zinc/38/52/02/1072385202.db2.gz FBQYXOAMMXDJBM-UHFFFAOYSA-N 0 0 504.970 7.630 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 ZINC000409112760 1072388500 /nfs/dbraw/zinc/38/85/00/1072388500.db2.gz CUYPSMVQGDWZPG-BKUYFWCQSA-N 0 0 570.383 6.084 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409108700 1072404741 /nfs/dbraw/zinc/40/47/41/1072404741.db2.gz XGUCEUQIDHWRPB-OXDPQRGISA-N 0 0 640.693 5.573 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409108510 1072407542 /nfs/dbraw/zinc/40/75/42/1072407542.db2.gz WJDUHKAQQSWNSB-PSAPEEBNSA-N 0 0 678.796 5.861 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000409120952 1072427595 /nfs/dbraw/zinc/42/75/95/1072427595.db2.gz UVASMDQBICFRHA-UHFFFAOYSA-N 0 0 533.597 7.403 40 5 KKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409121177 1072427601 /nfs/dbraw/zinc/42/76/01/1072427601.db2.gz WVJSYCIFSJXHLV-LBFZPMSMSA-N 0 0 600.241 5.297 40 5 KKBBRN COc1cc(Br)c([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC ZINC000409120661 1072429205 /nfs/dbraw/zinc/42/92/05/1072429205.db2.gz VDXYRWFFSCNUDU-LJAQVGFWSA-N 0 0 588.458 6.736 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409344482 1072431156 /nfs/dbraw/zinc/43/11/56/1072431156.db2.gz JMDGPVMJNWCTQL-NHDPSOOVSA-N 0 0 556.394 5.909 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 ZINC000409344254 1072433949 /nfs/dbraw/zinc/43/39/49/1072433949.db2.gz IEYQWDYDCYSYTP-WSDLNYQXSA-N 0 0 570.421 6.416 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000409119382 1072435599 /nfs/dbraw/zinc/43/55/99/1072435599.db2.gz WLCXXOACQIIQEY-XMMPIXPASA-N 0 0 579.403 6.002 40 5 KKBBRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000409342935 1072445417 /nfs/dbraw/zinc/44/54/17/1072445417.db2.gz CKDYYAFDRWRVFI-IBGZPJMESA-N 0 0 508.431 5.840 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409342626 1072447535 /nfs/dbraw/zinc/44/75/35/1072447535.db2.gz HACGZFULLQFKRW-UHFFFAOYSA-N 0 0 516.377 5.421 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409124349 1072467036 /nfs/dbraw/zinc/46/70/36/1072467036.db2.gz BNVKFFQFMDIDOM-KOEQRZSOSA-N 0 0 644.487 6.846 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137135 1072474733 /nfs/dbraw/zinc/47/47/33/1072474733.db2.gz WMFJMWQEFFPZIC-OAQYLSRUSA-N 0 0 575.489 5.135 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)N1Cc1ccccc1 ZINC000409135132 1072486090 /nfs/dbraw/zinc/48/60/90/1072486090.db2.gz QAPFPUQVRLLWCZ-UUWRZZSWSA-N 0 0 555.634 7.535 40 5 KKBBRN CC(=O)Oc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409135238 1072487778 /nfs/dbraw/zinc/48/77/78/1072487778.db2.gz XTSDOJXTCNRXCK-LJAQVGFWSA-N 0 0 507.546 5.882 40 5 KKBBRN O=C(Nc1ccc(I)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000409337798 1072491150 /nfs/dbraw/zinc/49/11/50/1072491150.db2.gz WAXPWUFNEURVIE-UHFFFAOYSA-N 0 0 527.325 5.736 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1Cc1ccccc1 ZINC000409134486 1072492306 /nfs/dbraw/zinc/49/23/06/1072492306.db2.gz UCPZTYBUMPYEIT-UUWRZZSWSA-N 0 0 624.524 8.842 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 ZINC000409133754 1072497047 /nfs/dbraw/zinc/49/70/47/1072497047.db2.gz RIGLGMMPIZMRAS-HZHRSRAPSA-N 0 0 505.508 5.964 40 5 KKBBRN CC(C)Oc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409133060 1072501951 /nfs/dbraw/zinc/50/19/51/1072501951.db2.gz ZEXFWUUEERBGTE-SSEXGKCCSA-N 0 0 507.590 6.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409356287 1072504544 /nfs/dbraw/zinc/50/45/44/1072504544.db2.gz FZTFDFKVVYXWSE-CCVBWGSMSA-N 0 0 855.876 6.457 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355806 1072507042 /nfs/dbraw/zinc/50/70/42/1072507042.db2.gz DZCPPSMTIKWBID-IVQFASICSA-N 0 0 606.704 5.326 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409131229 1072510670 /nfs/dbraw/zinc/51/06/70/1072510670.db2.gz NSHKRPPATYIJNZ-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409354712 1072513500 /nfs/dbraw/zinc/51/35/00/1072513500.db2.gz AJJLHHLFPCDJNW-UHFFFAOYSA-N 0 0 511.991 5.631 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409128424 1072525214 /nfs/dbraw/zinc/52/52/14/1072525214.db2.gz DYSFSLZLUIWEAE-LFVJCYFKSA-N 0 0 553.434 6.605 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409352183 1072530514 /nfs/dbraw/zinc/53/05/14/1072530514.db2.gz ZDUICQYESNELIX-LJQANCHMSA-N 0 0 571.874 5.541 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409351722 1072533352 /nfs/dbraw/zinc/53/33/52/1072533352.db2.gz YOVHNQGCTIPHON-HXUWFJFHSA-N 0 0 565.483 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143837 1072538967 /nfs/dbraw/zinc/53/89/67/1072538967.db2.gz IVDKGCJNWIWPKO-ZWTBYVTRSA-N 0 0 806.327 6.881 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143838 1072539036 /nfs/dbraw/zinc/53/90/36/1072539036.db2.gz IVNOFIWXEFRJHA-CCVBWGSMSA-N 0 0 761.876 6.772 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409143458 1072540365 /nfs/dbraw/zinc/54/03/65/1072540365.db2.gz FHQLMVMVRROAFV-ZJTZAHLKSA-N 0 0 724.659 5.816 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409143452 1072540373 /nfs/dbraw/zinc/54/03/73/1072540373.db2.gz FHQLMVMVRROAFV-UPWSPCOFSA-N 0 0 724.659 5.816 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409142698 1072547401 /nfs/dbraw/zinc/54/74/01/1072547401.db2.gz CVPODZYTDKVAGR-KMCFWPMWSA-N 0 0 694.839 5.732 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(I)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349623 1072548017 /nfs/dbraw/zinc/54/80/17/1072548017.db2.gz UJGXIHQZGKXWTN-KAEGSSFASA-N 0 0 718.573 5.623 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141989 1072549677 /nfs/dbraw/zinc/54/96/77/1072549677.db2.gz ABQQVKVQOUNJFL-JBDHCHCMSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000409141956 1072551047 /nfs/dbraw/zinc/55/10/47/1072551047.db2.gz KIRWHPMLTXLPSU-DBLMTGOPSA-N 0 0 655.783 5.463 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409141454 1072553241 /nfs/dbraw/zinc/55/32/41/1072553241.db2.gz HZGJQQDXWTUCNK-QFIPXVFZSA-N 0 0 644.577 5.950 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409348078 1072559522 /nfs/dbraw/zinc/55/95/22/1072559522.db2.gz OXJPRDAGMJKNEX-GKTKDVHMSA-N 0 0 638.529 5.901 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409145730 1072586072 /nfs/dbraw/zinc/58/60/72/1072586072.db2.gz PLENWGKPNMAUCD-MRWVFDTMSA-N 0 0 684.568 6.201 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl ZINC000409157251 1072591538 /nfs/dbraw/zinc/59/15/38/1072591538.db2.gz VBLNUFQVFFCMJY-ROTLSHHCSA-N 0 0 605.028 5.713 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409157217 1072591565 /nfs/dbraw/zinc/59/15/65/1072591565.db2.gz QJBILMJKRNYYKT-JJFYIABZSA-N 0 0 618.476 6.514 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 ZINC000409156593 1072594329 /nfs/dbraw/zinc/59/43/29/1072594329.db2.gz KPZWKWWLSUEQFC-LSFURLLWSA-N 0 0 587.488 5.810 40 5 KKBBRN O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000409156326 1072595246 /nfs/dbraw/zinc/59/52/46/1072595246.db2.gz FGOBNNLBGKBQJB-UHFFFAOYSA-N 0 0 523.596 5.334 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1C ZINC000409156200 1072596014 /nfs/dbraw/zinc/59/60/14/1072596014.db2.gz QZLNAWYQPQXAEZ-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl ZINC000409154710 1072603461 /nfs/dbraw/zinc/60/34/61/1072603461.db2.gz KSSXSWODBUQABM-YDZHTSKRSA-N 0 0 600.005 5.759 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409154644 1072605620 /nfs/dbraw/zinc/60/56/20/1072605620.db2.gz OUBNXYNFZIKKRO-OEAKJJBVSA-N 0 0 517.563 5.466 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409154448 1072606167 /nfs/dbraw/zinc/60/61/67/1072606167.db2.gz OLOABOYPDFOXKU-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 ZINC000409153962 1072608317 /nfs/dbraw/zinc/60/83/17/1072608317.db2.gz JJIMEPKCNSBGLL-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409153836 1072609219 /nfs/dbraw/zinc/60/92/19/1072609219.db2.gz NOQCVISZCFRIEL-MTJSOVHGSA-N 0 0 552.590 5.188 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409153455 1072611914 /nfs/dbraw/zinc/61/19/14/1072611914.db2.gz ICEAOTUXGWIOQZ-ZVHZXABRSA-N 0 0 614.032 6.149 40 5 KKBBRN CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000409359464 1072614076 /nfs/dbraw/zinc/61/40/76/1072614076.db2.gz JNYKLYDBEPAHFP-UHFFFAOYSA-N 0 0 526.471 5.986 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409152648 1072616499 /nfs/dbraw/zinc/61/64/99/1072616499.db2.gz KTBTXXULANCXME-NRFANRHFSA-N 0 0 581.482 5.380 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409152311 1072619820 /nfs/dbraw/zinc/61/98/20/1072619820.db2.gz DZGSMWHTRNYNJY-DHRITJCHSA-N 0 0 655.041 6.581 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409151343 1072623959 /nfs/dbraw/zinc/62/39/59/1072623959.db2.gz ARLVSRLMRDJOPS-OEAKJJBVSA-N 0 0 584.006 6.140 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409150704 1072628342 /nfs/dbraw/zinc/62/83/42/1072628342.db2.gz DEMSJPMZWFYNJS-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409150688 1072628409 /nfs/dbraw/zinc/62/84/09/1072628409.db2.gz DPRCUVLRJWVWGU-LGJNPRDNSA-N 0 0 708.067 7.700 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409376477 1072628972 /nfs/dbraw/zinc/62/89/72/1072628972.db2.gz AZVIMGMVBCVWSQ-OAQYLSRUSA-N 0 0 530.400 5.704 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000409150104 1072631353 /nfs/dbraw/zinc/63/13/53/1072631353.db2.gz AFKZREAPHZQEAI-YDZHTSKRSA-N 0 0 535.603 5.571 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149749 1072633487 /nfs/dbraw/zinc/63/34/87/1072633487.db2.gz PJWIYYXZDHLHNG-PYCBVSLESA-N 0 0 657.818 6.168 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374792 1072635406 /nfs/dbraw/zinc/63/54/06/1072635406.db2.gz ZKQFSJJYEUHWSC-CVKSISIWSA-N 0 0 575.643 6.173 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409374421 1072636845 /nfs/dbraw/zinc/63/68/45/1072636845.db2.gz PCLYMHMWIBIILC-QRVIBDJDSA-N 0 0 568.076 7.000 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409148634 1072641677 /nfs/dbraw/zinc/64/16/77/1072641677.db2.gz ZAGHHPBJVZXRBA-OEAKJJBVSA-N 0 0 531.030 6.843 40 5 KKBBRN COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409373307 1072641819 /nfs/dbraw/zinc/64/18/19/1072641819.db2.gz UAQZPNBIORIMRZ-UHFFFAOYSA-N 0 0 512.031 5.329 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000409373347 1072642321 /nfs/dbraw/zinc/64/23/21/1072642321.db2.gz HKCRLXDUIJRYAL-SRZZPIQSSA-N 0 0 525.970 6.108 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409371468 1072649723 /nfs/dbraw/zinc/64/97/23/1072649723.db2.gz COIQMOJCSMTEHA-FSJBWODESA-N 0 0 585.560 7.006 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409371053 1072650638 /nfs/dbraw/zinc/65/06/38/1072650638.db2.gz ASVYJAZJNMSNCI-WYMPLXKRSA-N 0 0 592.586 5.904 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409164141 1072661673 /nfs/dbraw/zinc/66/16/73/1072661673.db2.gz CZDJOBVCFZFADB-VULFUBBASA-N 0 0 640.070 6.078 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409163382 1072665342 /nfs/dbraw/zinc/66/53/42/1072665342.db2.gz QREOBFPNDSIYGO-MTJSOVHGSA-N 0 0 560.440 6.728 40 5 KKBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)c1 ZINC000409367604 1072669369 /nfs/dbraw/zinc/66/93/69/1072669369.db2.gz BLSUMHWYKHOWSO-UHFFFAOYSA-N 0 0 526.456 5.430 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Br)cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409162516 1072670125 /nfs/dbraw/zinc/67/01/25/1072670125.db2.gz WEEPTBONAKKZHP-PIXWUVMMSA-N 0 0 648.535 5.356 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409162330 1072671245 /nfs/dbraw/zinc/67/12/45/1072671245.db2.gz UFPIPAIRTWTSTP-OGMUYLFESA-N 0 0 605.672 5.439 40 5 KKBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409162093 1072673162 /nfs/dbraw/zinc/67/31/62/1072673162.db2.gz COXJQFWPTDJOHJ-XQNWCSQWSA-N 0 0 587.654 5.064 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000409161020 1072679815 /nfs/dbraw/zinc/67/98/15/1072679815.db2.gz SIVWYNVMOMPOJT-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409160475 1072682891 /nfs/dbraw/zinc/68/28/91/1072682891.db2.gz YRNJLEJFBKGEHN-FSJBWODESA-N 0 0 623.403 7.804 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)o1 ZINC000409386768 1072685109 /nfs/dbraw/zinc/68/51/09/1072685109.db2.gz RVUVOIHHMMVQBF-AFUMVMLFSA-N 0 0 544.541 5.943 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409159999 1072685646 /nfs/dbraw/zinc/68/56/46/1072685646.db2.gz OVQQLZWXKLWUIH-YDZHTSKRSA-N 0 0 618.451 6.794 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409159629 1072688192 /nfs/dbraw/zinc/68/81/92/1072688192.db2.gz RPROHSHZRDTOLB-DHRITJCHSA-N 0 0 678.041 7.691 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409159159 1072690531 /nfs/dbraw/zinc/69/05/31/1072690531.db2.gz ZFAFZZHNAQVEAB-XKZIYDEJSA-N 0 0 568.405 5.611 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409158336 1072694164 /nfs/dbraw/zinc/69/41/64/1072694164.db2.gz XEPYWNLQZSGLDX-CIAFOILYSA-N 0 0 555.952 5.360 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409158404 1072694533 /nfs/dbraw/zinc/69/45/33/1072694533.db2.gz YBHYCCMFXQIAFX-NHDPSOOVSA-N 0 0 556.394 5.909 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409157670 1072697739 /nfs/dbraw/zinc/69/77/39/1072697739.db2.gz NFRZTIPGMISBRF-QFEZKATASA-N 0 0 542.573 5.281 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409166645 1072703715 /nfs/dbraw/zinc/70/37/15/1072703715.db2.gz DMEHFNDADNBIJT-ZMOGYAJESA-N 0 0 578.559 5.677 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409167329 1072705423 /nfs/dbraw/zinc/70/54/23/1072705423.db2.gz IJRHOUKBNSTANN-ZVHZXABRSA-N 0 0 626.485 6.318 40 5 KKBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409176751 1072706909 /nfs/dbraw/zinc/70/69/09/1072706909.db2.gz WPTRCQXBAFKUAI-UHFFFAOYSA-N 0 0 562.512 5.168 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176784 1072707235 /nfs/dbraw/zinc/70/72/35/1072707235.db2.gz XRVWBFQRDUHTAH-AREMUKBSSA-N 0 0 559.512 6.343 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409176423 1072707587 /nfs/dbraw/zinc/70/75/87/1072707587.db2.gz MXFSRQHPKQJJFD-HHHXNRCGSA-N 0 0 536.496 5.185 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409176411 1072707595 /nfs/dbraw/zinc/70/75/95/1072707595.db2.gz MRWBLAJVJDSDKL-UHFFFAOYSA-N 0 0 518.232 5.323 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409176401 1072707653 /nfs/dbraw/zinc/70/76/53/1072707653.db2.gz MMERMJWENNNZEI-NDEPHWFRSA-N 0 0 529.570 5.658 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176549 1072711663 /nfs/dbraw/zinc/71/16/63/1072711663.db2.gz QXQMWGPULQMSPM-UHFFFAOYSA-N 0 0 679.560 5.853 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409380743 1072716472 /nfs/dbraw/zinc/71/64/72/1072716472.db2.gz AAUZJJSSFRCKDT-QFEZKATASA-N 0 0 608.470 5.558 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175183 1072717853 /nfs/dbraw/zinc/71/78/53/1072717853.db2.gz WZEJKIOVHQAVBY-UHFFFAOYSA-N 0 0 679.560 5.853 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1Cl ZINC000409174848 1072719226 /nfs/dbraw/zinc/71/92/26/1072719226.db2.gz WEXBRAZVDYWKBH-UHFFFAOYSA-N 0 0 535.723 5.721 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1C ZINC000409174789 1072720418 /nfs/dbraw/zinc/72/04/18/1072720418.db2.gz VDVWBIXQBATEOO-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409172930 1072729864 /nfs/dbraw/zinc/72/98/64/1072729864.db2.gz JLIQKXFFTSNHKA-LQDDJWCHSA-N 0 0 736.689 8.857 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 ZINC000409172666 1072731514 /nfs/dbraw/zinc/73/15/14/1072731514.db2.gz FIJJBCZMLNDWTN-SRZZPIQSSA-N 0 0 554.924 5.624 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000409172594 1072733059 /nfs/dbraw/zinc/73/30/59/1072733059.db2.gz DHRFOHWVDUEZJC-YDZHTSKRSA-N 0 0 535.603 5.571 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1 ZINC000409172052 1072735399 /nfs/dbraw/zinc/73/53/99/1072735399.db2.gz BGANEGPXXZCDGD-DEOSSOPVSA-N 0 0 560.661 5.762 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCc2ccccc2C1 ZINC000409388807 1072736129 /nfs/dbraw/zinc/73/61/29/1072736129.db2.gz XFBXSADDLMSPEB-CFRMEGHHSA-N 0 0 781.366 6.004 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl ZINC000409171286 1072741897 /nfs/dbraw/zinc/74/18/97/1072741897.db2.gz ZLUKBSBFDWSJCJ-MSXFZWOLSA-N 0 0 660.082 5.176 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409171316 1072741918 /nfs/dbraw/zinc/74/19/18/1072741918.db2.gz ZVNOGROZJQSOGF-KEBDBYFISA-N 0 0 540.941 5.119 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)cc1 ZINC000409170408 1072746072 /nfs/dbraw/zinc/74/60/72/1072746072.db2.gz VIXLXHIQIAGCPF-CFRMEGHHSA-N 0 0 530.537 5.412 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3Br)C2=O)o1 ZINC000409400326 1072746279 /nfs/dbraw/zinc/74/62/79/1072746279.db2.gz ONKSGRBXILVCAJ-MFOYZWKCSA-N 0 0 665.247 5.180 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399037 1072750675 /nfs/dbraw/zinc/75/06/75/1072750675.db2.gz HFQDMEKXXZAESC-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl ZINC000409168493 1072754802 /nfs/dbraw/zinc/75/48/02/1072754802.db2.gz MXUXIKJBNOZDLP-JFLMPSFJSA-N 0 0 654.097 6.468 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409406746 1072756743 /nfs/dbraw/zinc/75/67/43/1072756743.db2.gz CJTIMAQSXBGMNO-ZMAJVBOJSA-N 0 0 675.242 5.211 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409167885 1072758077 /nfs/dbraw/zinc/75/80/77/1072758077.db2.gz JTMMYSUJJNVSRK-VYYCAZPPSA-N 0 0 697.122 5.906 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409167899 1072758198 /nfs/dbraw/zinc/75/81/98/1072758198.db2.gz JZBVNITZMXUXNB-QRVIBDJDSA-N 0 0 535.603 5.571 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409167940 1072758560 /nfs/dbraw/zinc/75/85/60/1072758560.db2.gz JYQZGXKIHSTPGF-NDENLUEZSA-N 0 0 585.392 5.228 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409167549 1072759327 /nfs/dbraw/zinc/75/93/27/1072759327.db2.gz IPVZXBPWGCQGEK-YDZHTSKRSA-N 0 0 587.532 6.480 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184719 1072775866 /nfs/dbraw/zinc/77/58/66/1072775866.db2.gz ZWVNNQSJQCMSMW-UHFFFAOYSA-N 0 0 649.169 5.694 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409184694 1072775882 /nfs/dbraw/zinc/77/58/82/1072775882.db2.gz ZDGVDICGHUPNKW-YDZHTSKRSA-N 0 0 578.559 5.541 40 5 KKBBRN COc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 ZINC000409184557 1072776723 /nfs/dbraw/zinc/77/67/23/1072776723.db2.gz XZDIUISZZYMVOO-UHFFFAOYSA-N 0 0 506.514 6.968 40 5 KKBBRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1C ZINC000409183927 1072779952 /nfs/dbraw/zinc/77/99/52/1072779952.db2.gz VGVXCELWIJWGML-MUUNZHRXSA-N 0 0 534.524 5.793 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409183447 1072782588 /nfs/dbraw/zinc/78/25/88/1072782588.db2.gz SCRVKWROVWPKII-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409183474 1072783035 /nfs/dbraw/zinc/78/30/35/1072783035.db2.gz SRPUSYVTSJMESS-UHFFFAOYSA-N 0 0 620.570 7.802 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409183049 1072786229 /nfs/dbraw/zinc/78/62/29/1072786229.db2.gz QNMNJVKFOYLMHU-SANMLTNESA-N 0 0 546.513 5.117 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000409412515 1072786290 /nfs/dbraw/zinc/78/62/90/1072786290.db2.gz RLWJOEIJKQLHRB-UHFFFAOYSA-N 0 0 588.871 6.312 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409182832 1072788087 /nfs/dbraw/zinc/78/80/87/1072788087.db2.gz OZSNVBWGTMNKKM-UHFFFAOYSA-N 0 0 531.433 6.353 40 5 KKBBRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409182770 1072788948 /nfs/dbraw/zinc/78/89/48/1072788948.db2.gz ODAQTPMAFOCVBY-UHFFFAOYSA-N 0 0 551.580 7.120 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409182696 1072789767 /nfs/dbraw/zinc/78/97/67/1072789767.db2.gz NQVQNCWAOMZHEZ-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409182433 1072790596 /nfs/dbraw/zinc/79/05/96/1072790596.db2.gz MFCAFEIPOHITJY-MFKUBSTISA-N 0 0 547.589 5.420 40 5 KKBBRN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409182479 1072790649 /nfs/dbraw/zinc/79/06/49/1072790649.db2.gz LPJIGHVZYRORIK-UHFFFAOYSA-N 0 0 542.935 5.873 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409182406 1072792046 /nfs/dbraw/zinc/79/20/46/1072792046.db2.gz LPBDZCAFBXUBAN-SSEXGKCCSA-N 0 0 556.530 6.330 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409182262 1072792880 /nfs/dbraw/zinc/79/28/80/1072792880.db2.gz JOUNRTUVLPXOMR-UHFFFAOYSA-N 0 0 545.569 5.709 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000409181543 1072796476 /nfs/dbraw/zinc/79/64/76/1072796476.db2.gz CXKKSSVUCZTUKC-HHHXNRCGSA-N 0 0 605.386 6.492 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181591 1072796522 /nfs/dbraw/zinc/79/65/22/1072796522.db2.gz DCDACWMLMZAYKZ-UHFFFAOYSA-N 0 0 690.275 7.850 40 5 KKBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409181597 1072796979 /nfs/dbraw/zinc/79/69/79/1072796979.db2.gz DKRSUJWDCRKUMX-MUUNZHRXSA-N 0 0 534.524 5.739 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000409181315 1072798836 /nfs/dbraw/zinc/79/88/36/1072798836.db2.gz AXCYCFIYQSLPGE-UHFFFAOYSA-N 0 0 542.931 6.004 40 5 KKBBRN CCC(C)(C)c1ccc(OCCCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 ZINC000409181102 1072799438 /nfs/dbraw/zinc/79/94/38/1072799438.db2.gz WKWSCLMEXYERFJ-YTTGMZPUSA-N 0 0 559.703 8.296 40 5 KKBBRN CCC(C)(C)c1ccc(OCCCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 ZINC000409181101 1072801025 /nfs/dbraw/zinc/80/10/25/1072801025.db2.gz WKWSCLMEXYERFJ-JGCGQSQUSA-N 0 0 559.703 8.296 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409180842 1072801628 /nfs/dbraw/zinc/80/16/28/1072801628.db2.gz WKXKNRSXCLMBGN-UHFFFAOYSA-N 0 0 518.232 5.323 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180800 1072802984 /nfs/dbraw/zinc/80/29/84/1072802984.db2.gz RSPSCRPOYIMXSU-PLMBTIQCSA-N 0 0 627.122 5.671 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180573 1072803171 /nfs/dbraw/zinc/80/31/71/1072803171.db2.gz XBIVYKLTGJTVGI-KOHOJCOXSA-N 0 0 654.144 6.401 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409179942 1072806693 /nfs/dbraw/zinc/80/66/93/1072806693.db2.gz QPNHHPCPJVQUBB-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409179602 1072809639 /nfs/dbraw/zinc/80/96/39/1072809639.db2.gz QOJAVZRSFSXFKE-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2ccccc2C1=O ZINC000409179447 1072810455 /nfs/dbraw/zinc/81/04/55/1072810455.db2.gz NVXHPLIEZWOWOO-UHFFFAOYSA-N 0 0 508.486 5.853 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409179173 1072812297 /nfs/dbraw/zinc/81/22/97/1072812297.db2.gz KONKMUJAOQKBJM-UHFFFAOYSA-N 0 0 504.804 5.425 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409179033 1072813740 /nfs/dbraw/zinc/81/37/40/1072813740.db2.gz OXKLJMDYETYIAM-CSKPTYFESA-N 0 0 572.184 5.144 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409178571 1072815690 /nfs/dbraw/zinc/81/56/90/1072815690.db2.gz MXALBEIGGTWFPS-UHFFFAOYSA-N 0 0 712.667 9.594 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177917 1072819211 /nfs/dbraw/zinc/81/92/11/1072819211.db2.gz DTGASBZCOAEXGZ-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409177840 1072820896 /nfs/dbraw/zinc/82/08/96/1072820896.db2.gz HZMZUIYRNNQWQV-SANMLTNESA-N 0 0 540.915 5.830 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177707 1072821359 /nfs/dbraw/zinc/82/13/59/1072821359.db2.gz CGLMYWCYYNGESI-HHHXNRCGSA-N 0 0 565.494 5.393 40 5 KKBBRN COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 ZINC000409177571 1072822711 /nfs/dbraw/zinc/82/27/11/1072822711.db2.gz CDRUSCYKBLNGPC-MHZLTWQESA-N 0 0 536.496 5.185 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409192447 1072825620 /nfs/dbraw/zinc/82/56/20/1072825620.db2.gz CRVYGGZOYQWIOT-JPWOZWSLSA-N 0 0 548.935 5.619 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409192433 1072825778 /nfs/dbraw/zinc/82/57/78/1072825778.db2.gz XJTVXHIAUMLFCG-GSASKQFNSA-N 0 0 783.719 7.580 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409197161 1072828022 /nfs/dbraw/zinc/82/80/22/1072828022.db2.gz XJPTZDUKFYYMLC-KEBDBYFISA-N 0 0 592.811 5.954 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409195961 1072834569 /nfs/dbraw/zinc/83/45/69/1072834569.db2.gz XLBVPVRIYHILSF-CXUHLZMHSA-N 0 0 562.126 5.277 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc2c(c1)OCO2 ZINC000409195559 1072835903 /nfs/dbraw/zinc/83/59/03/1072835903.db2.gz WLUPNOOZLVEKQF-LSCVHKIXSA-N 0 0 616.174 5.412 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409195461 1072836336 /nfs/dbraw/zinc/83/63/36/1072836336.db2.gz UURVBZZCTSBRJY-YUEMOGKHSA-N 0 0 809.326 6.944 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409195155 1072838267 /nfs/dbraw/zinc/83/82/67/1072838267.db2.gz RRPLEHUESUKVFC-RGVLZGJSSA-N 0 0 535.792 7.375 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409195041 1072839086 /nfs/dbraw/zinc/83/90/86/1072839086.db2.gz SQSMIAMMOOCWSN-PNUVFATHSA-N 0 0 815.717 7.104 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000409194707 1072841188 /nfs/dbraw/zinc/84/11/88/1072841188.db2.gz QKAIVMFJMFOFPK-NAIWQIQESA-N 0 0 761.694 7.148 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409194372 1072844744 /nfs/dbraw/zinc/84/47/44/1072844744.db2.gz BCFRDWSUEWMCHE-UCQKPKSFSA-N 0 0 548.577 5.418 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409194117 1072845114 /nfs/dbraw/zinc/84/51/14/1072845114.db2.gz MYNCPVWIXSEEPY-LIUIRDFASA-N 0 0 737.603 5.678 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409193131 1072851250 /nfs/dbraw/zinc/85/12/50/1072851250.db2.gz CLTCVBBDJRCPFH-DJKKODMXSA-N 0 0 597.230 6.599 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000409192928 1072851691 /nfs/dbraw/zinc/85/16/91/1072851691.db2.gz HFEUAKSPAXFRSM-UAMLYEQYSA-N 0 0 747.255 5.807 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409192744 1072854165 /nfs/dbraw/zinc/85/41/65/1072854165.db2.gz ZZTOATBCHULICT-FSJBWODESA-N 0 0 589.851 7.229 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409192572 1072855320 /nfs/dbraw/zinc/85/53/20/1072855320.db2.gz CJZAJZQZIDZRMB-HRIDGTDGSA-N 0 0 796.125 6.561 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000409192540 1072855337 /nfs/dbraw/zinc/85/53/37/1072855337.db2.gz DSWYVXCWSUZUAK-XOBACGFXSA-N 0 0 699.623 6.011 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192566 1072855363 /nfs/dbraw/zinc/85/53/63/1072855363.db2.gz YRVLTLMKADOXKW-UNDLXJOSSA-N 0 0 731.256 6.187 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Br)cc1 ZINC000409192324 1072856796 /nfs/dbraw/zinc/85/67/96/1072856796.db2.gz ATZWBARMCHCPRG-GRSHGNNSSA-N 0 0 651.061 6.446 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192106 1072857429 /nfs/dbraw/zinc/85/74/29/1072857429.db2.gz ADCRCJQUQPONHW-GJKZIJEQSA-N 0 0 745.283 6.578 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192140 1072857707 /nfs/dbraw/zinc/85/77/07/1072857707.db2.gz AWKDPCBEJJZPBU-JLHDDXNDSA-N 0 0 731.256 6.187 40 5 KKBBRN COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409191807 1072859731 /nfs/dbraw/zinc/85/97/31/1072859731.db2.gz NSSKTWPPZNVFFD-JAIQZWGSSA-N 0 0 602.191 5.692 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409191124 1072865107 /nfs/dbraw/zinc/86/51/07/1072865107.db2.gz SSVSYXXQIWKZPH-GOQPZEPVSA-N 0 0 767.264 7.066 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409190751 1072866956 /nfs/dbraw/zinc/86/69/56/1072866956.db2.gz QLYQTGIMPNVGOQ-DJPQNNMESA-N 0 0 801.759 7.809 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409190754 1072867211 /nfs/dbraw/zinc/86/72/11/1072867211.db2.gz QLYQTGIMPNVGOQ-PQNXSAFSSA-N 0 0 801.759 7.809 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1 ZINC000409190409 1072870395 /nfs/dbraw/zinc/87/03/95/1072870395.db2.gz YNZRRARAMZKDKG-XTGQZIRNSA-N 0 0 749.274 6.927 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1 ZINC000409190408 1072870530 /nfs/dbraw/zinc/87/05/30/1072870530.db2.gz YNZRRARAMZKDKG-CVNAYVFFSA-N 0 0 749.274 6.927 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409190204 1072871512 /nfs/dbraw/zinc/87/15/12/1072871512.db2.gz MPHZKFPHHVWRSN-FVJLIQDKSA-N 0 0 776.344 7.989 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409189882 1072872690 /nfs/dbraw/zinc/87/26/90/1072872690.db2.gz UNIHXAVMIXOWPI-SOJUGJLBSA-N 0 0 770.680 7.034 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccco1 ZINC000409189784 1072873753 /nfs/dbraw/zinc/87/37/53/1072873753.db2.gz SRNPXTFCKJWBRE-SXGWCWSVSA-N 0 0 562.126 5.277 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409189356 1072877137 /nfs/dbraw/zinc/87/71/37/1072877137.db2.gz JXUJCGPTMFXCKS-PQRKSKNISA-N 0 0 717.229 5.798 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188231 1072883757 /nfs/dbraw/zinc/88/37/57/1072883757.db2.gz BWYNAEFWTAOGJF-RGVLZGJSSA-N 0 0 520.872 7.300 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409187911 1072885202 /nfs/dbraw/zinc/88/52/02/1072885202.db2.gz CZJLNDPQPPIPHH-VEJJZHSVSA-N 0 0 563.360 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409187772 1072885857 /nfs/dbraw/zinc/88/58/57/1072885857.db2.gz BVPODJOAGVHLAD-PYCBVSLESA-N 0 0 777.281 5.815 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)C1=O ZINC000409206670 1072889421 /nfs/dbraw/zinc/88/94/21/1072889421.db2.gz VMTALYYPNKHOGP-CIAFOILYSA-N 0 0 568.526 6.184 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409206351 1072893321 /nfs/dbraw/zinc/89/33/21/1072893321.db2.gz VCSJITSRZGVXKW-ODCIPOBUSA-N 0 0 735.716 8.259 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205170 1072900972 /nfs/dbraw/zinc/90/09/72/1072900972.db2.gz FWGRTODTIAEWHM-OEAKJJBVSA-N 0 0 521.507 5.583 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409204203 1072906180 /nfs/dbraw/zinc/90/61/80/1072906180.db2.gz DLXHBBVBZFJHLZ-MNUWJXFPSA-N 0 0 579.425 5.323 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1Cl ZINC000409198352 1072930055 /nfs/dbraw/zinc/93/00/55/1072930055.db2.gz DKPDPTDPQGPRGN-BNCCVWRVSA-N 0 0 500.747 5.538 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198285 1072931470 /nfs/dbraw/zinc/93/14/70/1072931470.db2.gz BQQCEUCAQWYBJZ-FSJBWODESA-N 0 0 555.406 6.181 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409197857 1072933749 /nfs/dbraw/zinc/93/37/49/1072933749.db2.gz QGSGHMGNSRHEFL-AUEPDCJTSA-N 0 0 680.411 6.615 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409208561 1072937559 /nfs/dbraw/zinc/93/75/59/1072937559.db2.gz GTTZYRYHCWLKCH-LSHDLFTRSA-N 0 0 575.824 6.839 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409211412 1072962222 /nfs/dbraw/zinc/96/22/22/1072962222.db2.gz NSBNZCHLSVCMKM-KEBDBYFISA-N 0 0 624.694 7.593 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409226624 1072973551 /nfs/dbraw/zinc/97/35/51/1072973551.db2.gz VPIRBRFEGLVPSQ-LSFURLLWSA-N 0 0 602.940 5.771 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409224596 1072983368 /nfs/dbraw/zinc/98/33/68/1072983368.db2.gz IJBNKZFZCGFRCM-CIAFOILYSA-N 0 0 538.354 5.038 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409224015 1072985833 /nfs/dbraw/zinc/98/58/33/1072985833.db2.gz IEOWJRYBTYMAFU-WYMPLXKRSA-N 0 0 583.416 5.864 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc(Br)cc1 ZINC000409222145 1072994469 /nfs/dbraw/zinc/99/44/69/1072994469.db2.gz AFCPSKZMEQVTFS-YDZHTSKRSA-N 0 0 553.390 5.856 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222199 1072994480 /nfs/dbraw/zinc/99/44/80/1072994480.db2.gz BARCXFDLZWPHPF-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc(Br)cc1 ZINC000409220288 1073005151 /nfs/dbraw/zinc/00/51/51/1073005151.db2.gz WHEGORHTTPFJEH-KEBDBYFISA-N 0 0 592.221 6.299 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 ZINC000409219998 1073006450 /nfs/dbraw/zinc/00/64/50/1073006450.db2.gz XEIZWXZFNCPNSG-QRVIBDJDSA-N 0 0 553.390 5.856 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409219601 1073007701 /nfs/dbraw/zinc/00/77/01/1073007701.db2.gz RZVQNMADWJNDCR-ZMOGYAJESA-N 0 0 549.517 5.613 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217892 1073014848 /nfs/dbraw/zinc/01/48/48/1073014848.db2.gz YDRUTQWYLYDVPK-WSDLNYQXSA-N 0 0 545.400 7.120 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409217610 1073014894 /nfs/dbraw/zinc/01/48/94/1073014894.db2.gz QTDWMJHCIJKYCM-SRZZPIQSSA-N 0 0 648.239 5.369 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409229566 1073020622 /nfs/dbraw/zinc/02/06/22/1073020622.db2.gz RDNBRKJCARUFNG-WOJGMQOQSA-N 0 0 541.807 5.663 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 ZINC000409236712 1073037785 /nfs/dbraw/zinc/03/77/85/1073037785.db2.gz GSRVOPHCKSEJEV-SSDVNMTOSA-N 0 0 586.395 5.750 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409236077 1073041006 /nfs/dbraw/zinc/04/10/06/1073041006.db2.gz RPLZMZCSONTXFR-ZVHZXABRSA-N 0 0 568.007 5.901 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409235743 1073042412 /nfs/dbraw/zinc/04/24/12/1073042412.db2.gz QDPJXHOHPBQWFX-WSDLNYQXSA-N 0 0 771.327 6.067 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409235003 1073045965 /nfs/dbraw/zinc/04/59/65/1073045965.db2.gz ALUUOWAMMROTFI-WSDLNYQXSA-N 0 0 632.876 6.273 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409233804 1073054564 /nfs/dbraw/zinc/05/45/64/1073054564.db2.gz XLXQDEUHUNMENV-WSDLNYQXSA-N 0 0 601.251 6.100 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409232054 1073063448 /nfs/dbraw/zinc/06/34/48/1073063448.db2.gz MTQSHZHMEDBNQZ-WSDLNYQXSA-N 0 0 602.850 6.265 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409230499 1073069342 /nfs/dbraw/zinc/06/93/42/1073069342.db2.gz YWSJAGUZFNEINS-OEAKJJBVSA-N 0 0 579.407 5.030 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409246336 1073077676 /nfs/dbraw/zinc/07/76/76/1073077676.db2.gz BFKSXKOBVUACOR-LICLKQGHSA-N 0 0 650.232 5.829 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409245697 1073082306 /nfs/dbraw/zinc/08/23/06/1073082306.db2.gz XRZSOMMQFKPCJY-SSDVNMTOSA-N 0 0 552.381 5.346 40 5 KKBBRN O=C1NC(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409243995 1073091031 /nfs/dbraw/zinc/09/10/31/1073091031.db2.gz WBSKDBFZRRBLAI-RGVLZGJSSA-N 0 0 607.642 6.450 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409241690 1073101271 /nfs/dbraw/zinc/10/12/71/1073101271.db2.gz SZFYPHXKGKSWPO-YDZHTSKRSA-N 0 0 645.431 5.462 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409240767 1073106164 /nfs/dbraw/zinc/10/61/64/1073106164.db2.gz HTOQJXXKFWUEPB-SRZZPIQSSA-N 0 0 577.924 6.734 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409240800 1073106669 /nfs/dbraw/zinc/10/66/69/1073106669.db2.gz IBFVAAAJOCULHN-VXLYETTFSA-N 0 0 507.362 5.391 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409238884 1073117874 /nfs/dbraw/zinc/11/78/74/1073117874.db2.gz LYBZLLGPESCAMJ-FOKLQQMPSA-N 0 0 632.876 6.273 40 5 KKBBRN O=C1NC(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409237845 1073124417 /nfs/dbraw/zinc/12/44/17/1073124417.db2.gz JYECJHOJTOCVCU-RGVLZGJSSA-N 0 0 701.642 6.134 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409249186 1073143286 /nfs/dbraw/zinc/14/32/86/1073143286.db2.gz MUBGWJFETZBEHX-BHGWPJFGSA-N 0 0 630.448 6.149 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl ZINC000409248811 1073146608 /nfs/dbraw/zinc/14/66/08/1073146608.db2.gz RAPTXOQIWVDHMU-WSDLNYQXSA-N 0 0 602.850 6.265 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl ZINC000409256587 1073155345 /nfs/dbraw/zinc/15/53/45/1073155345.db2.gz MEUPYEGYDJFIPT-AUEPDCJTSA-N 0 0 614.976 5.641 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409256282 1073163002 /nfs/dbraw/zinc/16/30/02/1073163002.db2.gz KTKBHYOMLSTFLY-CFRMEGHHSA-N 0 0 630.416 5.706 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)nc2ccccc12 ZINC000409254151 1073175105 /nfs/dbraw/zinc/17/51/05/1073175105.db2.gz DHIVLMCMOJWSSP-UHFFFAOYSA-N 0 0 531.160 6.015 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409253676 1073178587 /nfs/dbraw/zinc/17/85/87/1073178587.db2.gz GKDZMSGHVADLJP-UHFFFAOYSA-N 0 0 543.355 6.314 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409252249 1073188273 /nfs/dbraw/zinc/18/82/73/1073188273.db2.gz CXDNFDBRLZGCDZ-QRVIBDJDSA-N 0 0 582.432 5.920 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409251824 1073191021 /nfs/dbraw/zinc/19/10/21/1073191021.db2.gz WMOCWASMUZMHNR-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN CCCCCCOC(=O)[C@@]1(O)CC2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC001560408784 1073195303 /nfs/dbraw/zinc/19/53/03/1073195303.db2.gz JKNGCUHFACUCGJ-ZWXJPIIXSA-N 0 0 536.608 5.445 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409266557 1073200621 /nfs/dbraw/zinc/20/06/21/1073200621.db2.gz ZXRPYRKHOZNONL-SSDVNMTOSA-N 0 0 650.276 6.757 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409266377 1073201551 /nfs/dbraw/zinc/20/15/51/1073201551.db2.gz YIGIYOVZRZJPED-WYMPLXKRSA-N 0 0 617.514 6.632 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409264714 1073211270 /nfs/dbraw/zinc/21/12/70/1073211270.db2.gz PQCQJGLJJVKEBP-FBHDLOMBSA-N 0 0 715.298 7.914 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409264126 1073214428 /nfs/dbraw/zinc/21/44/28/1073214428.db2.gz OVJRLBJNZJYNJH-LQKURTRISA-N 0 0 694.503 7.250 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409263457 1073217289 /nfs/dbraw/zinc/21/72/89/1073217289.db2.gz MTXNNGDUOZUTLP-NVMNQCDNSA-N 0 0 516.894 5.215 40 5 KKBBRN COc1cc(C=O)ccc1OCc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)c1 ZINC000409261503 1073227272 /nfs/dbraw/zinc/22/72/72/1073227272.db2.gz CNIVCXDYYSMVFA-KYHGBAKBSA-N 0 0 640.670 6.819 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409259089 1073241472 /nfs/dbraw/zinc/24/14/72/1073241472.db2.gz XIFQRBPCLAHERA-LSFURLLWSA-N 0 0 686.846 7.505 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409272236 1073256900 /nfs/dbraw/zinc/25/69/00/1073256900.db2.gz MUAMCWLBOWFLNZ-UCQKPKSFSA-N 0 0 510.955 6.467 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409272069 1073257407 /nfs/dbraw/zinc/25/74/07/1073257407.db2.gz OHCXMYMONVHPQW-AFUMVMLFSA-N 0 0 640.512 6.627 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409271866 1073260433 /nfs/dbraw/zinc/26/04/33/1073260433.db2.gz DHUTZCNEPLUFGW-ZMOGYAJESA-N 0 0 594.558 5.378 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409271088 1073265485 /nfs/dbraw/zinc/26/54/85/1073265485.db2.gz IWWWHLIRDQGAQO-VULFUBBASA-N 0 0 575.599 5.157 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270988 1073266786 /nfs/dbraw/zinc/26/67/86/1073266786.db2.gz JCYCSDJKXJUXEY-LSFURLLWSA-N 0 0 701.176 7.925 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409269591 1073275236 /nfs/dbraw/zinc/27/52/36/1073275236.db2.gz CXMNQOLQMLVTAU-FOKLQQMPSA-N 0 0 580.487 5.131 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409269593 1073275324 /nfs/dbraw/zinc/27/53/24/1073275324.db2.gz CYJZYZAWHMIMRV-LQKURTRISA-N 0 0 554.580 6.255 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409269556 1073276775 /nfs/dbraw/zinc/27/67/75/1073276775.db2.gz CPKMFPUZKDVNPH-YOWYGEOISA-N 0 0 643.165 5.734 40 5 KKBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409269321 1073278307 /nfs/dbraw/zinc/27/83/07/1073278307.db2.gz BEOPBMJKXUZRTD-WYMPLXKRSA-N 0 0 556.955 5.894 40 5 KKBBRN COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 ZINC000409268559 1073282904 /nfs/dbraw/zinc/28/29/04/1073282904.db2.gz VUEQMULAWCUIFV-FMCGGJTJSA-N 0 0 689.440 5.462 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409268384 1073285208 /nfs/dbraw/zinc/28/52/08/1073285208.db2.gz ZKRIVEOHOOHMHZ-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409267815 1073288384 /nfs/dbraw/zinc/28/83/84/1073288384.db2.gz WJWDLPSVPXTKNO-UFFVCSGVSA-N 0 0 641.502 6.897 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409276021 1073293781 /nfs/dbraw/zinc/29/37/81/1073293781.db2.gz NWRPJAOESLGDTQ-UUYOSTAYSA-N 0 0 541.925 6.588 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409275837 1073296742 /nfs/dbraw/zinc/29/67/42/1073296742.db2.gz LVAOFDXVSQXVEC-RGVLZGJSSA-N 0 0 502.426 5.793 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409275442 1073299116 /nfs/dbraw/zinc/29/91/16/1073299116.db2.gz USKHCCVCHGGZOO-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1C ZINC000409275172 1073302281 /nfs/dbraw/zinc/30/22/81/1073302281.db2.gz SFAZRGWABDZKFV-FMCGGJTJSA-N 0 0 505.552 5.763 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 ZINC000409275105 1073302760 /nfs/dbraw/zinc/30/27/60/1073302760.db2.gz YLLKJWKGOTWCAZ-ZMOGYAJESA-N 0 0 583.544 6.027 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCc2ccccc2C1 ZINC000409275123 1073303103 /nfs/dbraw/zinc/30/31/03/1073303103.db2.gz YUSZYUPEOZDHSN-DICXZTSXSA-N 0 0 552.612 5.219 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)cc1F ZINC000409274954 1073304773 /nfs/dbraw/zinc/30/47/73/1073304773.db2.gz RLBISIFFEQRTRI-SSDVNMTOSA-N 0 0 525.489 5.127 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274528 1073309699 /nfs/dbraw/zinc/30/96/99/1073309699.db2.gz PCHHBXZULIBXEQ-MXAYSNPKSA-N 0 0 542.529 5.425 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1C ZINC000409273689 1073317861 /nfs/dbraw/zinc/31/78/61/1073317861.db2.gz LBLXXDPXOHNWNT-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409273417 1073320173 /nfs/dbraw/zinc/32/01/73/1073320173.db2.gz XVSPZIXBZJLGDQ-DHRITJCHSA-N 0 0 613.570 6.036 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409276906 1073324940 /nfs/dbraw/zinc/32/49/40/1073324940.db2.gz XVSSLGPOKOWWIJ-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409276663 1073328320 /nfs/dbraw/zinc/32/83/20/1073328320.db2.gz UVUSTEAMHIPMMR-XKZIYDEJSA-N 0 0 534.550 5.083 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409276688 1073328708 /nfs/dbraw/zinc/32/87/08/1073328708.db2.gz VCNKRNVTPOVYEA-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409276379 1073331627 /nfs/dbraw/zinc/33/16/27/1073331627.db2.gz QIPJUWFREXAOCB-WSDLNYQXSA-N 0 0 587.532 5.665 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273247 1073334106 /nfs/dbraw/zinc/33/41/06/1073334106.db2.gz JJVCNOWDUCJCTL-DHRITJCHSA-N 0 0 531.977 6.170 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409272848 1073336176 /nfs/dbraw/zinc/33/61/76/1073336176.db2.gz HPRNTQLZZBATFQ-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)c(C)c1 ZINC000059331877 193895738 /nfs/dbraw/zinc/89/57/38/193895738.db2.gz BPQIPRUOEGBUND-UHFFFAOYSA-N 0 0 524.581 6.304 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000059247860 193893108 /nfs/dbraw/zinc/89/31/08/193893108.db2.gz CZMBYWOIBVUOMW-AYTQJLEDSA-N 0 0 577.618 5.104 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331652 193894742 /nfs/dbraw/zinc/89/47/42/193894742.db2.gz OAJYJCYRVZYCDK-UHFFFAOYSA-N 0 0 521.565 5.331 40 5 KKBBRN O=[N+]([O-])c1ccc2c3c1C(c1ccccc1)(c1ccccc1)CCN3CCC2(c1ccccc1)c1ccccc1 ZINC000059475079 193900178 /nfs/dbraw/zinc/90/01/78/193900178.db2.gz KCBLXEXUGHOBKD-UHFFFAOYSA-N 0 0 522.648 7.877 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000100368507 193904959 /nfs/dbraw/zinc/90/49/59/193904959.db2.gz DSYRXDIXZLHLQO-UCQKPKSFSA-N 0 0 535.603 5.738 40 5 KKBBRN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463645 193899764 /nfs/dbraw/zinc/89/97/64/193899764.db2.gz YXZGKFWYFQWZIM-UHFFFAOYSA-N 0 0 501.608 7.433 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224509913 193953880 /nfs/dbraw/zinc/95/38/80/193953880.db2.gz SNWQPYFLDFOIPX-GOTSBHOMSA-N 0 0 521.396 6.189 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCCCC1 ZINC000409382036 195513673 /nfs/dbraw/zinc/51/36/73/195513673.db2.gz KUMWGCRMDQLQQC-NDENLUEZSA-N 0 0 733.322 5.432 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1Cl ZINC000409232846 195510934 /nfs/dbraw/zinc/51/09/34/195510934.db2.gz BUXXLIHBXHYBCI-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN 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556.619 5.904 40 5 KKBBRN COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000073351815 553653432 /nfs/dbraw/zinc/65/34/32/553653432.db2.gz XITQLCWFMHHBLB-UHFFFAOYSA-N 0 0 528.565 5.124 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020611043 553679061 /nfs/dbraw/zinc/67/90/61/553679061.db2.gz HJWOZAWJHPEIKI-UHFFFAOYSA-N 0 0 524.581 6.304 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020969049 553704832 /nfs/dbraw/zinc/70/48/32/553704832.db2.gz KKWJJOKMXYWCLN-UHFFFAOYSA-N 0 0 520.545 6.159 40 5 KKBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)ccc1[N+](=O)[O-] ZINC000022830222 553754703 /nfs/dbraw/zinc/75/47/03/553754703.db2.gz IYYYGSJZGRQECZ-UHFFFAOYSA-N 0 0 506.431 5.178 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022833452 553756056 /nfs/dbraw/zinc/75/60/56/553756056.db2.gz UDQIUAPMDINNRM-AWEZNQCLSA-N 0 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AAPYYGUYUWLTHE-XYOKQWHBSA-N 0 0 504.329 7.515 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Br ZINC000032115498 553864741 /nfs/dbraw/zinc/86/47/41/553864741.db2.gz NDZZGNVLYSEYQY-UHFFFAOYSA-N 0 0 508.662 6.349 40 5 KKBBRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000032124588 553865559 /nfs/dbraw/zinc/86/55/59/553865559.db2.gz MATBKYFGFRNPED-RGVLZGJSSA-N 0 0 503.388 7.294 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000033575626 553963217 /nfs/dbraw/zinc/96/32/17/553963217.db2.gz VGBBXJUWSWAXFG-OMLVZSMESA-N 0 0 514.028 6.573 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1OC ZINC000033630706 553965276 /nfs/dbraw/zinc/96/52/76/553965276.db2.gz NKJVRJNYQOKWPS-UHFFFAOYSA-N 0 0 510.553 5.122 40 5 KKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000033680262 553967834 /nfs/dbraw/zinc/96/78/34/553967834.db2.gz AJESRQFHMUWDBQ-MRXNPFEDSA-N 0 0 512.031 6.965 40 5 KKBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033749912 553972126 /nfs/dbraw/zinc/97/21/26/553972126.db2.gz GRJFAINEHRGPED-FVJKZCHWSA-N 0 0 514.619 5.023 40 5 KKBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000097979938 553983689 /nfs/dbraw/zinc/98/36/89/553983689.db2.gz LWMNBOFUVOGBED-DGICKGFZSA-N 0 0 521.476 5.446 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097983323 554008704 /nfs/dbraw/zinc/00/87/04/554008704.db2.gz AKSZYOCCHXPUBR-RFLJJRCNSA-N 0 0 570.602 6.737 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000097983826 554011902 /nfs/dbraw/zinc/01/19/02/554011902.db2.gz UVMLGXOHJPBVFH-ZHPYGUFWSA-N 0 0 558.585 6.146 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000097983822 554011953 /nfs/dbraw/zinc/01/19/53/554011953.db2.gz BKOYERJOPBZSCY-RDEJXQTHSA-N 0 0 534.663 5.991 40 5 KKBBRN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097984284 554015467 /nfs/dbraw/zinc/01/54/67/554015467.db2.gz WCWIJPQJVBGTJF-ZDMAWHQDSA-N 0 0 530.512 5.844 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCCC3)cc2Br)cc1 ZINC000034877776 554022828 /nfs/dbraw/zinc/02/28/28/554022828.db2.gz QCDYPOSJIIBURW-UHFFFAOYSA-N 0 0 500.212 5.470 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000100140592 554227681 /nfs/dbraw/zinc/22/76/81/554227681.db2.gz MOIJLOMJSBNUMK-UHFFFAOYSA-N 0 0 547.533 7.925 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@@H]2C)cc1 ZINC000100159667 554234024 /nfs/dbraw/zinc/23/40/24/554234024.db2.gz RDGAWNMUPQWZPI-HRQNQYEESA-N 0 0 573.693 8.001 40 5 KKBBRN O=C(CN(Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100241687 554260759 /nfs/dbraw/zinc/26/07/59/554260759.db2.gz RYYDUDCCUBBBGV-OAQYLSRUSA-N 0 0 553.786 5.638 40 5 KKBBRN O=C(COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100283201 554277238 /nfs/dbraw/zinc/27/72/38/554277238.db2.gz BEYOUJBAHYLBME-UHFFFAOYSA-N 0 0 568.494 5.249 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039750523 554280002 /nfs/dbraw/zinc/28/00/02/554280002.db2.gz UUVUZMBLVNADBT-VGOFMYFVSA-N 0 0 505.943 5.671 40 5 KKBBRN O=c1c2ccc3c4c(ccc(c24)c(=O)n1C(c1ccccc1)c1ccccc1)c(=O)n(C(c1ccccc1)c1ccccc1)c3=O ZINC000100286025 554280163 /nfs/dbraw/zinc/28/01/63/554280163.db2.gz GTKAMUHWWUFCJH-UHFFFAOYSA-N 0 0 598.658 6.341 40 5 KKBBRN O=c1c2ccc3c4c(ccc(c24)c(=O)n1C1CCCCCCCCCCC1)c(=O)n(C1CCCCCCCCCCC1)c3=O ZINC000100286027 554280188 /nfs/dbraw/zinc/28/01/88/554280188.db2.gz RRVWTJQKBULFLV-UHFFFAOYSA-N 0 0 598.828 8.757 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000039929437 554281288 /nfs/dbraw/zinc/28/12/88/554281288.db2.gz CMUCQARTKDEGLC-UHFFFAOYSA-N 0 0 500.898 5.904 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000100300959 554291121 /nfs/dbraw/zinc/29/11/21/554291121.db2.gz PZRIXXXUSRIHDX-UHFFFAOYSA-N 0 0 554.918 6.721 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000100316621 554303054 /nfs/dbraw/zinc/30/30/54/554303054.db2.gz ZSBWFVANSWJGLF-OQRGYWNNSA-N 0 0 535.025 7.096 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000044802876 554303564 /nfs/dbraw/zinc/30/35/64/554303564.db2.gz CCINRIBPHGDYBG-UHFFFAOYSA-N 0 0 517.563 5.008 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000100319791 554304506 /nfs/dbraw/zinc/30/45/06/554304506.db2.gz RQTXRZFZSIDXKC-QPJBPQEWSA-N 0 0 606.125 5.820 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1Cl ZINC000100343411 554329353 /nfs/dbraw/zinc/32/93/53/554329353.db2.gz CIIHOJBWFMLJLD-BHGWPJFGSA-N 0 0 521.957 6.627 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100350730 554330887 /nfs/dbraw/zinc/33/08/87/554330887.db2.gz ZYZAVIHVKXLAHP-UHFFFAOYSA-N 0 0 621.089 9.343 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000100357708 554338178 /nfs/dbraw/zinc/33/81/78/554338178.db2.gz VKXKTXOJGOMSOY-FSJBWODESA-N 0 0 545.400 6.726 40 5 KKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] ZINC000100358554 554339452 /nfs/dbraw/zinc/33/94/52/554339452.db2.gz COTYMXOKVWPLAB-UHFFFAOYSA-N 0 0 608.186 6.421 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000100360237 554342664 /nfs/dbraw/zinc/34/26/64/554342664.db2.gz FFPIRLRMRJGHEC-UHFFFAOYSA-N 0 0 598.578 6.676 40 5 KKBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000057313944 554354302 /nfs/dbraw/zinc/35/43/02/554354302.db2.gz OFOOGRWSJCIJFL-UHFFFAOYSA-N 0 0 521.426 5.673 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000057314071 554354345 /nfs/dbraw/zinc/35/43/45/554354345.db2.gz IJRXNTSYKSEIRE-UHFFFAOYSA-N 0 0 504.974 6.853 40 5 KKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1Cl ZINC000057315850 554354609 /nfs/dbraw/zinc/35/46/09/554354609.db2.gz LVIZEPVXCDHPBY-UHFFFAOYSA-N 0 0 517.007 5.080 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000100369601 554355883 /nfs/dbraw/zinc/35/58/83/554355883.db2.gz BNBFQIBEVLCQTA-NNAGEYCMSA-N 0 0 615.733 5.565 40 5 KKBBRN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390706 554366516 /nfs/dbraw/zinc/36/65/16/554366516.db2.gz LFIIYFNPEOPSCZ-SZPZYZBQSA-N 0 0 534.952 6.077 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000100391057 554367015 /nfs/dbraw/zinc/36/70/15/554367015.db2.gz IBBQLBXXABFNKA-CMUPFOSCSA-N 0 0 558.974 6.099 40 5 KKBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)c2ccccc2C(C2=CC=C(Cl)CC2)=NN3c2ccccc2)cc1 ZINC000059090066 554372274 /nfs/dbraw/zinc/37/22/74/554372274.db2.gz AGCBFZOEDIODJW-MGBGTMOVSA-N 0 0 590.108 8.388 40 5 KKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331563 554389388 /nfs/dbraw/zinc/38/93/88/554389388.db2.gz GBWOXSVHBJZZQX-UHFFFAOYSA-N 0 0 517.636 5.907 40 5 KKBBRN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccc(C)cc32)cc1 ZINC000059428187 554395560 /nfs/dbraw/zinc/39/55/60/554395560.db2.gz BXVUBHSJAIYOKE-LJAQVGFWSA-N 0 0 519.066 8.215 40 5 KKBBRN O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nc2ccccc2s1 ZINC000059488701 554398375 /nfs/dbraw/zinc/39/83/75/554398375.db2.gz VBHOFEQMJSFSBG-XMMPIXPASA-N 0 0 511.592 6.154 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000059489713 554398752 /nfs/dbraw/zinc/39/87/52/554398752.db2.gz PYXPVRAHXNGHSS-UHFFFAOYSA-N 0 0 501.611 5.615 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@H](O)N2[C@H]1c1ccc(Cl)cc1 ZINC000100545015 554413744 /nfs/dbraw/zinc/41/37/44/554413744.db2.gz GQXFPRLTTCKRAU-ROESIKERSA-N 0 0 586.453 6.818 40 5 KKBBRN O=C(CSc1nnc(-c2cccc(Br)c2)o1)N(Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000100565093 554419449 /nfs/dbraw/zinc/41/94/49/554419449.db2.gz HYZQGZCQIIKHJZ-UHFFFAOYSA-N 0 0 531.413 5.794 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059652728 554420153 /nfs/dbraw/zinc/42/01/53/554420153.db2.gz AVYPTHCNNLITPJ-UHFFFAOYSA-N 0 0 616.520 5.603 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000059888424 554471195 /nfs/dbraw/zinc/47/11/95/554471195.db2.gz XYCPGNFHWPRRKH-UHFFFAOYSA-N 0 0 615.089 5.191 40 5 KKBBRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060060525 554499428 /nfs/dbraw/zinc/49/94/28/554499428.db2.gz ISIGBPVUQAITAT-SFHVURJKSA-N 0 0 562.044 5.037 40 5 KKBBRN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 ZINC000100912648 554518303 /nfs/dbraw/zinc/51/83/03/554518303.db2.gz SRBGMCBGEUXJBO-ZDXQCDESSA-N 0 0 610.069 5.381 40 5 KKBBRN O=C(CSc1nc2ccccc2s1)NC(NC(=O)CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000100913083 554518619 /nfs/dbraw/zinc/51/86/19/554518619.db2.gz XKKGMSJQPFBHCU-UHFFFAOYSA-N 0 0 581.726 5.630 40 5 KKBBRN CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+]([O-])(CC)CC)c(I)c1 ZINC000067664828 554532739 /nfs/dbraw/zinc/53/27/39/554532739.db2.gz HFKWXDIWKIYSGI-UHFFFAOYSA-N 0 0 661.318 6.949 40 5 in-vitro KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100949406 554536978 /nfs/dbraw/zinc/53/69/78/554536978.db2.gz UUMGVPAVMBFNCK-YVBHXKDBSA-N 0 0 613.095 5.363 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100957596 554540468 /nfs/dbraw/zinc/54/04/68/554540468.db2.gz WNBYORQLVDUZKP-UHFFFAOYSA-N 0 0 553.381 5.134 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000100957915 554540844 /nfs/dbraw/zinc/54/08/44/554540844.db2.gz KWBGBPGIVIDWPE-UHFFFAOYSA-N 0 0 529.397 5.868 40 5 KKBBRN O=C(c1ccccc1)c1ccc(Sc2nnc(Sc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 ZINC000100961291 554542406 /nfs/dbraw/zinc/54/24/06/554542406.db2.gz VGEOSKDBNGDIKD-UHFFFAOYSA-N 0 0 600.659 7.119 40 5 KKBBRN CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccc(Br)cc1-2 ZINC000101012831 554558511 /nfs/dbraw/zinc/55/85/11/554558511.db2.gz PISLVKUBZYJYDT-JOCHJYFZSA-N 0 0 554.426 6.865 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@@H]23)C1O ZINC000101064474 554571963 /nfs/dbraw/zinc/57/19/63/554571963.db2.gz CASFWPMBCHBMJZ-QVQNZMNRSA-N 0 0 592.833 5.592 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101064611 554572453 /nfs/dbraw/zinc/57/24/53/554572453.db2.gz RETAXBVUKMOBNA-VPBXCIAMSA-N 0 0 558.388 5.064 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101213095 554680515 /nfs/dbraw/zinc/68/05/15/554680515.db2.gz FVWZUVLOVQAJFF-SGNDLWITSA-N 0 0 507.930 5.088 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000101215723 554681709 /nfs/dbraw/zinc/68/17/09/554681709.db2.gz WVHCZAGCAWVJFE-NTEUORMPSA-N 0 0 548.578 5.497 40 5 KKBBRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000101215892 554682369 /nfs/dbraw/zinc/68/23/69/554682369.db2.gz NZGFWXJHKBTGEY-LFIBNONCSA-N 0 0 574.641 5.756 40 5 KKBBRN O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000101349423 554737794 /nfs/dbraw/zinc/73/77/94/554737794.db2.gz UHEJJUUIQFFPEQ-CFRMEGHHSA-N 0 0 530.537 5.564 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c1)C2=O ZINC000101441625 554773328 /nfs/dbraw/zinc/77/33/28/554773328.db2.gz ZLBZBDLBTANSSJ-PMERELPUSA-N 0 0 571.545 6.033 40 5 KKBBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589843 554801963 /nfs/dbraw/zinc/80/19/63/554801963.db2.gz XIRUWOOZGAGXCD-SPOCJGCTSA-N 0 0 599.599 5.502 40 5 KKBBRN O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000101653614 554817810 /nfs/dbraw/zinc/81/78/10/554817810.db2.gz LUELYBBIGWGQJY-UHFFFAOYSA-N 0 0 555.431 6.514 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000101964188 554853961 /nfs/dbraw/zinc/85/39/61/554853961.db2.gz JPXMHWGNTBKZTR-FQKMCRJQSA-N 0 0 572.067 6.202 40 5 KKBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101974393 554862549 /nfs/dbraw/zinc/86/25/49/554862549.db2.gz LEJPFFYPVREWFB-SSIUARNHSA-N 0 0 616.626 6.356 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(Cl)cc2)cc1 ZINC000102581331 554972584 /nfs/dbraw/zinc/97/25/84/554972584.db2.gz PDRVXUANTOMYIB-UHFFFAOYSA-N 0 0 523.770 5.643 40 5 KKBBRN COc1ccc(C(=O)Nc2sc(-c3cc4c(nc5ccc(C)cn5c4=O)n(C4CCCCC4)c3=N)nc2-c2ccccc2)cc1 ZINC000102625935 554988024 /nfs/dbraw/zinc/98/80/24/554988024.db2.gz WTZQWEYMRQPTCX-UHFFFAOYSA-N 0 0 616.747 6.994 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000102628737 554988442 /nfs/dbraw/zinc/98/84/42/554988442.db2.gz IKOWWSBYSGUCGE-UHFFFAOYSA-N 0 0 544.585 5.775 40 5 KKBBRN COC(=O)c1c(C)oc2ccc(N(C(=O)/C=C/c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000102628770 554988488 /nfs/dbraw/zinc/98/84/88/554988488.db2.gz GNIFJWZSUZLPMR-MDWZMJQESA-N 0 0 554.964 5.525 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c3ccccc23)cc1 ZINC000102628805 554988731 /nfs/dbraw/zinc/98/87/31/554988731.db2.gz IQKFDJGBRXMTSY-UHFFFAOYSA-N 0 0 615.063 7.273 40 5 KKBBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000102675566 555003850 /nfs/dbraw/zinc/00/38/50/555003850.db2.gz VAMMHMBTLSBKCE-KPBQRPCKSA-N 0 0 507.652 8.152 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102877152 555106602 /nfs/dbraw/zinc/10/66/02/555106602.db2.gz FHJDUXIIMCMZBY-QKDODKLFSA-N 0 0 604.402 6.172 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102889854 555124385 /nfs/dbraw/zinc/12/43/85/555124385.db2.gz MGXMYFRTHHVETP-JBOQNHBVSA-N 0 0 593.592 5.654 40 5 KKBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102899404 555139130 /nfs/dbraw/zinc/13/91/30/555139130.db2.gz PXYSLKZLVKDHQE-NHKHRBQYSA-N 0 0 579.565 5.264 40 5 KKBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000102974104 555184054 /nfs/dbraw/zinc/18/40/54/555184054.db2.gz PWBCNOWNLUBNBZ-SONWIMMPSA-N 0 0 582.407 5.075 40 5 KKBBRN CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332726 555359625 /nfs/dbraw/zinc/35/96/25/555359625.db2.gz RPAXCEFFCPZUKA-WQDCPGLISA-N 0 0 597.671 6.794 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000103531081 555431207 /nfs/dbraw/zinc/43/12/07/555431207.db2.gz UHWKOJZFHIODKF-LWSSLDFYSA-N 0 0 534.355 5.174 40 5 KKBBRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000103533613 555433999 /nfs/dbraw/zinc/43/39/99/555433999.db2.gz PQCZGDMCCXFVTA-NEWJYFPISA-N 0 0 534.355 5.300 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103541764 555438729 /nfs/dbraw/zinc/43/87/29/555438729.db2.gz GKACDUHCMJDVPI-JCUDBWTNSA-N 0 0 571.589 5.460 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 ZINC000103543440 555439790 /nfs/dbraw/zinc/43/97/90/555439790.db2.gz XHWJKRPGZBPKRW-IEMSDXTESA-N 0 0 599.599 5.570 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000103543456 555439793 /nfs/dbraw/zinc/43/97/93/555439793.db2.gz XHWJKRPGZBPKRW-UIUKDCGCSA-N 0 0 599.599 5.570 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103546906 555441292 /nfs/dbraw/zinc/44/12/92/555441292.db2.gz CELMTJHKWOYMKC-IANDGLOUSA-N 0 0 600.587 5.749 40 5 KKBBRN Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103549902 555443146 /nfs/dbraw/zinc/44/31/46/555443146.db2.gz ZJYJLYAGGWEYIV-ZALLFBGUSA-N 0 0 569.617 6.149 40 5 KKBBRN O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103550591 555443432 /nfs/dbraw/zinc/44/34/32/555443432.db2.gz DYEXHBYXRFDPOE-OZLMZZSTSA-N 0 0 576.008 6.104 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103551356 555443648 /nfs/dbraw/zinc/44/36/48/555443648.db2.gz UBLRONAYKDNJFH-JCUDBWTNSA-N 0 0 555.590 5.759 40 5 KKBBRN COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103556317 555446174 /nfs/dbraw/zinc/44/61/74/555446174.db2.gz UHXKNIZXANIXRU-WLDYPGBFSA-N 0 0 601.615 5.468 40 5 KKBBRN O=C(C1=C2C(O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000103558443 555447210 /nfs/dbraw/zinc/44/72/10/555447210.db2.gz KAMVSGGANDFDTA-LWSSLDFYSA-N 0 0 567.907 5.540 40 5 KKBBRN Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc(C(=O)NCc2c(C)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000103753798 555468570 /nfs/dbraw/zinc/46/85/70/555468570.db2.gz TVTIEDLVNLOIIV-UHFFFAOYSA-N 0 0 555.245 6.685 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000103754380 555468587 /nfs/dbraw/zinc/46/85/87/555468587.db2.gz WBYIULSBECRKLM-CLNXTWJPSA-N 0 0 623.712 5.826 40 5 KKBBRN CC1=NN(c2ccccc2)[C@@]2(SC(C(F)(F)F)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000103757129 555470113 /nfs/dbraw/zinc/47/01/13/555470113.db2.gz MTWVIHPFXIIBQA-QHCPKHFHSA-N 0 0 528.472 5.987 40 5 KKBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1 ZINC000103769931 555474642 /nfs/dbraw/zinc/47/46/42/555474642.db2.gz QCCFLJXRFBJMBV-UHFFFAOYSA-N 0 0 582.497 8.490 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)cc1Cl ZINC000103771130 555475114 /nfs/dbraw/zinc/47/51/14/555475114.db2.gz VQCWWMCJBRVSAV-UHFFFAOYSA-N 0 0 616.171 7.238 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103787601 555478125 /nfs/dbraw/zinc/47/81/25/555478125.db2.gz QXCNPQUXDGSNAI-MIUGUJGPSA-N 0 0 584.028 6.279 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791891 555481353 /nfs/dbraw/zinc/48/13/53/555481353.db2.gz QBPJKFKAKYLMCA-PYCBVSLESA-N 0 0 561.619 5.496 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000103826959 555483029 /nfs/dbraw/zinc/48/30/29/555483029.db2.gz UPXVFEGZRSZFAQ-USDTVRPUSA-N 0 0 617.680 5.072 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222436400 571361022 /nfs/dbraw/zinc/36/10/22/571361022.db2.gz JWQHFIZDLJHZTE-SANMLTNESA-N 0 0 645.178 5.401 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103841445 571362276 /nfs/dbraw/zinc/36/22/76/571362276.db2.gz KOGFYJCQFRKALX-KEPJHFNWSA-N 0 0 600.483 6.794 40 5 KKBBRN COc1ccc([C@@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103856652 571366235 /nfs/dbraw/zinc/36/62/35/571366235.db2.gz XYYJDGABAQUYHE-HKBQPEDESA-N 0 0 565.589 6.864 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000103891679 571368736 /nfs/dbraw/zinc/36/87/36/571368736.db2.gz HLFPIQHAQDYKLB-UDHMSBBDSA-N 0 0 619.674 5.954 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000103933423 571370213 /nfs/dbraw/zinc/37/02/13/571370213.db2.gz CMFCTHRDGUBNLN-UHFFFAOYSA-N 0 0 535.453 6.063 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1c3ccccc3C=C[C@@H]21 ZINC000104009060 571371112 /nfs/dbraw/zinc/37/11/12/571371112.db2.gz GEKDPSFYKQVZRU-UWVYSXLVSA-N 0 0 601.615 5.326 40 5 KKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000104057002 571371956 /nfs/dbraw/zinc/37/19/56/571371956.db2.gz FNXRVTBRAAEYRE-NEWJYFPISA-N 0 0 549.370 5.056 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222576863 571372957 /nfs/dbraw/zinc/37/29/57/571372957.db2.gz MVBGDTKWKZOTBS-HHHXNRCGSA-N 0 0 631.151 5.093 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000104086939 571373322 /nfs/dbraw/zinc/37/33/22/571373322.db2.gz UNCVBSJBWYUHGD-UHFFFAOYSA-N 0 0 560.994 5.732 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000104098769 571373781 /nfs/dbraw/zinc/37/37/81/571373781.db2.gz YLKMCAAPLLAVGX-UHFFFAOYSA-N 0 0 527.408 6.643 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000104099827 571373915 /nfs/dbraw/zinc/37/39/15/571373915.db2.gz YVAAADHRWKRGHG-JQIJEIRASA-N 0 0 543.023 6.482 40 5 KKBBRN COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000104118958 571374257 /nfs/dbraw/zinc/37/42/57/571374257.db2.gz CHZRWCNJNSGYPL-GCZHVTBPSA-N 0 0 571.589 5.585 40 5 KKBBRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000104143824 571374779 /nfs/dbraw/zinc/37/47/79/571374779.db2.gz DUONHBGHQMEVTO-NEWJYFPISA-N 0 0 534.355 5.300 40 5 KKBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)c1 ZINC000104146669 571375036 /nfs/dbraw/zinc/37/50/36/571375036.db2.gz HZNDXHUWZSEJLW-WYMLVPIESA-N 0 0 582.613 5.486 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222608746 571376142 /nfs/dbraw/zinc/37/61/42/571376142.db2.gz OAIFQCPDWKPAQM-XIFFEERXSA-N 0 0 741.694 6.826 40 5 KKBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000104222735 571377286 /nfs/dbraw/zinc/37/72/86/571377286.db2.gz ABCGISXOHGKPPO-UHFFFAOYSA-N 0 0 532.553 5.671 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222638856 571378958 /nfs/dbraw/zinc/37/89/58/571378958.db2.gz FFKBDFWKPHFMIQ-JGCGQSQUSA-N 0 0 663.196 5.856 40 5 KKBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223596019 571510116 /nfs/dbraw/zinc/51/01/16/571510116.db2.gz UUIXIMWAIQHFEQ-DEOSSOPVSA-N 0 0 514.409 5.220 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224270957 571510654 /nfs/dbraw/zinc/51/06/54/571510654.db2.gz JRHKVEDNPFANNL-UMSFTDKQSA-N 0 0 686.831 5.970 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223601389 571511244 /nfs/dbraw/zinc/51/12/44/571511244.db2.gz TUYAMMRDHWIPMD-PMERELPUSA-N 0 0 669.587 5.873 40 5 KKBBRN O=C(NC(=S)Nc1scc2c1c(=O)n(-c1ccc([N+](=O)[O-])cc1)nc2-c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000150484083 571514763 /nfs/dbraw/zinc/51/47/63/571514763.db2.gz OYQJOQBXHPKSTL-UHFFFAOYSA-N 0 0 654.715 5.253 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224295975 571515808 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537.657 5.522 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224372329 571532273 /nfs/dbraw/zinc/53/22/73/571532273.db2.gz PQLXOFIDCPBLAG-SANMLTNESA-N 0 0 584.536 5.757 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3c(Br)cc(Br)cc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 ZINC000162371771 571532356 /nfs/dbraw/zinc/53/23/56/571532356.db2.gz VYIWCCFJVWWLSY-UHFFFAOYSA-N 0 0 630.362 7.885 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n31)c1ccccc1CC2 ZINC000163205818 571532909 /nfs/dbraw/zinc/53/29/09/571532909.db2.gz BSUBYYMAAUHHMF-FVUNBJOLSA-N 0 0 853.476 7.024 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163214140 571533102 /nfs/dbraw/zinc/53/31/02/571533102.db2.gz NDPAETDSDVSDIA-MIUGUJGPSA-N 0 0 644.934 6.903 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000163208196 571533126 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CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163229462 571533657 /nfs/dbraw/zinc/53/36/57/571533657.db2.gz XKFXSIZZPGQBCT-WKIZKNSPSA-N 0 0 694.607 6.967 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224378195 571533729 /nfs/dbraw/zinc/53/37/29/571533729.db2.gz ZWFWJGVUXFJMKV-HKBQPEDESA-N 0 0 693.620 5.719 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163253150 571534202 /nfs/dbraw/zinc/53/42/02/571534202.db2.gz KDMGTSIJSRCJMO-KFOJKGMOSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163262403 571534434 /nfs/dbraw/zinc/53/44/34/571534434.db2.gz KRGACSSNSDPLKU-XDYZZPCYSA-N 0 0 759.476 7.340 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267188 571534454 /nfs/dbraw/zinc/53/44/54/571534454.db2.gz IGTATPFGHFAOKD-OIUASMPBSA-N 0 0 626.090 6.158 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163280776 571534672 /nfs/dbraw/zinc/53/46/72/571534672.db2.gz ICPFDOCBCXAIGP-BDKVUHKSSA-N 0 0 692.706 5.953 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163278574 571534751 /nfs/dbraw/zinc/53/47/51/571534751.db2.gz JUJZINRBCCYJGO-KXBQFYOSSA-N 0 0 661.736 5.832 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163280154 571534797 /nfs/dbraw/zinc/53/47/97/571534797.db2.gz DDGXJLLELFBPHW-DKRDTAIRSA-N 0 0 675.763 6.222 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163289392 571534958 /nfs/dbraw/zinc/53/49/58/571534958.db2.gz PQLFOAJFOCDBGT-XZYZCHRKSA-N 0 0 883.502 7.032 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 ZINC000224383786 571535061 /nfs/dbraw/zinc/53/50/61/571535061.db2.gz BXIUFTSRRYPRBH-SVBPBHIXSA-N 0 0 514.607 6.559 40 5 KKBBRN O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163303204 571535088 /nfs/dbraw/zinc/53/50/88/571535088.db2.gz GWUFUYKARZWOOT-RRLWTYHVSA-N 0 0 682.805 8.352 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000163457220 571535675 /nfs/dbraw/zinc/53/56/75/571535675.db2.gz YEPGQRIQNSCSAQ-MDYVMDJYSA-N 0 0 669.800 6.588 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)sc2=N1 ZINC000163454174 571535687 /nfs/dbraw/zinc/53/56/87/571535687.db2.gz ZHBSTHOIOJTASP-MRWVFDTMSA-N 0 0 656.717 6.311 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163504501 571536256 /nfs/dbraw/zinc/53/62/56/571536256.db2.gz HOOSIYMBYVGPSD-DBHVVYFFSA-N 0 0 650.644 6.075 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163566856 571536680 /nfs/dbraw/zinc/53/66/80/571536680.db2.gz IGFFAHZZTXYRLH-UNDLXJOSSA-N 0 0 637.645 5.218 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163553065 571536686 /nfs/dbraw/zinc/53/66/86/571536686.db2.gz UBFFDNFHSCOCIM-HNVAQCFTSA-N 0 0 708.749 5.175 40 5 KKBBRN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)cc1 ZINC000163570138 571536892 /nfs/dbraw/zinc/53/68/92/571536892.db2.gz VBMZBCPIZBHHSU-UHFFFAOYSA-N 0 0 625.735 6.062 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163625708 571538158 /nfs/dbraw/zinc/53/81/58/571538158.db2.gz MSJDKWIKKVZDKV-MFUBYVTQSA-N 0 0 801.819 7.006 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224404870 571539000 /nfs/dbraw/zinc/53/90/00/571539000.db2.gz SPKCTWIQPQRETO-XIFFEERXSA-N 0 0 690.794 5.801 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163683049 571540321 /nfs/dbraw/zinc/54/03/21/571540321.db2.gz SBCSNVCEKXWMSN-IYVASWNSSA-N 0 0 651.053 5.069 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223767762 571540839 /nfs/dbraw/zinc/54/08/39/571540839.db2.gz BCRAMXTWXRQMDW-NDEPHWFRSA-N 0 0 645.178 5.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163708713 571541100 /nfs/dbraw/zinc/54/11/00/571541100.db2.gz NYBCPAPAJVLOME-USDTVRPUSA-N 0 0 631.732 5.016 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163710729 571541314 /nfs/dbraw/zinc/54/13/14/571541314.db2.gz ISPWLPSZPFZFIH-UNDLXJOSSA-N 0 0 645.759 5.406 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163729412 571542002 /nfs/dbraw/zinc/54/20/02/571542002.db2.gz NBBWLRRTVMMGET-SFKHYTNKSA-N 0 0 674.529 5.891 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163737306 571542382 /nfs/dbraw/zinc/54/23/82/571542382.db2.gz OHZMIGFURRVOLH-LWUPDDLQSA-N 0 0 674.053 5.490 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224420580 571542474 /nfs/dbraw/zinc/54/24/74/571542474.db2.gz GPEBUVWLUXVCRS-HKBQPEDESA-N 0 0 693.620 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163749655 571542689 /nfs/dbraw/zinc/54/26/89/571542689.db2.gz PORFSJKSBCWGDW-FJNIOPPGSA-N 0 0 658.689 5.539 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000163766762 571543000 /nfs/dbraw/zinc/54/30/00/571543000.db2.gz SIIVSACOETZUKM-XWRQZSIYSA-N 0 0 710.768 6.560 40 5 KKBBRN O=c1/c(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163770493 571543055 /nfs/dbraw/zinc/54/30/55/571543055.db2.gz LTYJFFLJOAFIGK-DBHVVYFFSA-N 0 0 684.999 7.222 40 5 KKBBRN O=c1/c(=C/c2ccc(Sc3nc4ccccc4s3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163771056 571543096 /nfs/dbraw/zinc/54/30/96/571543096.db2.gz IBVXGHPAVDPICY-LRUGRNCASA-N 0 0 620.737 6.581 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163773155 571543140 /nfs/dbraw/zinc/54/31/40/571543140.db2.gz FIMBLXHMIPYKRJ-NPNXEGEYSA-N 0 0 633.701 6.344 40 5 KKBBRN O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000163776905 571543304 /nfs/dbraw/zinc/54/33/04/571543304.db2.gz RZTPSJZGZADZHN-KEPJHFNWSA-N 0 0 829.479 7.077 40 5 KKBBRN CC1(C)C[C@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936968 571543603 /nfs/dbraw/zinc/54/36/03/571543603.db2.gz VOZSDOMVLJKTAC-WBVITSLISA-N 0 0 733.333 11.981 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223787554 571544181 /nfs/dbraw/zinc/54/41/81/571544181.db2.gz BPLSYKQOCUVPSZ-UVMFRMCBSA-N 0 0 751.700 6.424 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000164176707 571544301 /nfs/dbraw/zinc/54/43/01/571544301.db2.gz NLQYNZJCVIQWRE-PRLWALMFSA-N 0 0 682.549 5.526 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000164185005 571544573 /nfs/dbraw/zinc/54/45/73/571544573.db2.gz HAZQVSRHRQNKFP-DDIUQFJASA-N 0 0 643.718 5.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000164188560 571544598 /nfs/dbraw/zinc/54/45/98/571544598.db2.gz RGBXDJCQLQAUMF-FVUNBJOLSA-N 0 0 673.744 5.092 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000164201649 571545009 /nfs/dbraw/zinc/54/50/09/571545009.db2.gz ZMJXIGZKVYZUDC-QQMBNGEASA-N 0 0 799.640 5.696 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224435435 571545314 /nfs/dbraw/zinc/54/53/14/571545314.db2.gz WWXXQCPHVSGTKW-JGCGQSQUSA-N 0 0 772.118 6.689 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223805206 571548960 /nfs/dbraw/zinc/54/89/60/571548960.db2.gz XZDBLHBAMWPDPM-IDISGSTGSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164514025 571549051 /nfs/dbraw/zinc/54/90/51/571549051.db2.gz SPWZSIHBJJIKAP-XNENXQGPSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164523424 571549270 /nfs/dbraw/zinc/54/92/70/571549270.db2.gz SQWKGAJDLDXWCP-FABFSAKGSA-N 0 0 775.475 6.948 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000164523543 571549293 /nfs/dbraw/zinc/54/92/93/571549293.db2.gz SQWKGAJDLDXWCP-CTHKJOMYSA-N 0 0 775.475 6.948 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224453071 571549408 /nfs/dbraw/zinc/54/94/08/571549408.db2.gz LPAFEUOXTDWGNS-HSZRJFAPSA-N 0 0 538.497 6.001 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223806473 571549661 /nfs/dbraw/zinc/54/96/61/571549661.db2.gz KADUPTNJJXJHPP-ZOYWYXQUSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000164566328 571549982 /nfs/dbraw/zinc/54/99/82/571549982.db2.gz DXJFPWVXRIDUPS-DEGAVRALSA-N 0 0 704.805 6.385 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224456870 571550134 /nfs/dbraw/zinc/55/01/34/571550134.db2.gz SIKDCBSSKLJFBG-SANMLTNESA-N 0 0 574.530 6.301 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224457524 571550303 /nfs/dbraw/zinc/55/03/03/571550303.db2.gz JFIGTIOOGANHSD-VWLOTQADSA-N 0 0 528.436 5.610 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224462371 571551671 /nfs/dbraw/zinc/55/16/71/571551671.db2.gz ZQZCHKONAWUPRR-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224464552 571552020 /nfs/dbraw/zinc/55/20/20/571552020.db2.gz SSHPHAKPSICWDI-HKBQPEDESA-N 0 0 707.647 6.107 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164918376 571552222 /nfs/dbraw/zinc/55/22/22/571552222.db2.gz OTIJVOCYAMHFEY-ZMTYCLHQSA-N 0 0 747.440 7.470 40 5 KKBBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 ZINC000166333628 571552550 /nfs/dbraw/zinc/55/25/50/571552550.db2.gz RMCCFSCVHAMZJR-QHCPKHFHSA-N 0 0 579.708 5.322 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(OC)cc1 ZINC000166331702 571552626 /nfs/dbraw/zinc/55/26/26/571552626.db2.gz CEGJAGOLPJSJCE-UHFFFAOYSA-N 0 0 510.601 5.045 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000169314039 571553231 /nfs/dbraw/zinc/55/32/31/571553231.db2.gz SSIWVYBQEYMNGF-BNYMOMJGSA-N 0 0 692.724 6.810 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223817796 571554540 /nfs/dbraw/zinc/55/45/40/571554540.db2.gz FHKHTXIBGXPKKZ-QFIPXVFZSA-N 0 0 643.162 5.237 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224476522 571554968 /nfs/dbraw/zinc/55/49/68/571554968.db2.gz CPNXKEDEWVOUFH-JGCGQSQUSA-N 0 0 762.112 7.234 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224479643 571555670 /nfs/dbraw/zinc/55/56/70/571555670.db2.gz MTBKYQPAMXOMIB-DNQXCXABSA-N 0 0 506.971 6.089 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223820251 571555685 /nfs/dbraw/zinc/55/56/85/571555685.db2.gz PFSULFHBPZAHND-WNSROMTISA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223821637 571556099 /nfs/dbraw/zinc/55/60/99/571556099.db2.gz AEWBDIOALSDRMP-GJBXTBEHSA-N 0 0 776.139 7.622 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223823672 571556582 /nfs/dbraw/zinc/55/65/82/571556582.db2.gz MGYVPRWQVNFDRX-CCLHPLFOSA-N 0 0 665.596 5.231 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224497235 571560418 /nfs/dbraw/zinc/56/04/18/571560418.db2.gz FXOBJUUFZTUYKC-AREMUKBSSA-N 0 0 574.530 6.301 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223848750 571561250 /nfs/dbraw/zinc/56/12/50/571561250.db2.gz KYQHKYJWLFOYJO-FQEVSTJZSA-N 0 0 526.417 5.013 40 5 KKBBRN Cc1ccc(N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000195530762 571563627 /nfs/dbraw/zinc/56/36/27/571563627.db2.gz INBSKBUAAJTFLE-MMOPVJDHSA-N 0 0 508.040 5.001 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197764418 571564600 /nfs/dbraw/zinc/56/46/00/571564600.db2.gz MHHBJWWOIMXAFG-JOCHJYFZSA-N 0 0 610.678 5.096 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197884161 571565905 /nfs/dbraw/zinc/56/59/05/571565905.db2.gz VIZJBLNOWGMNHA-HSZRJFAPSA-N 0 0 579.708 5.496 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224523084 571565949 /nfs/dbraw/zinc/56/59/49/571565949.db2.gz XBLGRMRMMFMHCG-OAQYLSRUSA-N 0 0 538.428 5.155 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223875436 571566142 /nfs/dbraw/zinc/56/61/42/571566142.db2.gz RQFLGQRSUAHFRP-CCLHPLFOSA-N 0 0 635.570 5.222 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198311314 571566897 /nfs/dbraw/zinc/56/68/97/571566897.db2.gz GLLBBBQZDWFFGE-UHFFFAOYSA-N 0 0 638.724 5.163 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224529098 571567170 /nfs/dbraw/zinc/56/71/70/571567170.db2.gz NSUHYGKRIZDFEM-RUZDIDTESA-N 0 0 574.461 5.455 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224535902 571568930 /nfs/dbraw/zinc/56/89/30/571568930.db2.gz XSLZYMNHZCUDBN-SANMLTNESA-N 0 0 635.570 5.222 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224536754 571569142 /nfs/dbraw/zinc/56/91/42/571569142.db2.gz MUUSSHKSGBFDIR-AREMUKBSSA-N 0 0 574.530 6.301 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205658984 571569553 /nfs/dbraw/zinc/56/95/53/571569553.db2.gz PIVZZUQMHMBMAL-FSJBWODESA-N 0 0 668.868 7.206 40 5 KKBBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000205698906 571570177 /nfs/dbraw/zinc/57/01/77/571570177.db2.gz DPWFWRDBZBNZQQ-LGJNPRDNSA-N 0 0 518.635 6.698 40 5 KKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224549116 571572132 /nfs/dbraw/zinc/57/21/32/571572132.db2.gz PWNCRLIAJMWJOF-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224555437 571573414 /nfs/dbraw/zinc/57/34/14/571573414.db2.gz OZIDMLKWVHDEPC-RUZDIDTESA-N 0 0 542.463 5.999 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208358524 571573866 /nfs/dbraw/zinc/57/38/66/571573866.db2.gz UQSDPUYVWGVEEC-YLKQWKBVSA-N 0 0 609.660 5.437 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223912757 571573985 /nfs/dbraw/zinc/57/39/85/571573985.db2.gz PFUKQJBHZUIHAV-NIYFSFCBSA-N 0 0 542.463 5.999 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224559022 571574237 /nfs/dbraw/zinc/57/42/37/571574237.db2.gz KUQBTPYOORBZNU-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223918884 571575341 /nfs/dbraw/zinc/57/53/41/571575341.db2.gz KPCGVHHUNHNVOF-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1C ZINC000211049158 571576162 /nfs/dbraw/zinc/57/61/62/571576162.db2.gz WFPOWKOOLSJUFH-TURZUDJPSA-N 0 0 527.602 6.192 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223924096 571576397 /nfs/dbraw/zinc/57/63/97/571576397.db2.gz OZFLBBUZFRICBC-SANMLTNESA-N 0 0 714.068 6.791 40 5 KKBBRN O=C(Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211508667 571576638 /nfs/dbraw/zinc/57/66/38/571576638.db2.gz ROCOCVDUKNEPLD-MNLQKFABSA-N 0 0 667.747 7.958 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214084428 571577307 /nfs/dbraw/zinc/57/73/07/571577307.db2.gz MYVLVHLQUMQEAE-SRZZPIQSSA-N 0 0 541.925 6.194 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214079375 571577419 /nfs/dbraw/zinc/57/74/19/571577419.db2.gz DBKKKDSMZXTTNT-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214119648 571577741 /nfs/dbraw/zinc/57/77/41/571577741.db2.gz UVIAKYMQBBDNOD-FOKLQQMPSA-N 0 0 589.851 6.835 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214232662 571578044 /nfs/dbraw/zinc/57/80/44/571578044.db2.gz SXEGGWSKTGUEFH-SRZZPIQSSA-N 0 0 525.470 5.680 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214371630 571578767 /nfs/dbraw/zinc/57/87/67/571578767.db2.gz PADNBGFSRIYLJL-ZVHZXABRSA-N 0 0 508.527 5.948 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214416786 571579064 /nfs/dbraw/zinc/57/90/64/571579064.db2.gz IBFXBQGLJWCHNV-AUEPDCJTSA-N 0 0 545.400 6.726 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214410717 571579066 /nfs/dbraw/zinc/57/90/66/571579066.db2.gz YGUZFAUCVCZOBJ-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214432524 571579223 /nfs/dbraw/zinc/57/92/23/571579223.db2.gz QPPAUQVSGLAINK-AWQFTUOYSA-N 0 0 532.361 6.334 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214438609 571579240 /nfs/dbraw/zinc/57/92/40/571579240.db2.gz GNDSIKCNBDOMLD-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214495476 571579526 /nfs/dbraw/zinc/57/95/26/571579526.db2.gz YEMBWRKQJNYXBV-ZVHZXABRSA-N 0 0 630.460 6.722 40 5 KKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000214639589 571579837 /nfs/dbraw/zinc/57/98/37/571579837.db2.gz JRZFCEJFTFLRAC-WSDLNYQXSA-N 0 0 514.481 6.951 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1 ZINC000214670280 571580182 /nfs/dbraw/zinc/58/01/82/571580182.db2.gz CCMSTUWQXRGWLD-CIAFOILYSA-N 0 0 543.479 6.081 40 5 KKBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000224585089 571580621 /nfs/dbraw/zinc/58/06/21/571580621.db2.gz NVVCWFRSIYVAGH-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000224585182 571580836 /nfs/dbraw/zinc/58/08/36/571580836.db2.gz NVVCWFRSIYVAGH-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214807337 571581120 /nfs/dbraw/zinc/58/11/20/571581120.db2.gz GMBWUCHGMKQRSF-LSHDLFTRSA-N 0 0 576.370 6.847 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc21 ZINC000214835247 571581458 /nfs/dbraw/zinc/58/14/58/571581458.db2.gz ZVXGSEHPEOXDAD-AFUMVMLFSA-N 0 0 550.514 7.796 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214865182 571581632 /nfs/dbraw/zinc/58/16/32/571581632.db2.gz OJIRLYLEHNOISP-AFUMVMLFSA-N 0 0 527.514 6.685 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214930721 571581924 /nfs/dbraw/zinc/58/19/24/571581924.db2.gz ZIOUUUWYRDPGOX-RGVLZGJSSA-N 0 0 542.367 5.790 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000214942544 571582007 /nfs/dbraw/zinc/58/20/07/571582007.db2.gz MHVQBLYDHGGZDW-UFFVCSGVSA-N 0 0 658.246 8.167 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224591791 571582181 /nfs/dbraw/zinc/58/21/81/571582181.db2.gz QWHTZQUGFXVWGJ-UMSFTDKQSA-N 0 0 688.803 5.282 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl ZINC000214982354 571582227 /nfs/dbraw/zinc/58/22/27/571582227.db2.gz GPPNRRXAGLWUEF-YDZHTSKRSA-N 0 0 650.878 7.067 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1F ZINC000214986174 571582387 /nfs/dbraw/zinc/58/23/87/571582387.db2.gz NYMYVCVAFXNWSJ-WSDLNYQXSA-N 0 0 620.396 6.163 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215029362 571582462 /nfs/dbraw/zinc/58/24/62/571582462.db2.gz MKHSBCSNIFUWAR-UFFVCSGVSA-N 0 0 624.347 7.313 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000215021288 571582548 /nfs/dbraw/zinc/58/25/48/571582548.db2.gz YGVUOYAGKYZIOV-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000215023478 571582577 /nfs/dbraw/zinc/58/25/77/571582577.db2.gz MDYUZYCDDAHHQT-JVWAILMASA-N 0 0 575.643 6.371 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215014736 571582579 /nfs/dbraw/zinc/58/25/79/571582579.db2.gz INIDWEQCWXIZHF-SRZZPIQSSA-N 0 0 545.451 6.551 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215136224 571583287 /nfs/dbraw/zinc/58/32/87/571583287.db2.gz ITUNRZCOGFOQKR-WYMPLXKRSA-N 0 0 542.972 6.602 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(I)cc1 ZINC000215177753 571583560 /nfs/dbraw/zinc/58/35/60/571583560.db2.gz KZXLEQAYDJMMQL-YBFXNURJSA-N 0 0 532.315 5.696 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000223957430 571583658 /nfs/dbraw/zinc/58/36/58/571583658.db2.gz BJCRYRFEURAFMC-KAYWLYCHSA-N 0 0 527.606 5.264 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(I)cc1 ZINC000215231271 571584053 /nfs/dbraw/zinc/58/40/53/571584053.db2.gz OEYQPQIUWPIFIH-VXLYETTFSA-N 0 0 566.760 6.349 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(I)cc1 ZINC000215230107 571584082 /nfs/dbraw/zinc/58/40/82/571584082.db2.gz XESGCNZITGAZCN-VXLYETTFSA-N 0 0 611.211 6.458 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223974360 571586782 /nfs/dbraw/zinc/58/67/82/571586782.db2.gz TUUDPDNFZQTYEN-UTONBFNKSA-N 0 0 658.777 5.354 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215943520 571588878 /nfs/dbraw/zinc/58/88/78/571588878.db2.gz BXLAYSJAYYNHAF-SSEXGKCCSA-N 0 0 594.089 5.975 40 5 KKBBRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000215966980 571589881 /nfs/dbraw/zinc/58/98/81/571589881.db2.gz MTBNXEKLIDOJEA-QFIPXVFZSA-N 0 0 562.044 5.037 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224628816 571590347 /nfs/dbraw/zinc/59/03/47/571590347.db2.gz KONWDBOOSYMJNX-FQEVSTJZSA-N 0 0 651.569 5.356 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223997574 571592285 /nfs/dbraw/zinc/59/22/85/571592285.db2.gz ZXNZYSQTMUHDEL-MGBGTMOVSA-N 0 0 658.777 5.273 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224001618 571592996 /nfs/dbraw/zinc/59/29/96/571592996.db2.gz BGDWOWZHDOHHIF-YTTGMZPUSA-N 0 0 693.222 5.927 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224647759 571594325 /nfs/dbraw/zinc/59/43/25/571594325.db2.gz GEWVRSWGOBTPDO-FQLXRVMXSA-N 0 0 533.613 6.750 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224650052 571595170 /nfs/dbraw/zinc/59/51/70/571595170.db2.gz KMQBYRANHBZJND-FQLXRVMXSA-N 0 0 534.597 7.219 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 ZINC000224656922 571597043 /nfs/dbraw/zinc/59/70/43/571597043.db2.gz NRHJATBRHNGDEU-VMPREFPWSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224031228 571598517 /nfs/dbraw/zinc/59/85/17/571598517.db2.gz PFGWYVLCXICFDX-JGCGQSQUSA-N 0 0 628.751 5.265 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224034800 571599152 /nfs/dbraw/zinc/59/91/52/571599152.db2.gz PBUZFMWVNSJAKV-FQEVSTJZSA-N 0 0 665.596 5.746 40 5 KKBBRN COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OCc5ccccc5)CC4)cc3oc(=O)c2c1 ZINC000217458775 571601563 /nfs/dbraw/zinc/60/15/63/571601563.db2.gz XYCNLYQRSMYPOC-TYKWCNGQSA-N 0 0 515.562 5.593 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224065980 571605363 /nfs/dbraw/zinc/60/53/63/571605363.db2.gz ZHEBUOOAKWTQIO-UIOOFZCWSA-N 0 0 550.040 5.636 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224089941 571608386 /nfs/dbraw/zinc/60/83/86/571608386.db2.gz MJQGQMPLGAQQDR-MGBGTMOVSA-N 0 0 707.249 6.235 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 ZINC000224721867 571610496 /nfs/dbraw/zinc/61/04/96/571610496.db2.gz OBMMEXLQXAYJPH-IOWSJCHKSA-N 0 0 578.650 7.536 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224725082 571611169 /nfs/dbraw/zinc/61/11/69/571611169.db2.gz CEABISQTGQRVFY-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224725240 571611225 /nfs/dbraw/zinc/61/12/25/571611225.db2.gz JHORIGNZPAXXEQ-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224735472 571612370 /nfs/dbraw/zinc/61/23/70/571612370.db2.gz WYAAFSFDMGKYPG-QGZVFWFLSA-N 0 0 534.476 5.067 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224752699 571613967 /nfs/dbraw/zinc/61/39/67/571613967.db2.gz UOYBPFYHNDGFDD-IHLOFXLRSA-N 0 0 564.623 7.228 40 5 KKBBRN Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224760906 571614691 /nfs/dbraw/zinc/61/46/91/571614691.db2.gz WSRHYOVRMXKJAT-XZOQPEGZSA-N 0 0 504.662 6.688 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccn3)cc2)cc1 ZINC000224761991 571614733 /nfs/dbraw/zinc/61/47/33/571614733.db2.gz DUNPMUXHQHLDCS-IZLXSDGUSA-N 0 0 550.669 6.504 40 5 KKBBRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224763440 571614925 /nfs/dbraw/zinc/61/49/25/571614925.db2.gz HHNKJTVKXHCIGZ-IZZNHLLZSA-N 0 0 515.664 6.701 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 ZINC000224763934 571614973 /nfs/dbraw/zinc/61/49/73/571614973.db2.gz QLOSRGOKXGWNGW-JSOSNVBQSA-N 0 0 592.750 7.180 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 ZINC000224764728 571615042 /nfs/dbraw/zinc/61/50/42/571615042.db2.gz KVXAXIWMIFBTMO-WDYNHAJCSA-N 0 0 606.758 7.719 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 ZINC000224764777 571615063 /nfs/dbraw/zinc/61/50/63/571615063.db2.gz KVXAXIWMIFBTMO-URLMMPGGSA-N 0 0 606.758 7.719 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 ZINC000224766188 571615156 /nfs/dbraw/zinc/61/51/56/571615156.db2.gz JAKTZBHNBFRLRF-XZWHSSHBSA-N 0 0 581.723 7.378 40 5 KKBBRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224766572 571615160 /nfs/dbraw/zinc/61/51/60/571615160.db2.gz ZFKAXKTZIKPUMH-XZWHSSHBSA-N 0 0 579.707 7.117 40 5 KKBBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C ZINC000224767655 571615241 /nfs/dbraw/zinc/61/52/41/571615241.db2.gz UPQALUGRDCZVHM-JWQCQUIFSA-N 0 0 501.637 5.965 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 ZINC000224770130 571615433 /nfs/dbraw/zinc/61/54/33/571615433.db2.gz ILTXKZWXHYPGRE-XZWHSSHBSA-N 0 0 569.756 7.852 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 ZINC000224770239 571615478 /nfs/dbraw/zinc/61/54/78/571615478.db2.gz HJPIRZVKJZUMAE-FIRIVFDPSA-N 0 0 583.783 8.242 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 ZINC000224783042 571616659 /nfs/dbraw/zinc/61/66/59/571616659.db2.gz GPNNUWYPXLFAPR-WDYNHAJCSA-N 0 0 565.680 6.814 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 ZINC000224785380 571616906 /nfs/dbraw/zinc/61/69/06/571616906.db2.gz NMGFUSBQBVLBKN-FQLXRVMXSA-N 0 0 582.732 8.062 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224785579 571616926 /nfs/dbraw/zinc/61/69/26/571616926.db2.gz GCIRQFLLMPGTHW-FQLXRVMXSA-N 0 0 617.177 8.716 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 ZINC000224785977 571616964 /nfs/dbraw/zinc/61/69/64/571616964.db2.gz BPJMJSMTDBMDPC-FQLXRVMXSA-N 0 0 568.655 7.717 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 ZINC000224785836 571616977 /nfs/dbraw/zinc/61/69/77/571616977.db2.gz BPJMJSMTDBMDPC-VMPREFPWSA-N 0 0 568.655 7.717 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 ZINC000224786242 571616999 /nfs/dbraw/zinc/61/69/99/571616999.db2.gz LIKVSGQYZSJTGA-VMPREFPWSA-N 0 0 629.561 8.341 40 5 KKBBRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224786786 571617075 /nfs/dbraw/zinc/61/70/75/571617075.db2.gz NMQDWUMLNXEQOK-CONSDPRKSA-N 0 0 594.718 7.977 40 5 KKBBRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 ZINC000224788684 571617236 /nfs/dbraw/zinc/61/72/36/571617236.db2.gz IFPLCYJUZYHQQJ-XZWHSSHBSA-N 0 0 643.588 8.649 40 5 KKBBRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789259 571617266 /nfs/dbraw/zinc/61/72/66/571617266.db2.gz NCJRHRIKUQETMU-XZWHSSHBSA-N 0 0 599.137 8.540 40 5 KKBBRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224790024 571617317 /nfs/dbraw/zinc/61/73/17/571617317.db2.gz RNYSBKYCYQMKKJ-RPBOFIJWSA-N 0 0 501.637 6.140 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789769 571617325 /nfs/dbraw/zinc/61/73/25/571617325.db2.gz ZIVCEEJPYCEOLN-LOYHVIPDSA-N 0 0 625.688 7.495 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789812 571617328 /nfs/dbraw/zinc/61/73/28/571617328.db2.gz ZIVCEEJPYCEOLN-IHLOFXLRSA-N 0 0 625.688 7.495 40 5 KKBBRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224791662 571617510 /nfs/dbraw/zinc/61/75/10/571617510.db2.gz ALHRLRWQQILXSN-AJQTZOPKSA-N 0 0 591.762 8.034 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224791995 571617537 /nfs/dbraw/zinc/61/75/37/571617537.db2.gz IDGLBFVGWZSRBL-GDLZYMKVSA-N 0 0 545.705 5.835 40 5 KKBBRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224793731 571617741 /nfs/dbraw/zinc/61/77/41/571617741.db2.gz DGKQMSRIYOAOKV-IHLOFXLRSA-N 0 0 608.701 7.365 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224811843 571619383 /nfs/dbraw/zinc/61/93/83/571619383.db2.gz KZVGMBKMHNFDAY-JOCHJYFZSA-N 0 0 526.486 5.714 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224816632 571619841 /nfs/dbraw/zinc/61/98/41/571619841.db2.gz BEADVEIXBBCAHZ-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224825636 571620778 /nfs/dbraw/zinc/62/07/78/571620778.db2.gz ABJSAFVSESFUSQ-NDEPHWFRSA-N 0 0 679.623 5.994 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224831106 571621325 /nfs/dbraw/zinc/62/13/25/571621325.db2.gz YQEZGPAGBMNAIR-QHCPKHFHSA-N 0 0 640.734 5.112 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224869994 571625091 /nfs/dbraw/zinc/62/50/91/571625091.db2.gz UHJBYIBGRRXMIV-MUUNZHRXSA-N 0 0 566.123 6.180 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224882099 571626269 /nfs/dbraw/zinc/62/62/69/571626269.db2.gz YCWUTXSYDIYDFT-NRFANRHFSA-N 0 0 647.581 5.963 40 5 KKBBRN 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571641084 /nfs/dbraw/zinc/64/10/84/571641084.db2.gz CMRKELSHYHJCQY-AREMUKBSSA-N 0 0 574.530 6.300 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225058953 571642914 /nfs/dbraw/zinc/64/29/14/571642914.db2.gz LSQTYKMRRMAPIY-NDEPHWFRSA-N 0 0 600.568 6.834 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225063752 571643402 /nfs/dbraw/zinc/64/34/02/571643402.db2.gz KADQRWFDTGBCQU-AREMUKBSSA-N 0 0 574.530 6.300 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225075284 571644537 /nfs/dbraw/zinc/64/45/37/571644537.db2.gz WGBASVBESDJBGK-YTTGMZPUSA-N 0 0 762.112 7.232 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225076609 571644694 /nfs/dbraw/zinc/64/46/94/571644694.db2.gz ZBTHPYKGHJXAFB-MHZLTWQESA-N 0 0 600.499 5.988 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225081473 571645368 /nfs/dbraw/zinc/64/53/68/571645368.db2.gz GZTYBHKALVHOGD-WJOKGBTCSA-N 0 0 650.798 5.672 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 ZINC000225087381 571646084 /nfs/dbraw/zinc/64/60/84/571646084.db2.gz VKSBBTGBTWZOEZ-ROJLCIKYSA-N 0 0 621.675 6.453 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225089796 571646258 /nfs/dbraw/zinc/64/62/58/571646258.db2.gz DVIHJPMCQSXARN-DHUJRADRSA-N 0 0 753.705 7.113 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225090305 571646348 /nfs/dbraw/zinc/64/63/48/571646348.db2.gz MTDQYZQZXIJFKP-CONSDPRKSA-N 0 0 591.649 6.444 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225090433 571646379 /nfs/dbraw/zinc/64/63/79/571646379.db2.gz MTDQYZQZXIJFKP-FIRIVFDPSA-N 0 0 591.649 6.444 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225104668 571647667 /nfs/dbraw/zinc/64/76/67/571647667.db2.gz GLFWIHCESRXIPD-SSEXGKCCSA-N 0 0 606.745 5.355 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C ZINC000225111101 571648435 /nfs/dbraw/zinc/64/84/35/571648435.db2.gz BGRZFPYJLQOYOB-KAYWLYCHSA-N 0 0 570.675 5.951 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C ZINC000225111061 571648437 /nfs/dbraw/zinc/64/84/37/571648437.db2.gz BGRZFPYJLQOYOB-RRPNLBNLSA-N 0 0 570.675 5.951 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119520 571649356 /nfs/dbraw/zinc/64/93/56/571649356.db2.gz GVDOJIXOJLNVPX-SXOMAYOGSA-N 0 0 571.659 6.420 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000225147008 571652052 /nfs/dbraw/zinc/65/20/52/571652052.db2.gz HKXQEHJCXGXGRZ-UIOOFZCWSA-N 0 0 562.051 6.675 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225164797 571653693 /nfs/dbraw/zinc/65/36/93/571653693.db2.gz MWLBTLDRMKECKK-GDLZYMKVSA-N 0 0 627.163 5.700 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225164767 571653728 /nfs/dbraw/zinc/65/37/28/571653728.db2.gz MWLBTLDRMKECKK-LJAQVGFWSA-N 0 0 627.163 5.700 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000225169551 571654113 /nfs/dbraw/zinc/65/41/13/571654113.db2.gz FGDBTBYWWQBDHC-RRPNLBNLSA-N 0 0 527.606 6.084 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C ZINC000225172424 571654444 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CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225224243 571659770 /nfs/dbraw/zinc/65/97/70/571659770.db2.gz JSOPCSNWZVGJSZ-LJAQVGFWSA-N 0 0 661.608 6.353 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225240344 571661526 /nfs/dbraw/zinc/66/15/26/571661526.db2.gz DAGVWNFSETVZPA-VWLOTQADSA-N 0 0 665.596 5.748 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225250160 571662543 /nfs/dbraw/zinc/66/25/43/571662543.db2.gz PUKMRKAFGHXWPN-JKSUJKDBSA-N 0 0 512.459 5.467 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225250120 571662558 /nfs/dbraw/zinc/66/25/58/571662558.db2.gz PUKMRKAFGHXWPN-HZPDHXFCSA-N 0 0 512.459 5.467 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225271687 571665121 /nfs/dbraw/zinc/66/51/21/571665121.db2.gz 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571667829 /nfs/dbraw/zinc/66/78/29/571667829.db2.gz MWTCQPQJGDLBOA-DHUJRADRSA-N 0 0 668.816 6.188 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225300456 571668594 /nfs/dbraw/zinc/66/85/94/571668594.db2.gz IXQUJKJTFUJSLV-DHUJRADRSA-N 0 0 686.831 5.972 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225302652 571668864 /nfs/dbraw/zinc/66/88/64/571668864.db2.gz FVIXDBQVHCGNSK-VWLOTQADSA-N 0 0 513.660 5.093 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225311366 571670312 /nfs/dbraw/zinc/67/03/12/571670312.db2.gz KPIDEDBVASOVPT-HKBQPEDESA-N 0 0 666.797 5.372 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225313001 571670584 /nfs/dbraw/zinc/67/05/84/571670584.db2.gz VDRSIRWFFDLBNI-UMSFTDKQSA-N 0 0 689.234 6.533 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225313533 571670685 /nfs/dbraw/zinc/67/06/85/571670685.db2.gz YDCHOYGRHCOWGK-LJAQVGFWSA-N 0 0 701.242 6.025 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225315164 571671178 /nfs/dbraw/zinc/67/11/78/571671178.db2.gz LSHFSEGEKPDTII-CVEARBPZSA-N 0 0 512.459 5.467 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225315545 571671322 /nfs/dbraw/zinc/67/13/22/571671322.db2.gz RJUXONZMFDBHSC-NDEPHWFRSA-N 0 0 533.694 5.693 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225319285 571673249 /nfs/dbraw/zinc/67/32/49/571673249.db2.gz YHBGDAYLRZICGE-MGBGTMOVSA-N 0 0 642.778 5.655 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225319644 571673877 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COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260825555 571734903 /nfs/dbraw/zinc/73/49/03/571734903.db2.gz ZLJXANPWJHJATI-HXUWFJFHSA-N 0 0 649.141 5.232 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260826249 571737613 /nfs/dbraw/zinc/73/76/13/571737613.db2.gz YQEZGPAGBMNAIR-HSZRJFAPSA-N 0 0 640.734 5.112 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260839553 571743500 /nfs/dbraw/zinc/74/35/00/571743500.db2.gz AQFLGKUFIUMBTH-MGBGTMOVSA-N 0 0 737.673 6.034 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225379373 571746699 /nfs/dbraw/zinc/74/66/99/571746699.db2.gz GDCGRAYAFBNROG-IZLXSDGUSA-N 0 0 526.618 6.748 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260849654 571749619 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Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464363 571835858 /nfs/dbraw/zinc/83/58/58/571835858.db2.gz RKPJSSSPIOGLKA-RPBOFIJWSA-N 0 0 549.634 5.107 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225469653 571840568 /nfs/dbraw/zinc/84/05/68/571840568.db2.gz BFNWKDTWQNYKFM-DQEYMECFSA-N 0 0 549.634 5.107 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225472683 571842881 /nfs/dbraw/zinc/84/28/81/571842881.db2.gz ATXSXDVZZBTUDU-PMERELPUSA-N 0 0 675.635 6.065 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225490404 571860443 /nfs/dbraw/zinc/86/04/43/571860443.db2.gz GHTMJLFUSWVJQL-HHHXNRCGSA-N 0 0 537.657 5.524 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260924485 571862782 /nfs/dbraw/zinc/86/27/82/571862782.db2.gz ACMRXLTVFGZHJV-OAQYLSRUSA-N 0 0 722.058 5.999 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260924624 571863159 /nfs/dbraw/zinc/86/31/59/571863159.db2.gz AIHHIUOLZDGDPX-MGBGTMOVSA-N 0 0 719.658 6.252 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260926263 571866081 /nfs/dbraw/zinc/86/60/81/571866081.db2.gz IXSQECOTTRKEAF-PGUFJCEWSA-N 0 0 686.831 5.828 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 ZINC000260927594 571869739 /nfs/dbraw/zinc/86/97/39/571869739.db2.gz ZCUHWIAVXUBRDS-GBJTXXJHSA-N 0 0 588.133 7.563 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260929356 571872364 /nfs/dbraw/zinc/87/23/64/571872364.db2.gz KICUZIPFNIQREH-UUWRZZSWSA-N 0 0 741.694 6.826 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260929835 571873685 /nfs/dbraw/zinc/87/36/85/571873685.db2.gz OMVDKJXAXAVVIE-GDLZYMKVSA-N 0 0 661.608 5.757 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260929826 571873719 /nfs/dbraw/zinc/87/37/19/571873719.db2.gz HJXCHVDWVUFGCS-ZBLYBZFDSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225505883 571876414 /nfs/dbraw/zinc/87/64/14/571876414.db2.gz SIVDNQWZQWBIDZ-FUFSCUOVSA-N 0 0 624.760 5.138 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225516854 571886794 /nfs/dbraw/zinc/88/67/94/571886794.db2.gz DOGCUSDDYXPJAZ-NDEPHWFRSA-N 0 0 614.526 6.378 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225517435 571887322 /nfs/dbraw/zinc/88/73/22/571887322.db2.gz KVQDNSUZLOZHTO-AREMUKBSSA-N 0 0 552.469 5.456 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225520684 571889905 /nfs/dbraw/zinc/88/99/05/571889905.db2.gz ZPUCKSOTEBMXEW-YTTGMZPUSA-N 0 0 707.647 6.109 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260939062 571892985 /nfs/dbraw/zinc/89/29/85/571892985.db2.gz ZPJQIXOTLZUOCA-OAQYLSRUSA-N 0 0 665.596 5.603 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260952301 571916432 /nfs/dbraw/zinc/91/64/32/571916432.db2.gz UDNMMZQLUMPDTI-MGBGTMOVSA-N 0 0 741.694 6.826 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225556425 571918195 /nfs/dbraw/zinc/91/81/95/571918195.db2.gz CLJFJNFOGPOIPX-NSOVKSMOSA-N 0 0 540.649 5.344 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225561460 571923566 /nfs/dbraw/zinc/92/35/66/571923566.db2.gz ZFHMKAISMODFQC-AREMUKBSSA-N 0 0 598.494 5.301 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000260960441 571930751 /nfs/dbraw/zinc/93/07/51/571930751.db2.gz XZKKZDXWAUOIIY-MGBGTMOVSA-N 0 0 642.778 5.511 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225570073 571931951 /nfs/dbraw/zinc/93/19/51/571931951.db2.gz HZQNNFPQWQQXBU-YTTGMZPUSA-N 0 0 697.641 6.653 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260962845 571934807 /nfs/dbraw/zinc/93/48/07/571934807.db2.gz ZFWRWTMYLOFJBM-SSEXGKCCSA-N 0 0 641.190 5.412 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260964244 571936640 /nfs/dbraw/zinc/93/66/40/571936640.db2.gz HNAOZOTVJUFDMT-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225578558 571938260 /nfs/dbraw/zinc/93/82/60/571938260.db2.gz TVZUTVQSHUMJMT-XIFFEERXSA-N 0 0 776.139 7.624 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225583173 571941904 /nfs/dbraw/zinc/94/19/04/571941904.db2.gz CMBWYFNWTGWVEU-RRPNLBNLSA-N 0 0 527.606 5.560 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225585187 571944067 /nfs/dbraw/zinc/94/40/67/571944067.db2.gz LYBMMGQUMXEGCU-AREMUKBSSA-N 0 0 588.488 5.845 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260974549 571947400 /nfs/dbraw/zinc/94/74/00/571947400.db2.gz AJWPMJJISLNGSN-YADHBBJMSA-N 0 0 631.151 5.093 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225598691 571952907 /nfs/dbraw/zinc/95/29/07/571952907.db2.gz RLHUDJAKZPIXJM-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 ZINC000225599763 571954135 /nfs/dbraw/zinc/95/41/35/571954135.db2.gz UUMGHFYBYAZZOL-UIOOFZCWSA-N 0 0 531.569 5.390 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260982559 571957239 /nfs/dbraw/zinc/95/72/39/571957239.db2.gz LKPMZKBVHKQULO-MUUNZHRXSA-N 0 0 647.581 5.367 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 ZINC000225603915 571957475 /nfs/dbraw/zinc/95/74/75/571957475.db2.gz NTJZMXQRCJVRKW-UIOOFZCWSA-N 0 0 531.569 5.390 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260989197 571967374 /nfs/dbraw/zinc/96/73/74/571967374.db2.gz PNGVEBRWWDMGCX-VXKWHMMOSA-N 0 0 631.151 5.093 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260990783 571970346 /nfs/dbraw/zinc/97/03/46/571970346.db2.gz NPROBWYKULYQNF-PGUFJCEWSA-N 0 0 684.815 5.806 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 ZINC000225621211 571972127 /nfs/dbraw/zinc/97/21/27/571972127.db2.gz DCEYONQXUZJBQB-SXOMAYOGSA-N 0 0 561.595 5.399 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F ZINC000225622801 571973588 /nfs/dbraw/zinc/97/35/88/571973588.db2.gz VNJAXTJHYULFLP-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F ZINC000225622827 571973672 /nfs/dbraw/zinc/97/36/72/571973672.db2.gz VNJAXTJHYULFLP-CLJLJLNGSA-N 0 0 531.569 5.390 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260996113 571979132 /nfs/dbraw/zinc/97/91/32/571979132.db2.gz DKECHGWHAQCHGM-SFRLIIPVSA-N 0 0 690.794 5.801 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260996381 571979609 /nfs/dbraw/zinc/97/96/09/571979609.db2.gz OPIBWHDBPDIPPW-MGBGTMOVSA-N 0 0 751.700 6.424 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261000006 571986852 /nfs/dbraw/zinc/98/68/52/571986852.db2.gz PISGIUCNHRLHSY-MGBGTMOVSA-N 0 0 675.207 6.142 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261000131 571987012 /nfs/dbraw/zinc/98/70/12/571987012.db2.gz PTEPQVDZYNDCQT-AREMUKBSSA-N 0 0 665.596 5.231 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 ZINC000225638239 571989744 /nfs/dbraw/zinc/98/97/44/571989744.db2.gz GVCDZKWCEHVJJJ-FQLXRVMXSA-N 0 0 571.659 5.877 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225640034 571991156 /nfs/dbraw/zinc/99/11/56/571991156.db2.gz XGPDMGUNLKPOGQ-WUFINQPMSA-N 0 0 541.633 5.868 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261004563 571993056 /nfs/dbraw/zinc/99/30/56/571993056.db2.gz SJHMROCFIYMAGP-KMRXNPHXSA-N 0 0 679.623 6.136 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225645528 571994403 /nfs/dbraw/zinc/99/44/03/571994403.db2.gz PFAIKYVWNCIJSO-DHUJRADRSA-N 0 0 702.830 5.672 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225647261 571996039 /nfs/dbraw/zinc/99/60/39/571996039.db2.gz OUFMOGDTOGEKNJ-UMSFTDKQSA-N 0 0 737.275 6.326 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225653584 572000790 /nfs/dbraw/zinc/00/07/90/572000790.db2.gz ZHIGTMSJGNRRPK-SVBPBHIXSA-N 0 0 526.622 5.090 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261009267 572001831 /nfs/dbraw/zinc/00/18/31/572001831.db2.gz TYGRZMNSPKYMLW-JOCHJYFZSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000225676928 572016248 /nfs/dbraw/zinc/01/62/48/572016248.db2.gz PRPWIDVFMKSUFJ-VSGBNLITSA-N 0 0 573.631 5.268 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261017862 572017346 /nfs/dbraw/zinc/01/73/46/572017346.db2.gz UVEZIONLHJIHER-JGCGQSQUSA-N 0 0 776.139 7.622 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225678533 572017390 /nfs/dbraw/zinc/01/73/90/572017390.db2.gz NEFHUFQBBSKKPC-SVBPBHIXSA-N 0 0 543.605 5.260 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225697454 572029509 /nfs/dbraw/zinc/02/95/09/572029509.db2.gz HUEZVFMPVSBLAB-RRPNLBNLSA-N 0 0 527.606 5.560 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000225710951 572041077 /nfs/dbraw/zinc/04/10/77/572041077.db2.gz XJQRAUCDRLLZQW-XZWHSSHBSA-N 0 0 562.655 5.935 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc21 ZINC000225712271 572041674 /nfs/dbraw/zinc/04/16/74/572041674.db2.gz HONBESXZGOZXLZ-IHLOFXLRSA-N 0 0 563.639 6.404 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc21 ZINC000225716409 572044591 /nfs/dbraw/zinc/04/45/91/572044591.db2.gz VPKSAFPUYOCUMR-LOYHVIPDSA-N 0 0 563.639 6.404 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261041644 572045977 /nfs/dbraw/zinc/04/59/77/572045977.db2.gz KRBOUCQLPGHGLQ-HXUWFJFHSA-N 0 0 710.047 5.855 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261045006 572049832 /nfs/dbraw/zinc/04/98/32/572049832.db2.gz ZZGWZVWDPXOTDE-UUWRZZSWSA-N 0 0 788.150 7.766 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225729053 572050637 /nfs/dbraw/zinc/05/06/37/572050637.db2.gz FEECKZBVYZYRTH-NFQMXDRXSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261045647 572050913 /nfs/dbraw/zinc/05/09/13/572050913.db2.gz ZFVGJQDRLFBEMN-HOFKKMOUSA-N 0 0 659.205 5.791 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261048410 572052907 /nfs/dbraw/zinc/05/29/07/572052907.db2.gz ZPVXMZOPBFDZQM-FNZWTVRRSA-N 0 0 714.068 6.789 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261060346 572062183 /nfs/dbraw/zinc/06/21/83/572062183.db2.gz NOYSKQKFBGBICQ-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225761586 572065058 /nfs/dbraw/zinc/06/50/58/572065058.db2.gz PBDPCYPDXUCRCK-MUUNZHRXSA-N 0 0 533.694 5.549 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261064737 572065189 /nfs/dbraw/zinc/06/51/89/572065189.db2.gz OJPWCFJSOLSINI-DCFHFQCYSA-N 0 0 665.596 5.231 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000225763403 572065431 /nfs/dbraw/zinc/06/54/31/572065431.db2.gz XZKKZDXWAUOIIY-XIFFEERXSA-N 0 0 642.778 5.511 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261072976 572071106 /nfs/dbraw/zinc/07/11/06/572071106.db2.gz QAHDVQYMKKMWHI-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261090221 572080640 /nfs/dbraw/zinc/08/06/40/572080640.db2.gz TUUDPDNFZQTYEN-NYFMKLKXSA-N 0 0 658.777 5.354 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261103460 572090521 /nfs/dbraw/zinc/09/05/21/572090521.db2.gz WRRNZRGAQRDUCU-BNHRFMORSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261105381 572092446 /nfs/dbraw/zinc/09/24/46/572092446.db2.gz XBYPZGLOCCNTEM-SFTDATJTSA-N 0 0 710.047 5.855 40 5 KKBBRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261363735 572105756 /nfs/dbraw/zinc/10/57/56/572105756.db2.gz HXMOZKVNHVYEMA-AREMUKBSSA-O 0 0 532.602 5.501 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299888459 572141119 /nfs/dbraw/zinc/14/11/19/572141119.db2.gz KBPHJBAIARWVSC-KGWOSIKJSA-N 0 0 568.886 10.403 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408526788 572158311 /nfs/dbraw/zinc/15/83/11/572158311.db2.gz BFSAVVLMATUQPZ-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000408526890 572158836 /nfs/dbraw/zinc/15/88/36/572158836.db2.gz CBCYXIRHQOJQKQ-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408530970 572173950 /nfs/dbraw/zinc/17/39/50/572173950.db2.gz SYSYXQPBGAYWOH-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1[N+](=O)[O-] ZINC000408543989 572214326 /nfs/dbraw/zinc/21/43/26/572214326.db2.gz RGDATMKLKKXYTI-DAXSKMNVSA-N 0 0 512.129 6.305 40 5 KKBBRN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000408544265 572215335 /nfs/dbraw/zinc/21/53/35/572215335.db2.gz CUFGGQJHHLJNNQ-UHFFFAOYSA-N 0 0 511.966 5.349 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408544972 572217346 /nfs/dbraw/zinc/21/73/46/572217346.db2.gz WMALRIMVDWFYGE-ALCCZGGFSA-N 0 0 528.186 7.109 40 5 KKBBRN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553790 572241230 /nfs/dbraw/zinc/24/12/30/572241230.db2.gz POAZXYWWJCWPKO-UHFFFAOYSA-N 0 0 514.328 5.293 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553795 572241306 /nfs/dbraw/zinc/24/13/06/572241306.db2.gz BXUATGNDCQXMPD-UHFFFAOYSA-N 0 0 570.665 7.363 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408553793 572241309 /nfs/dbraw/zinc/24/13/09/572241309.db2.gz BFTCMSZEUGCNPL-UHFFFAOYSA-N 0 0 534.794 5.957 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408554440 572241936 /nfs/dbraw/zinc/24/19/36/572241936.db2.gz DXTLHLBIZLBEMI-XMMPIXPASA-N 0 0 519.406 6.658 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408557740 572245140 /nfs/dbraw/zinc/24/51/40/572245140.db2.gz OPDLZTPARFZVEN-UHFFFAOYSA-N 0 0 533.291 5.977 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408557900 572245300 /nfs/dbraw/zinc/24/53/00/572245300.db2.gz PIEKPSNFDRBZTC-QHCPKHFHSA-N 0 0 573.376 7.890 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 ZINC000408558606 572246150 /nfs/dbraw/zinc/24/61/50/572246150.db2.gz UYPVAXUDNOAGID-UHFFFAOYSA-N 0 0 504.324 5.708 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408559159 572246458 /nfs/dbraw/zinc/24/64/58/572246458.db2.gz UNGGVVGXAGLQAJ-UHFFFAOYSA-N 0 0 634.608 6.937 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563409 572249225 /nfs/dbraw/zinc/24/92/25/572249225.db2.gz AJSSSZJSVGEXLK-JQHZVFBJSA-N 0 0 542.394 5.766 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563859 572249852 /nfs/dbraw/zinc/24/98/52/572249852.db2.gz BFDUCDPNERUGEN-ZVFGGPEJSA-N 0 0 612.908 6.135 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564396 572250321 /nfs/dbraw/zinc/25/03/21/572250321.db2.gz CMUZECKZIBMNGH-SIJZCSJPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564454 572250354 /nfs/dbraw/zinc/25/03/54/572250354.db2.gz CZXSVYHGKARFFI-BBFXTFFKSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408564768 572250826 /nfs/dbraw/zinc/25/08/26/572250826.db2.gz ABDKAGRLROYENX-XMMPIXPASA-N 0 0 654.370 7.351 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564755 572250860 /nfs/dbraw/zinc/25/08/60/572250860.db2.gz FTOJUAKUKNNPND-XABOBXATSA-N 0 0 598.881 5.745 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408564868 572251088 /nfs/dbraw/zinc/25/10/88/572251088.db2.gz APIOMJHGHUNYMD-DEOSSOPVSA-N 0 0 672.816 8.386 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564907 572251258 /nfs/dbraw/zinc/25/12/58/572251258.db2.gz ASDYPOUIOXYGAF-XMMPIXPASA-N 0 0 603.926 7.079 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408564998 572251437 /nfs/dbraw/zinc/25/14/37/572251437.db2.gz AXYUXMTYNOOEEW-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408564994 572251520 /nfs/dbraw/zinc/25/15/20/572251520.db2.gz AXWACIVLHHTIGJ-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565178 572251753 /nfs/dbraw/zinc/25/17/53/572251753.db2.gz INJIZEBSMJNLEB-ZVFGGPEJSA-N 0 0 596.453 5.620 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565089 572251816 /nfs/dbraw/zinc/25/18/16/572251816.db2.gz HQVREXIWAAZWFI-NUWWLQTNSA-N 0 0 633.326 6.398 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408565213 572252039 /nfs/dbraw/zinc/25/20/39/572252039.db2.gz BHUYRFMBRYDVNX-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408565260 572252127 /nfs/dbraw/zinc/25/21/27/572252127.db2.gz BLSJUQVIVKMWFA-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565334 572252432 /nfs/dbraw/zinc/25/24/32/572252432.db2.gz BRUAHZMSNMFQAJ-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565331 572252456 /nfs/dbraw/zinc/25/24/56/572252456.db2.gz JXAPSVIIHRHSQO-SGNYCRIWSA-N 0 0 558.432 5.703 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000408565556 572252773 /nfs/dbraw/zinc/25/27/73/572252773.db2.gz CKAQHYUKBAEHNP-VWLOTQADSA-N 0 0 570.027 6.225 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408565505 572252846 /nfs/dbraw/zinc/25/28/46/572252846.db2.gz CCFNMGSEFJFEMW-XMMPIXPASA-N 0 0 638.371 7.733 40 5 KKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408565668 572253016 /nfs/dbraw/zinc/25/30/16/572253016.db2.gz CRTDMPRWEFOVPO-LJQANCHMSA-N 0 0 520.210 7.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565765 572253202 /nfs/dbraw/zinc/25/32/02/572253202.db2.gz DBWHHPGEWJRQAK-VWLOTQADSA-N 0 0 509.031 6.535 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566076 572253489 /nfs/dbraw/zinc/25/34/89/572253489.db2.gz DUDTYBHWAIOSDY-HSZRJFAPSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408566102 572253496 /nfs/dbraw/zinc/25/34/96/572253496.db2.gz DWJSCQORBNDHFL-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408566096 572253501 /nfs/dbraw/zinc/25/35/01/572253501.db2.gz DWFAMZLLGBNDLL-RUZDIDTESA-N 0 0 593.920 7.624 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408566257 572253538 /nfs/dbraw/zinc/25/35/38/572253538.db2.gz FEUSFWZZDYLRGV-DEOSSOPVSA-N 0 0 589.899 6.689 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408566251 572253546 /nfs/dbraw/zinc/25/35/46/572253546.db2.gz FETIFQABXQSVRC-HSZRJFAPSA-N 0 0 600.451 5.944 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408566226 572253648 /nfs/dbraw/zinc/25/36/48/572253648.db2.gz FCKUJXQQUQTCLS-HSZRJFAPSA-N 0 0 563.894 7.533 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566409 572253789 /nfs/dbraw/zinc/25/37/89/572253789.db2.gz NUBKWSFACZTSNB-WQWSHVPRSA-N 0 0 532.811 5.748 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566459 572253796 /nfs/dbraw/zinc/25/37/96/572253796.db2.gz OHUBQQSZSAXIBZ-IPEONRORSA-N 0 0 586.870 5.602 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408566806 572253973 /nfs/dbraw/zinc/25/39/73/572253973.db2.gz GEUSDOZVONJXJS-QFIPXVFZSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408566781 572253996 /nfs/dbraw/zinc/25/39/96/572253996.db2.gz GDDXDIAVVCWBCO-VWLOTQADSA-N 0 0 662.404 7.497 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000408567164 572254192 /nfs/dbraw/zinc/25/41/92/572254192.db2.gz GQHDWYWTCUVRNW-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408567089 572254205 /nfs/dbraw/zinc/25/42/05/572254205.db2.gz GJOSVBNGPLKYEO-VWLOTQADSA-N 0 0 557.503 7.497 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408568225 572254810 /nfs/dbraw/zinc/25/48/10/572254810.db2.gz HYIQUIKQZVCJBD-VWLOTQADSA-N 0 0 587.927 7.298 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408568655 572255184 /nfs/dbraw/zinc/25/51/84/572255184.db2.gz IEMJGNSDKKFELX-AREMUKBSSA-N 0 0 631.524 6.964 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408568734 572255188 /nfs/dbraw/zinc/25/51/88/572255188.db2.gz ILULABJZZKDCCF-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408569118 572255476 /nfs/dbraw/zinc/25/54/76/572255476.db2.gz IXEQQGMQBWJONO-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408569117 572255501 /nfs/dbraw/zinc/25/55/01/572255501.db2.gz IXEQQGMQBWJONO-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408569090 572255518 /nfs/dbraw/zinc/25/55/18/572255518.db2.gz ITOCQOQHJSQUMV-HHHXNRCGSA-N 0 0 536.629 6.419 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408569513 572255701 /nfs/dbraw/zinc/25/57/01/572255701.db2.gz JJTQAHAAOYCPPD-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408569517 572255704 /nfs/dbraw/zinc/25/57/04/572255704.db2.gz JJVWZTVHXHQWAV-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408569623 572255828 /nfs/dbraw/zinc/25/58/28/572255828.db2.gz JXHBEHCHXPTHIT-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408569601 572255874 /nfs/dbraw/zinc/25/58/74/572255874.db2.gz JUGXEPCEPUMMIE-VWLOTQADSA-N 0 0 525.030 6.235 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408569986 572256118 /nfs/dbraw/zinc/25/61/18/572256118.db2.gz KMSXQUSGWZTZHT-GOSISDBHSA-N 0 0 550.236 7.233 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC ZINC000408570258 572256305 /nfs/dbraw/zinc/25/63/05/572256305.db2.gz KPADRJUJPMHIIK-LJQANCHMSA-N 0 0 507.410 5.164 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570301 572256392 /nfs/dbraw/zinc/25/63/92/572256392.db2.gz KVXGVPPFAIVKAO-QHCPKHFHSA-N 0 0 668.795 7.452 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccccc1 ZINC000408570377 572256442 /nfs/dbraw/zinc/25/64/42/572256442.db2.gz LGQPKGDDORNNLD-HHHXNRCGSA-N 0 0 575.488 7.181 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408570667 572256529 /nfs/dbraw/zinc/25/65/29/572256529.db2.gz LUZIEFWCAJWYHY-AREMUKBSSA-N 0 0 599.507 6.435 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000408570739 572256586 /nfs/dbraw/zinc/25/65/86/572256586.db2.gz LZNBZWBTLLDAFM-VWLOTQADSA-N 0 0 593.920 7.624 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408570862 572256595 /nfs/dbraw/zinc/25/65/95/572256595.db2.gz MAUJEYUBKQCZKH-MHZLTWQESA-N 0 0 569.083 6.716 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408570900 572256608 /nfs/dbraw/zinc/25/66/08/572256608.db2.gz MGLGPZUCQHFSLZ-MHZLTWQESA-N 0 0 534.638 5.981 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408570866 572256617 /nfs/dbraw/zinc/25/66/17/572256617.db2.gz MBPSFLWIGAMKAL-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 ZINC000408570907 572256629 /nfs/dbraw/zinc/25/66/29/572256629.db2.gz MGRGJLLKBDUYAB-MHZLTWQESA-N 0 0 518.639 6.280 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408571017 572256730 /nfs/dbraw/zinc/25/67/30/572256730.db2.gz MTVUCKWOKQQSSS-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571079 572256811 /nfs/dbraw/zinc/25/68/11/572256811.db2.gz NHRRHOMNCYPVQD-VWLOTQADSA-N 0 0 543.476 7.188 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571077 572256839 /nfs/dbraw/zinc/25/68/39/572256839.db2.gz NHEBOYJUIGRKRQ-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571280 572256932 /nfs/dbraw/zinc/25/69/32/572256932.db2.gz OEUPXKGEXJZDLQ-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000408571189 572256935 /nfs/dbraw/zinc/25/69/35/572256935.db2.gz OCJIINSWZDJWDD-HSZRJFAPSA-N 0 0 588.415 6.075 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408571187 572256940 /nfs/dbraw/zinc/25/69/40/572256940.db2.gz OBYCTPAYIQCEHG-RUZDIDTESA-N 0 0 509.031 6.535 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408571300 572256941 /nfs/dbraw/zinc/25/69/41/572256941.db2.gz OHPGOLXRLSZTFN-XMMPIXPASA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408571383 572257034 /nfs/dbraw/zinc/25/70/34/572257034.db2.gz OOUQJGULWAHGNA-GDLZYMKVSA-N 0 0 619.541 7.579 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408571382 572257052 /nfs/dbraw/zinc/25/70/52/572257052.db2.gz OOKCDDZBKJDIMO-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571531 572257144 /nfs/dbraw/zinc/25/71/44/572257144.db2.gz OVLNSSAQIOJXHJ-DEOSSOPVSA-N 0 0 624.344 7.343 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408571556 572257152 /nfs/dbraw/zinc/25/71/52/572257152.db2.gz OZQFBURGAXLNCL-RUZDIDTESA-N 0 0 557.047 6.683 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571534 572257209 /nfs/dbraw/zinc/25/72/09/572257209.db2.gz OWDJCTQJJBKZCU-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408571636 572257295 /nfs/dbraw/zinc/25/72/95/572257295.db2.gz PIISKZTZZYSUAY-DEOSSOPVSA-N 0 0 559.019 6.075 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408571861 572257374 /nfs/dbraw/zinc/25/73/74/572257374.db2.gz PSQIHQMMFNSVCU-AREMUKBSSA-N 0 0 583.508 6.653 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571869 572257404 /nfs/dbraw/zinc/25/74/04/572257404.db2.gz PSVVANAHDIVZMK-VWLOTQADSA-N 0 0 527.021 6.674 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571926 572257447 /nfs/dbraw/zinc/25/74/47/572257447.db2.gz PYRUCCSDSLUHKN-HSZRJFAPSA-N 0 0 543.964 5.966 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571953 572257484 /nfs/dbraw/zinc/25/74/84/572257484.db2.gz QBIMGCRMWQZHBY-QHCPKHFHSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000408572071 572257544 /nfs/dbraw/zinc/25/75/44/572257544.db2.gz QOHJLBOFBFRWMF-LJAQVGFWSA-N 0 0 575.090 7.470 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc2ccccc2c1 ZINC000408572074 572257547 /nfs/dbraw/zinc/25/75/47/572257547.db2.gz QOJHPIGYXDGAML-PMERELPUSA-N 0 0 554.672 7.125 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000408572070 572257584 /nfs/dbraw/zinc/25/75/84/572257584.db2.gz QOHJLBOFBFRWMF-GDLZYMKVSA-N 0 0 575.090 7.470 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408572167 572257671 /nfs/dbraw/zinc/25/76/71/572257671.db2.gz QRZQHIFIKKBUHK-XMMPIXPASA-N 0 0 563.894 7.533 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408572165 572257674 /nfs/dbraw/zinc/25/76/74/572257674.db2.gz QRZQHIFIKKBUHK-DEOSSOPVSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408572347 572257766 /nfs/dbraw/zinc/25/77/66/572257766.db2.gz QYAPZDPIXHZPOH-VWLOTQADSA-N 0 0 573.046 6.465 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408572349 572257798 /nfs/dbraw/zinc/25/77/98/572257798.db2.gz QYCJBIXRYFUUQH-DEOSSOPVSA-N 0 0 559.019 6.075 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572387 572257826 /nfs/dbraw/zinc/25/78/26/572257826.db2.gz RAHPZMKVLJMNNM-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408572599 572257856 /nfs/dbraw/zinc/25/78/56/572257856.db2.gz RJTNWJRDWOZTMT-AREMUKBSSA-N 0 0 504.612 5.972 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572471 572257927 /nfs/dbraw/zinc/25/79/27/572257927.db2.gz RFOCITYOXOXVJJ-DEOSSOPVSA-N 0 0 561.466 7.328 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572739 572257992 /nfs/dbraw/zinc/25/79/92/572257992.db2.gz RXMSGPDIHDDCGL-DEOSSOPVSA-N 0 0 540.001 6.135 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572634 572258002 /nfs/dbraw/zinc/25/80/02/572258002.db2.gz RNQKDYUOAXNDSS-VWLOTQADSA-N 0 0 593.920 7.624 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408573016 572258499 /nfs/dbraw/zinc/25/84/99/572258499.db2.gz SDTXFICPLKRWLS-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408573428 572258755 /nfs/dbraw/zinc/25/87/55/572258755.db2.gz STZQYWARKWVJPL-VWLOTQADSA-N 0 0 585.480 6.045 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408573467 572258867 /nfs/dbraw/zinc/25/88/67/572258867.db2.gz SYQCTJCDYFDCKX-AREMUKBSSA-N 0 0 589.501 6.979 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408573507 572258950 /nfs/dbraw/zinc/25/89/50/572258950.db2.gz SZKYTAKLDCOPOU-DEOSSOPVSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCC ZINC000408573534 572258964 /nfs/dbraw/zinc/25/89/64/572258964.db2.gz TUMXVUVUXFKGMW-FQEVSTJZSA-N 0 0 521.437 5.554 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573648 572259123 /nfs/dbraw/zinc/25/91/23/572259123.db2.gz TZYUAWCSBZWVQB-NDEPHWFRSA-N 0 0 619.541 7.498 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408574049 572259243 /nfs/dbraw/zinc/25/92/43/572259243.db2.gz UMUNDBZUEAIJHH-DEOSSOPVSA-N 0 0 621.916 7.219 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408574011 572259275 /nfs/dbraw/zinc/25/92/75/572259275.db2.gz UJYIUAJOSBZTDT-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408574050 572259284 /nfs/dbraw/zinc/25/92/84/572259284.db2.gz UMUNDBZUEAIJHH-XMMPIXPASA-N 0 0 621.916 7.219 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000408574466 572259578 /nfs/dbraw/zinc/25/95/78/572259578.db2.gz UVYIURZWTBKERG-XMMPIXPASA-N 0 0 586.026 5.844 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(Cl)cc1 ZINC000408574472 572259596 /nfs/dbraw/zinc/25/95/96/572259596.db2.gz UWIDGCFTVCRPIQ-MHZLTWQESA-N 0 0 531.037 7.071 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408574577 572259694 /nfs/dbraw/zinc/25/96/94/572259694.db2.gz SDGSASXSRJQLST-VMPITWQZSA-N 0 0 603.484 5.575 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(F)cc1 ZINC000408575017 572260070 /nfs/dbraw/zinc/26/00/70/572260070.db2.gz VMPCZCIIFOWISG-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000408575076 572260238 /nfs/dbraw/zinc/26/02/38/572260238.db2.gz VYKGXVTVWKUKBF-DEOSSOPVSA-N 0 0 569.481 6.344 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000408575379 572260453 /nfs/dbraw/zinc/26/04/53/572260453.db2.gz WBOVNCOMHIOVGZ-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408575497 572260494 /nfs/dbraw/zinc/26/04/94/572260494.db2.gz WJOHYZGAJCRRCG-XMMPIXPASA-N 0 0 664.376 6.807 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000408575546 572260540 /nfs/dbraw/zinc/26/05/40/572260540.db2.gz WMIDCGDUOGTNSZ-XMMPIXPASA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408575552 572260588 /nfs/dbraw/zinc/26/05/88/572260588.db2.gz WMUQTYZWYLGGIX-QHCPKHFHSA-N 0 0 543.964 5.966 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1cccc(C)c1 ZINC000408576548 572261328 /nfs/dbraw/zinc/26/13/28/572261328.db2.gz XRHYDJFCGWDWKA-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408576610 572261340 /nfs/dbraw/zinc/26/13/40/572261340.db2.gz XVXYWZKVGAPNRX-LJQANCHMSA-N 0 0 550.236 7.233 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408576740 572261384 /nfs/dbraw/zinc/26/13/84/572261384.db2.gz YGALPUSFHJZGNX-AREMUKBSSA-N 0 0 615.525 7.182 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408576738 572261389 /nfs/dbraw/zinc/26/13/89/572261389.db2.gz YFTPLJHKAUZVGF-XMMPIXPASA-N 0 0 589.899 6.689 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408576683 572261410 /nfs/dbraw/zinc/26/14/10/572261410.db2.gz YBCBIGYWVSJKRW-VWLOTQADSA-N 0 0 601.498 6.874 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408576922 572261547 /nfs/dbraw/zinc/26/15/47/572261547.db2.gz YVRQJGKDBYLCHX-UHFFFAOYSA-N 0 0 508.383 5.255 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408577236 572261860 /nfs/dbraw/zinc/26/18/60/572261860.db2.gz YTYFIJNGLHCHHY-QHCPKHFHSA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408577274 572261867 /nfs/dbraw/zinc/26/18/67/572261867.db2.gz YXTWMEGNALFBNW-RUZDIDTESA-N 0 0 622.372 7.951 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408577399 572261988 /nfs/dbraw/zinc/26/19/88/572261988.db2.gz ZFPZMLFPUMHURW-QHCPKHFHSA-N 0 0 594.318 7.334 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F ZINC000408577370 572261996 /nfs/dbraw/zinc/26/19/96/572261996.db2.gz ZCJUOVDBBXIIFR-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408577769 572262357 /nfs/dbraw/zinc/26/23/57/572262357.db2.gz ZUHPRVARIMENPD-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408577783 572262438 /nfs/dbraw/zinc/26/24/38/572262438.db2.gz ZWHVVEINPZNDFY-VWLOTQADSA-N 0 0 543.476 7.188 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408585777 572266091 /nfs/dbraw/zinc/26/60/91/572266091.db2.gz IHZCFICFBFQPOV-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408586541 572266259 /nfs/dbraw/zinc/26/62/59/572266259.db2.gz NPVVSSBULJPHCE-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408588993 572267111 /nfs/dbraw/zinc/26/71/11/572267111.db2.gz XPXSWHKFNXCAFH-UHFFFAOYSA-N 0 0 552.834 5.149 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000408607261 572275077 /nfs/dbraw/zinc/27/50/77/572275077.db2.gz KIEIYHJAKKMGAA-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000408604772 572274123 /nfs/dbraw/zinc/27/41/23/572274123.db2.gz IDVZXALZNZFDAB-UHFFFAOYSA-N 0 0 503.536 5.221 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408605306 572274444 /nfs/dbraw/zinc/27/44/44/572274444.db2.gz GBGRTXWQMDQCJV-UHFFFAOYSA-N 0 0 628.217 6.982 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408605518 572274498 /nfs/dbraw/zinc/27/44/98/572274498.db2.gz HLWFIGYHEDWUAX-UHFFFAOYSA-N 0 0 559.766 8.141 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408605963 572274707 /nfs/dbraw/zinc/27/47/07/572274707.db2.gz HUOKRCPSMLOJRB-UHFFFAOYSA-N 0 0 526.214 7.254 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408606637 572274990 /nfs/dbraw/zinc/27/49/90/572274990.db2.gz JJOFHIJCXGVZRG-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408608376 572275435 /nfs/dbraw/zinc/27/54/35/572275435.db2.gz WDLOYRQPXKYIMW-OQLLNIDSSA-N 0 0 501.495 5.880 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408608474 572275472 /nfs/dbraw/zinc/27/54/72/572275472.db2.gz LSUGDWWUTJBALW-UHFFFAOYSA-N 0 0 511.294 7.098 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408611097 572276431 /nfs/dbraw/zinc/27/64/31/572276431.db2.gz QGUABVLJXAWCTQ-UHFFFAOYSA-N 0 0 550.247 7.018 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408611726 572276637 /nfs/dbraw/zinc/27/66/37/572276637.db2.gz QYXPYLAEHVBGPT-UHFFFAOYSA-N 0 0 505.796 6.909 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408611762 572276661 /nfs/dbraw/zinc/27/66/61/572276661.db2.gz RGMDGNNRUBYVKW-UHFFFAOYSA-N 0 0 583.220 6.470 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408612291 572276875 /nfs/dbraw/zinc/27/68/75/572276875.db2.gz VHCMNLBQMRSXTD-UHFFFAOYSA-N 0 0 573.214 7.096 40 5 KKBBRN CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)ccc21 ZINC000408622274 572282021 /nfs/dbraw/zinc/28/20/21/572282021.db2.gz NATCHADHMNRIQZ-UHFFFAOYSA-N 0 0 528.590 5.557 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 ZINC000408637660 572294552 /nfs/dbraw/zinc/29/45/52/572294552.db2.gz MNXYUPIAQZUJTJ-VWLOTQADSA-N 0 0 636.657 6.683 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 ZINC000408637636 572294556 /nfs/dbraw/zinc/29/45/56/572294556.db2.gz MDZMUMRPJJAYND-AREMUKBSSA-N 0 0 636.657 6.817 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Br)cc1 ZINC000408637769 572294585 /nfs/dbraw/zinc/29/45/85/572294585.db2.gz BCMQBWLYWLXXRR-UHFFFAOYSA-N 0 0 823.868 6.944 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638282 572294965 /nfs/dbraw/zinc/29/49/65/572294965.db2.gz QSYDSXGKCXBPIB-VWLOTQADSA-N 0 0 602.599 7.112 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408638978 572295439 /nfs/dbraw/zinc/29/54/39/572295439.db2.gz DUXKXCQOPBAMNI-LROUJFHJSA-N 0 0 648.466 5.238 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000408639059 572295542 /nfs/dbraw/zinc/29/55/42/572295542.db2.gz FAEZZSHJPSKCNZ-UHFFFAOYSA-N 0 0 693.304 7.025 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408640080 572296275 /nfs/dbraw/zinc/29/62/75/572296275.db2.gz HESJYUXJONBFAS-UIOOFZCWSA-N 0 0 601.999 5.049 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408640502 572296490 /nfs/dbraw/zinc/29/64/90/572296490.db2.gz IFQMHRQIHASAMW-WSNNEZGNSA-N 0 0 638.460 5.782 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1C ZINC000408640479 572296528 /nfs/dbraw/zinc/29/65/28/572296528.db2.gz IDIZMUBJXQFRLB-UHFFFAOYSA-N 0 0 773.026 6.798 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408640859 572296713 /nfs/dbraw/zinc/29/67/13/572296713.db2.gz JDLMYZYYOKJFJH-FTJBHMTQSA-N 0 0 646.450 5.158 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408641328 572297001 /nfs/dbraw/zinc/29/70/01/572297001.db2.gz JZTQEZYHLGNOFF-UHFFFAOYSA-N 0 0 697.281 6.420 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408642311 572297597 /nfs/dbraw/zinc/29/75/97/572297597.db2.gz MUPNZKBYKPQVMS-UHFFFAOYSA-N 0 0 673.388 5.021 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408642461 572297695 /nfs/dbraw/zinc/29/76/95/572297695.db2.gz DXCNAFMYZWRHHZ-DHIUTWEWSA-N 0 0 559.962 5.232 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408642737 572297907 /nfs/dbraw/zinc/29/79/07/572297907.db2.gz FCUJLDVJNMZUDT-QQIMBVITSA-N 0 0 573.989 5.478 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408643119 572298060 /nfs/dbraw/zinc/29/80/60/572298060.db2.gz FOGZZLAIYUFZDG-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643113 572298066 /nfs/dbraw/zinc/29/80/66/572298066.db2.gz OTFDIFHLHJDDPN-UHFFFAOYSA-N 0 0 756.165 8.271 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408643311 572298164 /nfs/dbraw/zinc/29/81/64/572298164.db2.gz PDQYOSIPVYTNKG-UHFFFAOYSA-N 0 0 687.275 6.964 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408643983 572298419 /nfs/dbraw/zinc/29/84/19/572298419.db2.gz QKTLZMJJRIIWIG-NOZRDPDXSA-N 0 0 636.444 5.702 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)nc3ccccc32)c1 ZINC000408644167 572298585 /nfs/dbraw/zinc/29/85/85/572298585.db2.gz DQBHZOVUGGOOAB-UHFFFAOYSA-N 0 0 563.566 6.193 40 5 KKBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408645378 572299142 /nfs/dbraw/zinc/29/91/42/572299142.db2.gz SHOHVSLDXKMRDK-AWEZNQCLSA-N 0 0 526.332 5.135 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408646993 572300207 /nfs/dbraw/zinc/30/02/07/572300207.db2.gz JEAUJLIMKIUXTD-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408646982 572300244 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/nfs/dbraw/zinc/31/29/28/572312928.db2.gz KNCBOQSTDHWUAX-UHFFFAOYSA-N 0 0 512.430 5.172 40 5 KKBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000408669613 572314173 /nfs/dbraw/zinc/31/41/73/572314173.db2.gz XKTJMIPJVXKTMC-UHFFFAOYSA-N 0 0 556.369 5.440 40 5 KKBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408670070 572314464 /nfs/dbraw/zinc/31/44/64/572314464.db2.gz XWHZJVPKYXVDTB-NVFZYCOYSA-N 0 0 627.436 5.732 40 5 KKBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5c(c(Cl)c(Cl)c(Cl)c5Cl)C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672049 572315883 /nfs/dbraw/zinc/31/58/83/572315883.db2.gz UXWYXYISOJLTFA-ZDUSSCGKSA-N 0 0 637.259 6.584 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408676255 572318546 /nfs/dbraw/zinc/31/85/46/572318546.db2.gz APUXPYINERKJPS-HCXPYDJZSA-N 0 0 608.994 5.606 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408678848 572320061 /nfs/dbraw/zinc/32/00/61/572320061.db2.gz DNHAQHAMIYPZSN-UHFFFAOYSA-N 0 0 608.048 7.369 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1Cl ZINC000408680356 572321073 /nfs/dbraw/zinc/32/10/73/572321073.db2.gz GDZQLRSLJSTQDB-UHFFFAOYSA-N 0 0 636.058 7.052 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680410 572321088 /nfs/dbraw/zinc/32/10/88/572321088.db2.gz GETASGZFGPLNHH-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680823 572321386 /nfs/dbraw/zinc/32/13/86/572321386.db2.gz GZTGUMHRVLLKNZ-QYVZARNFSA-N 0 0 608.994 5.606 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000008221265 574410883 /nfs/dbraw/zinc/41/08/83/574410883.db2.gz ABTRFGSPYXCGMR-AXXBKCDFSA-N 0 0 552.887 11.743 40 5 endogenous,in-man KKBBRN CCC1=c2[nH]c(c(CC)c2CC)=C(CC)C2=C(CC)C(CC)=C(C=C3C=CC(=N3)C=C3C=C(CC)C1=N3)[N@@+]2([O-])CC ZINC000504823406 717183387 /nfs/dbraw/zinc/18/33/87/717183387.db2.gz GILYDNYJNRJERM-FAIXQHPJSA-N 0 0 550.791 7.738 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc4c5ccc6c7c5c(c5c4c3C(=CC5)C2=O)C=C[C@@H]7C(=O)N(c2ccc(OC)cc2)C6=O)cc1 ZINC000100053374 1069695497 /nfs/dbraw/zinc/69/54/97/1069695497.db2.gz BIFLOXJWLXANKQ-NDEPHWFRSA-N 0 0 604.618 6.434 40 5 KKBBRN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 ZINC000102901827 1069707708 /nfs/dbraw/zinc/70/77/08/1069707708.db2.gz HIYYGFKEMCPOEG-HLYMYNNUSA-N 0 0 541.579 5.669 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728603 1069727836 /nfs/dbraw/zinc/72/78/36/1069727836.db2.gz PPYNIKKPGHEKNP-SKGAXEKPSA-N 0 0 584.220 5.013 40 5 KKBBRN 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/nfs/dbraw/zinc/93/76/77/1069937677.db2.gz QEUFECCYBAKFPX-ZFWDJNJRSA-N 0 0 825.394 5.634 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408822675 1069983759 /nfs/dbraw/zinc/98/37/59/1069983759.db2.gz BQYIHUGNLFCVTM-ORVZPOCUSA-N 0 0 774.431 5.961 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823285 1069987548 /nfs/dbraw/zinc/98/75/48/1069987548.db2.gz DRDZLINCTDVBRR-ORVZPOCUSA-N 0 0 821.431 5.803 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827052 1070005702 /nfs/dbraw/zinc/00/57/02/1070005702.db2.gz UMNLKPFSPSXDHC-UPWSPCOFSA-N 0 0 723.558 5.877 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408828383 1070010346 /nfs/dbraw/zinc/01/03/46/1070010346.db2.gz MSDPCEQQHPDZKK-VZIOXZNFSA-N 0 0 633.988 5.171 40 5 KKBBRN 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/nfs/dbraw/zinc/04/27/90/1070042790.db2.gz CFEBXFZVSFGIDY-HWANIQDNSA-N 0 0 631.710 5.823 40 5 KKBBRN CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408840830 1070043242 /nfs/dbraw/zinc/04/32/42/1070043242.db2.gz CBXLWOOWTOWVBK-ZZUHSINASA-N 0 0 574.998 7.090 40 5 KKBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408842814 1070046431 /nfs/dbraw/zinc/04/64/31/1070046431.db2.gz LAABGRREYMCWBY-IVQFASICSA-N 0 0 620.618 6.067 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408844974 1070050971 /nfs/dbraw/zinc/05/09/71/1070050971.db2.gz DSCNJRXMGIBWKK-PBKKUYBVSA-N 0 0 642.517 6.061 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408880574 1070108096 /nfs/dbraw/zinc/10/80/96/1070108096.db2.gz JUFYLBZBZSZUIB-UUYOSTAYSA-N 0 0 571.970 5.650 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408877837 1070112795 /nfs/dbraw/zinc/11/27/95/1070112795.db2.gz UVEDZUQDCVHQDH-FUFNRSNVSA-N 0 0 644.503 5.882 40 5 KKBBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000408878786 1070116003 /nfs/dbraw/zinc/11/60/03/1070116003.db2.gz BQDXGOKZKIBIHS-JAIQZWGSSA-N 0 0 547.467 5.557 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000408917816 1070209381 /nfs/dbraw/zinc/20/93/81/1070209381.db2.gz BNIBNCCAKMXECP-PJYWLYPCSA-N 0 0 582.248 5.621 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000408914223 1070213073 /nfs/dbraw/zinc/21/30/73/1070213073.db2.gz NODLSNJVKSBBPH-FABFSAKGSA-N 0 0 696.788 5.097 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408916242 1070219514 /nfs/dbraw/zinc/21/95/14/1070219514.db2.gz AACKYIPATSUIIO-YDZHTSKRSA-N 0 0 634.423 6.553 40 5 KKBBRN Cc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408919760 1070222665 /nfs/dbraw/zinc/22/26/65/1070222665.db2.gz CANBUZJXEGRXPW-PECNEJNESA-N 0 0 653.764 6.402 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000408920548 1070226626 /nfs/dbraw/zinc/22/66/26/1070226626.db2.gz JYKHFRNIGIWGPE-FUZBLHKMSA-N 0 0 654.748 6.155 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408920252 1070225152 /nfs/dbraw/zinc/22/51/52/1070225152.db2.gz DDBKVRGCZRZPET-UHFFFAOYSA-N 0 0 705.565 5.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408919261 1070235027 /nfs/dbraw/zinc/23/50/27/1070235027.db2.gz VLCKVLXMOLYUCS-ISZRBDKASA-N 0 0 635.698 5.447 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408926413 1070238825 /nfs/dbraw/zinc/23/88/25/1070238825.db2.gz NGGUTZCFPOXZQZ-KFOJKGMOSA-N 0 0 682.755 5.044 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000408922721 1070240150 /nfs/dbraw/zinc/24/01/50/1070240150.db2.gz GPIRHPQQBYBVCY-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408924198 1070241940 /nfs/dbraw/zinc/24/19/40/1070241940.db2.gz DJTSMWFWTYCJBM-NLRVBDNBSA-N 0 0 517.538 5.714 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408933789 1070266832 /nfs/dbraw/zinc/26/68/32/1070266832.db2.gz AFBLJHTZQSUTJI-FJNIOPPGSA-N 0 0 769.614 5.686 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408935196 1070272492 /nfs/dbraw/zinc/27/24/92/1070272492.db2.gz MXXSFMRACNZEMG-FVMAXLJRSA-N 0 0 773.456 5.828 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408979422 1070343912 /nfs/dbraw/zinc/34/39/12/1070343912.db2.gz QMWGLAJSVFLCDL-FFWTUWPMSA-N 0 0 692.750 5.387 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408991103 1070357160 /nfs/dbraw/zinc/35/71/60/1070357160.db2.gz MTESFOHYVZCFFN-TVRVIFGSSA-N 0 0 817.556 8.071 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc6sc7c(c6c(=O)[nH]5)CCCC7)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408990334 1070355434 /nfs/dbraw/zinc/35/54/34/1070355434.db2.gz KRIYPPLZYGQPMP-UHFFFAOYSA-N 0 0 625.757 8.173 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408997762 1070372069 /nfs/dbraw/zinc/37/20/69/1070372069.db2.gz SSTVCKKRISEGGL-UHFFFAOYSA-N 0 0 560.404 7.070 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408998575 1070373228 /nfs/dbraw/zinc/37/32/28/1070373228.db2.gz RHXXWYJVUMOMHH-PKYOQBLNSA-N 0 0 678.561 5.447 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408999404 1070374326 /nfs/dbraw/zinc/37/43/26/1070374326.db2.gz KURHJCCVSUPQJQ-SUAMDDGLSA-N 0 0 713.404 5.811 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409002632 1070379151 /nfs/dbraw/zinc/37/91/51/1070379151.db2.gz VUVSSSNHTQVHGM-FUAQWRKOSA-N 0 0 693.803 6.153 40 5 KKBBRN COc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409029144 1070406786 /nfs/dbraw/zinc/40/67/86/1070406786.db2.gz XXZQOFWGVOAUIE-UHFFFAOYSA-N 0 0 614.529 5.164 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409037574 1070440236 /nfs/dbraw/zinc/44/02/36/1070440236.db2.gz SWBQOEYGXFWYMM-ZGOFBEGVSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040843 1070443812 /nfs/dbraw/zinc/44/38/12/1070443812.db2.gz IKIPHCOBCRORSS-XSTKMXAKSA-N 0 0 740.604 5.983 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409045428 1070453751 /nfs/dbraw/zinc/45/37/51/1070453751.db2.gz PMRMEOROIDFNLJ-ASZNLBCTSA-N 0 0 678.561 5.447 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)sc2=N1 ZINC000409048241 1070460852 /nfs/dbraw/zinc/46/08/52/1070460852.db2.gz VVBGETGCGMWUNL-UPWSPCOFSA-N 0 0 664.534 5.057 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409054642 1070475578 /nfs/dbraw/zinc/47/55/78/1070475578.db2.gz ARJUHZKKAJQTLP-MTJSOVHGSA-N 0 0 622.824 6.681 40 5 KKBBRN Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 ZINC000409112827 1070538809 /nfs/dbraw/zinc/53/88/09/1070538809.db2.gz CDDPRDWRSVLQNX-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000409120742 1070546919 /nfs/dbraw/zinc/54/69/19/1070546919.db2.gz SNLZDNVPRFKZTB-UHFFFAOYSA-N 0 0 547.589 5.260 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409133722 1070558420 /nfs/dbraw/zinc/55/84/20/1070558420.db2.gz QZGACFOSLCOWCI-OEAKJJBVSA-N 0 0 575.481 6.952 40 5 KKBBRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1OC ZINC000409150397 1070568831 /nfs/dbraw/zinc/56/88/31/1070568831.db2.gz BVNRDRXMTZNOFI-PYCBVSLESA-N 0 0 631.707 5.462 40 5 KKBBRN Cc1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000409171905 1070587888 /nfs/dbraw/zinc/58/78/88/1070587888.db2.gz DFEKFUOJKALIML-MHZLTWQESA-N 0 0 520.497 5.485 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409172609 1070588358 /nfs/dbraw/zinc/58/83/58/1070588358.db2.gz DMBYVHCLGBLHNS-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Br)cc1 ZINC000409183743 1070603117 /nfs/dbraw/zinc/60/31/17/1070603117.db2.gz UMQNXZBPMOIZDI-UHFFFAOYSA-N 0 0 545.729 5.177 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409190646 1070607676 /nfs/dbraw/zinc/60/76/76/1070607676.db2.gz UKLSISCPRATZOO-JLKMOJGBSA-N 0 0 747.324 6.900 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409189597 1070620860 /nfs/dbraw/zinc/62/08/60/1070620860.db2.gz RDTDLRACNJWFEF-PIXWUVMMSA-N 0 0 746.683 7.087 40 5 KKBBRN O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409204159 1070629576 /nfs/dbraw/zinc/62/95/76/1070629576.db2.gz CMCMLJRJTVPBDR-WOJGMQOQSA-N 0 0 562.298 6.261 40 5 KKBBRN Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409222100 1070649489 /nfs/dbraw/zinc/64/94/89/1070649489.db2.gz AYGQUWUYTVXWAE-SSDVNMTOSA-N 0 0 541.379 6.153 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409239088 1070654729 /nfs/dbraw/zinc/65/47/29/1070654729.db2.gz BSZYTDZKYHNXGM-WSDLNYQXSA-N 0 0 601.251 6.100 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409241148 1070668555 /nfs/dbraw/zinc/66/85/55/1070668555.db2.gz ROBSXQYDWUWJSF-SRZZPIQSSA-N 0 0 572.799 6.086 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409242326 1070670002 /nfs/dbraw/zinc/67/00/02/1070670002.db2.gz QQOBJVZXKQJHAA-XDHOZWIPSA-N 0 0 568.389 5.623 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409253179 1070685280 /nfs/dbraw/zinc/68/52/80/1070685280.db2.gz WFPNVFGYWJQGGE-QRVIBDJDSA-N 0 0 645.431 5.462 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409269327 1070703797 /nfs/dbraw/zinc/70/37/97/1070703797.db2.gz BHOCHEUOJYMTGF-QRVIBDJDSA-N 0 0 548.577 5.473 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270215 1070705298 /nfs/dbraw/zinc/70/52/98/1070705298.db2.gz GKVUKQOCEKUDFX-SSDVNMTOSA-N 0 0 550.461 5.123 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl ZINC000409270086 1070705328 /nfs/dbraw/zinc/70/53/28/1070705328.db2.gz FQOWEVBJGIFSQT-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN CCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409273069 1070712151 /nfs/dbraw/zinc/71/21/51/1070712151.db2.gz PMNOJKNLVWPFJB-LZYBPNLTSA-N 0 0 517.279 6.225 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F ZINC000409272277 1070710026 /nfs/dbraw/zinc/71/00/26/1070710026.db2.gz FSMOMSDYEPGFAI-ZMOGYAJESA-N 0 0 522.510 5.241 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1Cl ZINC000409275125 1070718317 /nfs/dbraw/zinc/71/83/17/1070718317.db2.gz YVBAPJBNCLHWSX-UFFVCSGVSA-N 0 0 570.967 5.128 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409333143 1070837828 /nfs/dbraw/zinc/83/78/28/1070837828.db2.gz NLXSCYKFFAOHIQ-QHCPKHFHSA-N 0 0 511.987 6.626 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000409335183 1070854781 /nfs/dbraw/zinc/85/47/81/1070854781.db2.gz KDTWWENIFXSVMH-UHFFFAOYSA-N 0 0 516.387 6.604 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408889289 1070889657 /nfs/dbraw/zinc/88/96/57/1070889657.db2.gz BLRKZFJOAUVXBO-XKZIYDEJSA-N 0 0 552.406 5.105 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409371278 1070894555 /nfs/dbraw/zinc/89/45/55/1070894555.db2.gz BYCZVWZNZSBDMP-FOKLQQMPSA-N 0 0 664.456 7.769 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917247 1070993562 /nfs/dbraw/zinc/99/35/62/1070993562.db2.gz PTGZAWBLVMLYRT-WSDLNYQXSA-N 0 0 651.276 6.777 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000408927219 1071069129 /nfs/dbraw/zinc/06/91/29/1071069129.db2.gz OVUMKOQDFNMCAU-IGSWSUAKSA-N 0 0 584.075 5.462 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408926090 1071074669 /nfs/dbraw/zinc/07/46/69/1071074669.db2.gz OGURZXQVHIJJGE-UHFFFAOYSA-N 0 0 635.507 5.536 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408922388 1071092035 /nfs/dbraw/zinc/09/20/35/1071092035.db2.gz AFONNTTWRSFWDR-YZSQISJMSA-N 0 0 567.545 6.594 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408918878 1071129481 /nfs/dbraw/zinc/12/94/81/1071129481.db2.gz QBNCJYIYHXKTSH-YSMPRRRNSA-N 0 0 605.466 7.335 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408918406 1071135436 /nfs/dbraw/zinc/13/54/36/1071135436.db2.gz KCVCWLHQPHGMOE-YDZHTSKRSA-N 0 0 630.448 6.149 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408930326 1071161589 /nfs/dbraw/zinc/16/15/89/1071161589.db2.gz VLYNQRHNRAQYCT-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408930099 1071164845 /nfs/dbraw/zinc/16/48/45/1071164845.db2.gz SBBHPFFAUZERIX-ZMOGYAJESA-N 0 0 673.485 6.079 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1C ZINC000408929655 1071169596 /nfs/dbraw/zinc/16/95/96/1071169596.db2.gz MESGIKYAXWSMNJ-FSJBWODESA-N 0 0 586.453 6.772 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1C ZINC000408929094 1071177355 /nfs/dbraw/zinc/17/73/55/1071177355.db2.gz QWMKIRSWDNZZOZ-FSJBWODESA-N 0 0 630.904 6.882 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n21 ZINC000408936093 1071217222 /nfs/dbraw/zinc/21/72/22/1071217222.db2.gz FKESLOOGBHXALX-ZFWDJNJRSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408933128 1071244910 /nfs/dbraw/zinc/24/49/10/1071244910.db2.gz HTLYJQSMUYXMBE-WQVUUJHJSA-N 0 0 694.560 5.065 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408944515 1071257873 /nfs/dbraw/zinc/25/78/73/1071257873.db2.gz MSFRFWHMXJHPEP-SZYVSPPHSA-N 0 0 678.561 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946926 1071264506 /nfs/dbraw/zinc/26/45/06/1071264506.db2.gz ZOMLLABXECPHGC-QUNTYYFUSA-N 0 0 682.582 6.380 40 5 KKBBRN O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103520547 1071307939 /nfs/dbraw/zinc/30/79/39/1071307939.db2.gz VOJWIUIYLOAAIG-DZDVJMQSSA-N 0 0 610.453 6.883 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC ZINC000408941443 1071308397 /nfs/dbraw/zinc/30/83/97/1071308397.db2.gz VUMJDQJPYJEECS-USPXUGGPSA-N 0 0 802.556 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408938183 1071332707 /nfs/dbraw/zinc/33/27/07/1071332707.db2.gz KXEHRHBBMQLGNT-YVBHXKDBSA-N 0 0 727.033 6.489 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684225 1071344574 /nfs/dbraw/zinc/34/45/74/1071344574.db2.gz NBFFAERILSBNFD-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408951903 1071348251 /nfs/dbraw/zinc/34/82/51/1071348251.db2.gz VEGXZRSFUADMTL-IYVASWNSSA-N 0 0 652.523 5.435 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408684743 1071358187 /nfs/dbraw/zinc/35/81/87/1071358187.db2.gz NYCWIJDILRDFES-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683872 1071362861 /nfs/dbraw/zinc/36/28/61/1071362861.db2.gz MJPZUMSPMFALPA-UHFFFAOYSA-N 0 0 557.148 6.201 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408683269 1071366260 /nfs/dbraw/zinc/36/62/60/1071366260.db2.gz KYKVFSFLQUSRTK-UHFFFAOYSA-N 0 0 789.969 6.089 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408682902 1071368281 /nfs/dbraw/zinc/36/82/81/1071368281.db2.gz KGYAOTCIQQURMD-UHFFFAOYSA-N 0 0 795.858 7.261 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408956837 1071376246 /nfs/dbraw/zinc/37/62/46/1071376246.db2.gz ZTGYQMNEJDWTDO-GTGQMDHASA-N 0 0 816.583 5.428 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000408953413 1071396432 /nfs/dbraw/zinc/39/64/32/1071396432.db2.gz WESIWDYBEVRMDK-ORVZPOCUSA-N 0 0 652.523 5.435 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408691424 1071397521 /nfs/dbraw/zinc/39/75/21/1071397521.db2.gz ZUZLRKPVLXJCEZ-ZDUSSCGKSA-N 0 0 591.231 5.709 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690103 1071408822 /nfs/dbraw/zinc/40/88/22/1071408822.db2.gz ZRKZAZMNMHJYGI-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688417 1071421356 /nfs/dbraw/zinc/42/13/56/1071421356.db2.gz WGVIJMRSQNIUCW-FZDFQQAASA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688331 1071423499 /nfs/dbraw/zinc/42/34/99/1071423499.db2.gz VZTSWAUWUJBEAB-QYVZARNFSA-N 0 0 608.994 5.606 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408688160 1071424503 /nfs/dbraw/zinc/42/45/03/1071424503.db2.gz VVFPJWYWPIMCGV-UDPYREPESA-N 0 0 571.589 5.036 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408986176 1071493953 /nfs/dbraw/zinc/49/39/53/1071493953.db2.gz OIRFZIBWKYNOHS-TVRVIFGSSA-N 0 0 786.657 6.211 40 5 KKBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sc2cc(Cl)ccc2c1Cl ZINC000408710491 1071508939 /nfs/dbraw/zinc/50/89/39/1071508939.db2.gz VSLQEWNRGRXKDF-UHFFFAOYSA-N 0 0 554.371 6.671 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5cccc([N+](=O)[O-])c5)c4c3)cc21 ZINC000408720040 1071510109 /nfs/dbraw/zinc/51/01/09/1071510109.db2.gz JHLGVPNPIFZFDG-UHFFFAOYSA-N 0 0 736.744 10.105 40 5 KKBBRN CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NC(C)(C)C)c3cc21 ZINC000408720340 1071511264 /nfs/dbraw/zinc/51/12/64/1071511264.db2.gz LIIMLHWPJSTPRV-UHFFFAOYSA-N 0 0 530.672 7.174 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000408720464 1071512911 /nfs/dbraw/zinc/51/29/11/1071512911.db2.gz QAMFYOMDJXYJON-ITWZUIQWSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408726272 1071513558 /nfs/dbraw/zinc/51/35/58/1071513558.db2.gz KUQODLLKFJAQDB-NKVSQWTQSA-N 0 0 562.343 6.852 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000408726349 1071516917 /nfs/dbraw/zinc/51/69/17/1071516917.db2.gz BIJHUQNJZUGJKN-AGYDLCDTSA-N 0 0 568.221 5.313 40 5 KKBBRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000408983507 1071517218 /nfs/dbraw/zinc/51/72/18/1071517218.db2.gz KVMQZHPMJPUNCC-UHFFFAOYSA-N 0 0 605.727 5.385 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408981609 1071533037 /nfs/dbraw/zinc/53/30/37/1071533037.db2.gz IJJJFEFZFOGVBP-FABFSAKGSA-N 0 0 672.115 5.774 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408981479 1071534964 /nfs/dbraw/zinc/53/49/64/1071534964.db2.gz HWHXSHHGJMTLRF-CJIXEESDSA-N 0 0 702.967 5.790 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408981201 1071536914 /nfs/dbraw/zinc/53/69/14/1071536914.db2.gz ABMXEEJKLJQEJF-OTHIGLTOSA-N 0 0 720.785 5.044 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980550 1071538792 /nfs/dbraw/zinc/53/87/92/1071538792.db2.gz FNQQLFVOGBYHEU-LHOSBTIMSA-N 0 0 750.811 5.053 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980551 1071538841 /nfs/dbraw/zinc/53/88/41/1071538841.db2.gz FNQQLFVOGBYHEU-XFPFAXQNSA-N 0 0 750.811 5.053 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408978613 1071546490 /nfs/dbraw/zinc/54/64/90/1071546490.db2.gz AAXSUGHYSHEPIM-KMCFWPMWSA-N 0 0 761.050 6.847 40 5 KKBBRN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408719440 1071547750 /nfs/dbraw/zinc/54/77/50/1071547750.db2.gz PFTLSNXUPTXSMX-PJEHFJQTSA-N 0 0 512.949 5.574 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 ZINC000408720723 1071543586 /nfs/dbraw/zinc/54/35/86/1071543586.db2.gz XQFYNYUSOILBAY-QKENHZOPSA-N 0 0 506.558 5.619 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720730 1071543599 /nfs/dbraw/zinc/54/35/99/1071543599.db2.gz XSIMOFASIGRPNO-MPCVTRCCSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728678 1071548694 /nfs/dbraw/zinc/54/86/94/1071548694.db2.gz REDVZBFTXOSVCM-SKGAXEKPSA-N 0 0 584.220 5.013 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733682 1071549673 /nfs/dbraw/zinc/54/96/73/1071549673.db2.gz ZMIGDDORMULCSD-YRSDHNRQSA-N 0 0 664.534 5.166 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733713 1071550032 /nfs/dbraw/zinc/55/00/32/1071550032.db2.gz OTGFSNLDLLMUFE-MQIAMDAWSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733746 1071550676 /nfs/dbraw/zinc/55/06/76/1071550676.db2.gz PSKTVRZEYUVTLM-UPWSPCOFSA-N 0 0 571.655 5.398 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408733505 1071552224 /nfs/dbraw/zinc/55/22/24/1071552224.db2.gz YPLJKYLMYNTFHP-XJALMMSUSA-N 0 0 590.544 5.007 40 5 KKBBRN Cc1cc(I)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736563 1071555173 /nfs/dbraw/zinc/55/51/73/1071555173.db2.gz CSNQUWWRPFOZFI-HHHXNRCGSA-N 0 0 619.459 6.006 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736167 1071557184 /nfs/dbraw/zinc/55/71/84/1071557184.db2.gz JGORRHJVGQJHTB-OBDCIHEFSA-N 0 0 676.589 6.171 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734511 1071564747 /nfs/dbraw/zinc/56/47/47/1071564747.db2.gz HFOZDNOQLLYKPS-UTAOYMJKSA-N 0 0 592.717 5.902 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Sc5nc6ccc([N+](=O)[O-])cc6s5)o4)c(=O)n32)cc1OC ZINC000408993855 1071562832 /nfs/dbraw/zinc/56/28/32/1071562832.db2.gz XIRGQWYJXSWBBX-KOBOZNMDSA-N 0 0 711.803 6.153 40 5 KKBBRN CC1CCN(c2cc3c(cc2[N+](=O)[O-])n(Cc2ccc(Cl)cc2Cl)c(=O)n3Cc2ccc(Cl)cc2Cl)CC1 ZINC000408734780 1071563111 /nfs/dbraw/zinc/56/31/11/1071563111.db2.gz DRVYYEQSNAWXOM-UHFFFAOYSA-N 0 0 594.326 7.658 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734281 1071567092 /nfs/dbraw/zinc/56/70/92/1071567092.db2.gz WEIQISSBALHACU-WYLTYJJASA-N 0 0 644.489 5.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733794 1071570367 /nfs/dbraw/zinc/57/03/67/1071570367.db2.gz RGPQEOWQHOGDAX-FZEVDNDPSA-N 0 0 813.908 7.724 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734102 1071567625 /nfs/dbraw/zinc/56/76/25/1071567625.db2.gz DBCQRAUVWGPGJO-PRLWALMFSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733960 1071569046 /nfs/dbraw/zinc/56/90/46/1071569046.db2.gz TVHUVTGVSRCVSH-OKMHPQNISA-N 0 0 793.490 7.379 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733395 1071571903 /nfs/dbraw/zinc/57/19/03/1071571903.db2.gz ICXJBLLPAZGISG-GBLIIGSVSA-N 0 0 598.464 5.582 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733410 1071571946 /nfs/dbraw/zinc/57/19/46/1071571946.db2.gz IKZFEZUFKKFSSQ-PNQAETMRSA-N 0 0 686.142 6.208 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408732970 1071576428 /nfs/dbraw/zinc/57/64/28/1071576428.db2.gz BZDGPOXCBWEABA-VPVLBGOXSA-N 0 0 811.392 5.493 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408992007 1071576715 /nfs/dbraw/zinc/57/67/15/1071576715.db2.gz PWRSVBIVLIDMCZ-GOQPZEPVSA-N 0 0 663.777 6.145 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408732684 1071577331 /nfs/dbraw/zinc/57/73/31/1071577331.db2.gz UBCUYZHOOIDPLD-OUEGXDDWSA-N 0 0 574.545 5.307 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408732471 1071577768 /nfs/dbraw/zinc/57/77/68/1071577768.db2.gz RVVMAVWXMYEPDE-UUAGDVGUSA-N 0 0 560.562 5.587 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408732568 1071578198 /nfs/dbraw/zinc/57/81/98/1071578198.db2.gz RVVMAVWXMYEPDE-WBWZXODPSA-N 0 0 560.562 5.587 40 5 KKBBRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991733 1071579186 /nfs/dbraw/zinc/57/91/86/1071579186.db2.gz PCHFEJUEHNCIIJ-KDURUIRLSA-N 0 0 657.799 7.682 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4ccccn4)cc3s2)c([N+](=O)[O-])c1 ZINC000408991524 1071580578 /nfs/dbraw/zinc/58/05/78/1071580578.db2.gz YDZGBBRGPJAYPV-UHFFFAOYSA-N 0 0 541.636 5.070 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730423 1071586458 /nfs/dbraw/zinc/58/64/58/1071586458.db2.gz GFAPBLSARRCEFU-DQARITGZSA-N 0 0 664.534 5.166 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408731363 1071582641 /nfs/dbraw/zinc/58/26/41/1071582641.db2.gz KADUWVWGFRKWSO-JSRHHAARSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408990782 1071586386 /nfs/dbraw/zinc/58/63/86/1071586386.db2.gz LZWZFOWNBACTEZ-UZQLGSGDSA-N 0 0 770.911 9.092 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408990700 1071588223 /nfs/dbraw/zinc/58/82/23/1071588223.db2.gz LLMHYAMISLCWEZ-UHFFFAOYSA-N 0 0 646.175 8.518 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408990439 1071588721 /nfs/dbraw/zinc/58/87/21/1071588721.db2.gz VXNNCDUEORAQCO-NOZLNSQSSA-N 0 0 725.404 7.173 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408990290 1071589665 /nfs/dbraw/zinc/58/96/65/1071589665.db2.gz KHSBIOIIOMFRDH-UHFFFAOYSA-N 0 0 620.137 8.256 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408729378 1071591733 /nfs/dbraw/zinc/59/17/33/1071591733.db2.gz ZFSUIOQLAKLRPN-JUJAOGAQSA-N 0 0 568.221 5.313 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729326 1071593605 /nfs/dbraw/zinc/59/36/05/1071593605.db2.gz DPJDNTGZSNTUCG-LABHGBKVSA-N 0 0 720.587 6.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408728946 1071594411 /nfs/dbraw/zinc/59/44/11/1071594411.db2.gz BDOBQJWAICMHAU-TZUCAZQYSA-N 0 0 779.463 7.071 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728814 1071595166 /nfs/dbraw/zinc/59/51/66/1071595166.db2.gz UQAQSNHNHQRWFX-LMHXZZLNSA-N 0 0 633.090 5.767 40 5 KKBBRN COCCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O ZINC000408989130 1071598391 /nfs/dbraw/zinc/59/83/91/1071598391.db2.gz HBFQMDQRVMTIOX-UHFFFAOYSA-N 0 0 512.360 5.503 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408988807 1071602639 /nfs/dbraw/zinc/60/26/39/1071602639.db2.gz RQQZOMMZPAJTGT-GARKAJJMSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408988459 1071604660 /nfs/dbraw/zinc/60/46/60/1071604660.db2.gz QXRKSJMBUVTNBK-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](Cc4ccc([N+](=O)[O-])cc4)NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 ZINC000408738878 1071606053 /nfs/dbraw/zinc/60/60/53/1071606053.db2.gz WOSLMTNGZIGCHJ-YTTGMZPUSA-N 0 0 626.738 7.678 40 5 KKBBRN CC(C)c1cc(Br)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738643 1071608251 /nfs/dbraw/zinc/60/82/51/1071608251.db2.gz TWVNTMRSOLPMNP-DEOSSOPVSA-N 0 0 540.414 5.957 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408987721 1071610852 /nfs/dbraw/zinc/61/08/52/1071610852.db2.gz QXNNPYDOPBGPAN-QDNAUZDWSA-N 0 0 658.914 5.391 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408987679 1071610875 /nfs/dbraw/zinc/61/08/75/1071610875.db2.gz QUVDHPWSRWTKEG-HNVAQCFTSA-N 0 0 725.204 5.689 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(N(C)C)cc2)C4=O)cc1C ZINC000408997046 1071614779 /nfs/dbraw/zinc/61/47/79/1071614779.db2.gz QHFJDHRMGQKSDE-UHFFFAOYSA-N 0 0 559.420 6.738 40 5 KKBBRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 ZINC000409006203 1071625695 /nfs/dbraw/zinc/62/56/95/1071625695.db2.gz YXBKEXULTAJYMV-HAHDFKILSA-N 0 0 516.506 5.346 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408757217 1071633154 /nfs/dbraw/zinc/63/31/54/1071633154.db2.gz WFJSSJHAFLMNHH-GARKAJJMSA-N 0 0 617.683 5.423 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409002576 1071640166 /nfs/dbraw/zinc/64/01/66/1071640166.db2.gz VFHXDXPMUQDNSU-CTIXHBHKSA-N 0 0 758.856 7.977 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409002577 1071640203 /nfs/dbraw/zinc/64/02/03/1071640203.db2.gz VFHXDXPMUQDNSU-DGVSTJFLSA-N 0 0 758.856 7.977 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] ZINC000408755732 1071642663 /nfs/dbraw/zinc/64/26/63/1071642663.db2.gz MQIHOUFHZOPPAL-HZHHUVPKSA-N 0 0 635.723 5.303 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408755360 1071646050 /nfs/dbraw/zinc/64/60/50/1071646050.db2.gz KTPUGDPLDNTUQF-VSQRRKBNSA-N 0 0 601.684 5.815 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408755152 1071646609 /nfs/dbraw/zinc/64/66/09/1071646609.db2.gz PWEOKRPDVPUOHY-KMCFWPMWSA-N 0 0 678.679 5.553 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12)C(c1ccccc1)c1ccccc1 ZINC000409000800 1071647597 /nfs/dbraw/zinc/64/75/97/1071647597.db2.gz GAOZRDADYQENHF-PMERELPUSA-N 0 0 569.617 6.992 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755043 1071648257 /nfs/dbraw/zinc/64/82/57/1071648257.db2.gz BDPOOHCITIYPJO-IMUCPKNRSA-N 0 0 591.645 5.504 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(C35CC6CC(CC(C6)C3)C5)cc2)C4=O)ccc1Br ZINC000408754884 1071649333 /nfs/dbraw/zinc/64/93/33/1071649333.db2.gz AHBHZQTUVOXICI-UHFFFAOYSA-N 0 0 621.531 8.754 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409000058 1071652042 /nfs/dbraw/zinc/65/20/42/1071652042.db2.gz MIRISLYGUMMDOP-PEPUGYCWSA-N 0 0 803.669 7.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408998577 1071659127 /nfs/dbraw/zinc/65/91/27/1071659127.db2.gz RHXXWYJVUMOMHH-USDTVRPUSA-N 0 0 678.561 5.447 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998296 1071660747 /nfs/dbraw/zinc/66/07/47/1071660747.db2.gz ISHLYJNSTRUZQP-PEPUGYCWSA-N 0 0 899.501 6.641 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408753019 1071662003 /nfs/dbraw/zinc/66/20/03/1071662003.db2.gz GXAZZHXPDJMGSY-VUEIQANWSA-N 0 0 788.882 7.986 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 ZINC000408750679 1071674831 /nfs/dbraw/zinc/67/48/31/1071674831.db2.gz QFRFULREHUNYHE-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408751131 1071672179 /nfs/dbraw/zinc/67/21/79/1071672179.db2.gz WWORMBXJDRTCON-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409011093 1071688854 /nfs/dbraw/zinc/68/88/54/1071688854.db2.gz LZDAHCQIOSSTHO-OVVQPSECSA-N 0 0 728.565 5.562 40 5 KKBBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n21 ZINC000409010679 1071690971 /nfs/dbraw/zinc/69/09/71/1071690971.db2.gz DFNVMYYNJXRQBL-CXABMRDKSA-N 0 0 608.716 5.139 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409009959 1071694034 /nfs/dbraw/zinc/69/40/34/1071694034.db2.gz IWHKJYRMVKWOQI-PVGUKEHMSA-N 0 0 626.425 5.165 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409009588 1071695119 /nfs/dbraw/zinc/69/51/19/1071695119.db2.gz GNNXJBJYONIQIF-SRZZPIQSSA-N 0 0 560.763 5.822 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409017221 1071704050 /nfs/dbraw/zinc/70/40/50/1071704050.db2.gz XXGRGPJCOWCNMS-MQMKENTISA-N 0 0 582.416 6.012 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000409026588 1071706412 /nfs/dbraw/zinc/70/64/12/1071706412.db2.gz SVWNJAKMVHNDJE-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1O)C3=O ZINC000408758417 1071706503 /nfs/dbraw/zinc/70/65/03/1071706503.db2.gz ZXNAXUCYAXKQBP-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 ZINC000408758249 1071707283 /nfs/dbraw/zinc/70/72/83/1071707283.db2.gz XIXRUCMNBRCHAH-OBDCIHEFSA-N 0 0 640.515 6.258 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758060 1071707767 /nfs/dbraw/zinc/70/77/67/1071707767.db2.gz UVGPALIYRQEEGI-USDTVRPUSA-N 0 0 610.489 6.249 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408757611 1071711031 /nfs/dbraw/zinc/71/10/31/1071711031.db2.gz NTFCLCATGSBQGW-DDIUQFJASA-N 0 0 591.645 5.504 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757655 1071711184 /nfs/dbraw/zinc/71/11/84/1071711184.db2.gz OKSNBHZNNIKCKB-PKYOQBLNSA-N 0 0 610.489 6.249 40 5 KKBBRN COc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)c(C)c2)C1=O ZINC000408757292 1071712996 /nfs/dbraw/zinc/71/29/96/1071712996.db2.gz LQDQLZALGUBIBN-UHFFFAOYSA-N 0 0 517.335 6.295 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408766572 1071719886 /nfs/dbraw/zinc/71/98/86/1071719886.db2.gz CZOHSEPQXBKYSR-BHFPBWTASA-N 0 0 679.379 7.556 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)c1 ZINC000408766512 1071719467 /nfs/dbraw/zinc/71/94/67/1071719467.db2.gz CNRYFIGPAPXSSG-MQEBXPQWSA-N 0 0 743.845 7.915 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000409021591 1071722722 /nfs/dbraw/zinc/72/27/22/1071722722.db2.gz OXACPPKYNVHQHP-WGOQTCKBSA-N 0 0 536.544 5.167 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409021021 1071724399 /nfs/dbraw/zinc/72/43/99/1071724399.db2.gz WYWGIMGPTSVVDM-MQMKENTISA-N 0 0 534.974 5.214 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409018659 1071731672 /nfs/dbraw/zinc/73/16/72/1071731672.db2.gz XNFIWVOUDCEBEK-PVGUKEHMSA-N 0 0 582.416 6.012 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036545 1071741944 /nfs/dbraw/zinc/74/19/44/1071741944.db2.gz RPLBMIVOVNPTPV-PNUVFATHSA-N 0 0 857.676 5.239 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036540 1071741978 /nfs/dbraw/zinc/74/19/78/1071741978.db2.gz RPLBMIVOVNPTPV-FWWOIACNSA-N 0 0 857.676 5.239 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036447 1071742423 /nfs/dbraw/zinc/74/24/23/1071742423.db2.gz LHAFVHAVFZZOLG-BQCQJZCVSA-N 0 0 796.649 5.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770417 1071743536 /nfs/dbraw/zinc/74/35/36/1071743536.db2.gz XHLMSHZKPMCIHQ-AUPFZTMHSA-N 0 0 834.452 5.958 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770457 1071743825 /nfs/dbraw/zinc/74/38/25/1071743825.db2.gz XSDIICUSGKPEIH-FJNIOPPGSA-N 0 0 643.559 5.884 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408770033 1071745095 /nfs/dbraw/zinc/74/50/95/1071745095.db2.gz RYKZVFPCJDRINH-KXBQFYOSSA-N 0 0 704.786 5.436 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409036257 1071745150 /nfs/dbraw/zinc/74/51/50/1071745150.db2.gz BGBZAMMOVOHMET-LCQSEVKBSA-N 0 0 622.099 5.717 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000409035849 1071747100 /nfs/dbraw/zinc/74/71/00/1071747100.db2.gz KMPBNTUNQHZFLY-UQDCTOEPSA-N 0 0 666.550 5.826 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000409035850 1071747106 /nfs/dbraw/zinc/74/71/06/1071747106.db2.gz QTGBKFPOLUWUCH-SOJUGJLBSA-N 0 0 722.614 5.845 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000409035854 1071747144 /nfs/dbraw/zinc/74/71/44/1071747144.db2.gz QTGBKFPOLUWUCH-ZMTYCLHQSA-N 0 0 722.614 5.845 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408776406 1071749387 /nfs/dbraw/zinc/74/93/87/1071749387.db2.gz OFIIOGYDGHCPQH-OIUASMPBSA-N 0 0 620.618 6.067 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035466 1071750998 /nfs/dbraw/zinc/75/09/98/1071750998.db2.gz PTBNQMFIUNTJSQ-LFGSITGPSA-N 0 0 716.552 5.224 40 5 KKBBRN O=c1/c(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408775716 1071753451 /nfs/dbraw/zinc/75/34/51/1071753451.db2.gz UKKAKKIJPXJVDY-HWANIQDNSA-N 0 0 629.141 6.883 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408775404 1071755199 /nfs/dbraw/zinc/75/51/99/1071755199.db2.gz GLIUJOHVPKVEBO-MDINZUHSSA-N 0 0 686.815 6.569 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034491 1071760832 /nfs/dbraw/zinc/76/08/32/1071760832.db2.gz HGPVWZGIZVNLMF-PNQAETMRSA-N 0 0 722.216 6.133 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408773913 1071763994 /nfs/dbraw/zinc/76/39/94/1071763994.db2.gz MYIXDGSQKAHFMK-KMCFWPMWSA-N 0 0 791.595 6.175 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)sc2=N1 ZINC000409033727 1071766793 /nfs/dbraw/zinc/76/67/93/1071766793.db2.gz PEEJQOLCUREQIV-PYCBVSLESA-N 0 0 684.568 6.201 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033604 1071768826 /nfs/dbraw/zinc/76/88/26/1071768826.db2.gz FUEDSLPSNMINDE-UWRMONIRSA-N 0 0 672.543 6.069 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033601 1071768997 /nfs/dbraw/zinc/76/89/97/1071768997.db2.gz FUEDSLPSNMINDE-QVPVGFNESA-N 0 0 672.543 6.069 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409033337 1071772130 /nfs/dbraw/zinc/77/21/30/1071772130.db2.gz DZYUJLNKBQYMOR-FDLUVVOFSA-N 0 0 807.284 6.716 40 5 KKBBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772677 1071772300 /nfs/dbraw/zinc/77/23/00/1071772300.db2.gz GZLBMYLUWQNJEG-KLKBWYFJSA-N 0 0 631.492 6.339 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409032808 1071775999 /nfs/dbraw/zinc/77/59/99/1071775999.db2.gz JLENZWSCXCXQBX-ZPMAPHDVSA-N 0 0 729.653 6.569 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409032636 1071777000 /nfs/dbraw/zinc/77/70/00/1071777000.db2.gz KEJBQJBRBNCANS-CRCYZHLCSA-N 0 0 709.531 5.568 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409032748 1071778072 /nfs/dbraw/zinc/77/80/72/1071778072.db2.gz NDWRZASTCBJCFC-UQDCTOEPSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408771143 1071781681 /nfs/dbraw/zinc/78/16/81/1071781681.db2.gz FOXFWWTZHUXTEG-FUFNRSNVSA-N 0 0 757.628 5.621 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408771424 1071781741 /nfs/dbraw/zinc/78/17/41/1071781741.db2.gz HZNBAOSJVBXZNE-SUAMDDGLSA-N 0 0 853.498 6.217 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409031815 1071785125 /nfs/dbraw/zinc/78/51/25/1071785125.db2.gz BMAQEGVTCRQGIC-LCQSEVKBSA-N 0 0 587.654 5.062 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 ZINC000408770351 1071786026 /nfs/dbraw/zinc/78/60/26/1071786026.db2.gz WKWWUXRCSWQGGM-RIFKOAFWSA-N 0 0 693.694 5.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031534 1071787744 /nfs/dbraw/zinc/78/77/44/1071787744.db2.gz HEJNIGJOGVRUPP-OCDQFKQQSA-N 0 0 752.640 5.852 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 ZINC000408770142 1071787822 /nfs/dbraw/zinc/78/78/22/1071787822.db2.gz TZXALULTHMRFAK-FVUNBJOLSA-N 0 0 711.594 6.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031594 1071788094 /nfs/dbraw/zinc/78/80/94/1071788094.db2.gz HOFDBMYLQSOSLS-PGUFECHJSA-N 0 0 845.519 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031542 1071788095 /nfs/dbraw/zinc/78/80/95/1071788095.db2.gz HFQAWIZXMXXABP-BXMULHQWSA-N 0 0 757.059 6.497 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 ZINC000408770249 1071788705 /nfs/dbraw/zinc/78/87/05/1071788705.db2.gz VFYHEIPRFRFDNO-OCDQFKQQSA-N 0 0 772.590 6.262 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 ZINC000408770250 1071788727 /nfs/dbraw/zinc/78/87/27/1071788727.db2.gz VFYHEIPRFRFDNO-OKMHPQNISA-N 0 0 772.590 6.262 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769877 1071789208 /nfs/dbraw/zinc/78/92/08/1071789208.db2.gz QCVSGNVSARKUNP-QVPVGFNESA-N 0 0 852.352 6.590 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769878 1071789234 /nfs/dbraw/zinc/78/92/34/1071789234.db2.gz QCVSGNVSARKUNP-UWRMONIRSA-N 0 0 852.352 6.590 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769478 1071792858 /nfs/dbraw/zinc/79/28/58/1071792858.db2.gz MSLUXRFFHZWNON-UWRMONIRSA-N 0 0 725.530 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769486 1071792868 /nfs/dbraw/zinc/79/28/68/1071792868.db2.gz MVWQDRMAOFTMSO-UWRMONIRSA-N 0 0 946.352 6.274 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769477 1071792898 /nfs/dbraw/zinc/79/28/98/1071792898.db2.gz MSLUXRFFHZWNON-QVPVGFNESA-N 0 0 725.530 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030741 1071794156 /nfs/dbraw/zinc/79/41/56/1071794156.db2.gz HPJPQNPSSAWKPR-UHSYMONFSA-N 0 0 687.771 5.480 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768395 1071800266 /nfs/dbraw/zinc/80/02/66/1071800266.db2.gz IMTFCOPUQHGUNM-HWMKKPCCSA-N 0 0 759.031 5.727 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029636 1071806005 /nfs/dbraw/zinc/80/60/05/1071806005.db2.gz CAGTXQAAEVWDSY-RIFKOAFWSA-N 0 0 722.216 6.133 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)c1 ZINC000408768192 1071803387 /nfs/dbraw/zinc/80/33/87/1071803387.db2.gz USJMAYWLRNTWBJ-NSFGRKQPSA-N 0 0 665.727 6.608 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029402 1071809477 /nfs/dbraw/zinc/80/94/77/1071809477.db2.gz AMTLQIDZFAMLMR-JPAPTLSNSA-N 0 0 797.637 6.364 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409038272 1071815828 /nfs/dbraw/zinc/81/58/28/1071815828.db2.gz ZZSFEISAFHPZRO-IWIPYMOSSA-N 0 0 555.008 6.260 40 5 KKBBRN CCOc1cc(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408780276 1071825227 /nfs/dbraw/zinc/82/52/27/1071825227.db2.gz ALKZQWXODTYETM-LKWZWFHSSA-N 0 0 540.041 6.388 40 5 KKBBRN CCOc1cc(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408780275 1071825292 /nfs/dbraw/zinc/82/52/92/1071825292.db2.gz ALKZQWXODTYETM-KLKBWYFJSA-N 0 0 540.041 6.388 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408779365 1071830211 /nfs/dbraw/zinc/83/02/11/1071830211.db2.gz VORQJTUWAIVEPG-AOLPSBPOSA-N 0 0 619.335 6.861 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045400 1071840782 /nfs/dbraw/zinc/84/07/82/1071840782.db2.gz IPWGGMRXNDGCSE-CRCYZHLCSA-N 0 0 642.517 6.062 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 ZINC000409046000 1071837053 /nfs/dbraw/zinc/83/70/53/1071837053.db2.gz QTALILDVNLBMAD-SAGCDJCOSA-N 0 0 657.745 5.471 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408777344 1071844173 /nfs/dbraw/zinc/84/41/73/1071844173.db2.gz YXUJVUCUHZAVJN-GNZKFENCSA-N 0 0 684.749 6.970 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000408784585 1071862836 /nfs/dbraw/zinc/86/28/36/1071862836.db2.gz VIWKFMABJAGBJV-QTTRZTASSA-N 0 0 537.622 5.548 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408784568 1071862874 /nfs/dbraw/zinc/86/28/74/1071862874.db2.gz UYABOUIPWZWZJN-HVDVVURSSA-N 0 0 665.749 5.801 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409042865 1071863894 /nfs/dbraw/zinc/86/38/94/1071863894.db2.gz DDMNKKQEEJYFML-UDHMSBBDSA-N 0 0 685.202 6.460 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042216 1071873334 /nfs/dbraw/zinc/87/33/34/1071873334.db2.gz WTTPAECYJACPSX-BXMULHQWSA-N 0 0 895.510 6.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041080 1071885754 /nfs/dbraw/zinc/88/57/54/1071885754.db2.gz ZBMGEQJEGPBOJV-LMWPEEHHSA-N 0 0 892.519 5.603 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409040587 1071889172 /nfs/dbraw/zinc/88/91/72/1071889172.db2.gz SVZHDVLMTPSBOE-PLMBTIQCSA-N 0 0 771.484 6.599 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039445 1071899691 /nfs/dbraw/zinc/89/96/91/1071899691.db2.gz WPFMHBYCQVRDSE-QEEORQGDSA-N 0 0 801.068 5.652 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000409039148 1071901902 /nfs/dbraw/zinc/90/19/02/1071901902.db2.gz WLKIHDFDBSOYBX-UQDCTOEPSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049483 1071913058 /nfs/dbraw/zinc/91/30/58/1071913058.db2.gz RBZLIIGDRSMPJI-AHDXEZHLSA-N 0 0 680.783 5.814 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048832 1071913525 /nfs/dbraw/zinc/91/35/25/1071913525.db2.gz PDZLZFAXEZYOHU-OKMHPQNISA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409048948 1071914551 /nfs/dbraw/zinc/91/45/51/1071914551.db2.gz UQNDQAQGSGSYJZ-UAMLYEQYSA-N 0 0 857.464 6.648 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCOc1ccccc1 ZINC000409053622 1071939735 /nfs/dbraw/zinc/93/97/35/1071939735.db2.gz NRCFKEHEBLCMMF-HAHDFKILSA-N 0 0 510.955 5.943 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409051454 1071950885 /nfs/dbraw/zinc/95/08/85/1071950885.db2.gz DBYATOFCCJBIBU-QRVIBDJDSA-N 0 0 524.982 6.381 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409050798 1071955804 /nfs/dbraw/zinc/95/58/04/1071955804.db2.gz ZWEHKGTWFNZYFE-CSJROMOCSA-N 0 0 651.539 5.049 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048348 1071972726 /nfs/dbraw/zinc/97/27/26/1071972726.db2.gz OAILWHMGOKISMZ-GWRYVSOYSA-N 0 0 674.688 5.203 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048813 1071969363 /nfs/dbraw/zinc/96/93/63/1071969363.db2.gz PCYBOPDCXRUNMR-QEEORQGDSA-N 0 0 801.068 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048426 1071971016 /nfs/dbraw/zinc/97/10/16/1071971016.db2.gz OMHAROOBMYIFDZ-PGNBASISSA-N 0 0 810.676 5.397 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl ZINC000409059260 1071982211 /nfs/dbraw/zinc/98/22/11/1071982211.db2.gz MATUOMXKMBZJMM-MTJSOVHGSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409058553 1071986721 /nfs/dbraw/zinc/98/67/21/1071986721.db2.gz YQLQKRJFRFAOOZ-UHFFFAOYSA-N 0 0 528.801 5.385 40 5 KKBBRN Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409057971 1071990212 /nfs/dbraw/zinc/99/02/12/1071990212.db2.gz XDQZAEWJXXJGPU-GOSISDBHSA-N 0 0 521.639 6.386 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409066496 1072002292 /nfs/dbraw/zinc/00/22/92/1072002292.db2.gz NFGHXVIHSWOPCP-UFFVCSGVSA-N 0 0 572.799 6.086 40 5 KKBBRN O=C1NC(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409064154 1072018035 /nfs/dbraw/zinc/01/80/35/1072018035.db2.gz BUTYLAFPCKWJCC-KEBDBYFISA-N 0 0 701.642 6.134 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409061546 1072027906 /nfs/dbraw/zinc/02/79/06/1072027906.db2.gz FHSWYCGGQGYORE-OYKKKHCWSA-N 0 0 640.512 5.655 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409060419 1072034432 /nfs/dbraw/zinc/03/44/32/1072034432.db2.gz ZURSHCMKRIDJFK-UCQKPKSFSA-N 0 0 558.971 6.090 40 5 KKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409067331 1072039509 /nfs/dbraw/zinc/03/95/09/1072039509.db2.gz CNUYBFRABWYPDK-LBFZPMSMSA-N 0 0 511.339 5.078 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076678 1072049473 /nfs/dbraw/zinc/04/94/73/1072049473.db2.gz BPLOYALQMHCVLC-INJWXVQMSA-N 0 0 698.548 5.145 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076501 1072050708 /nfs/dbraw/zinc/05/07/08/1072050708.db2.gz BATCQMFNPDKZLY-FSEOGBMLSA-N 0 0 747.418 5.899 40 5 KKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409074589 1072067216 /nfs/dbraw/zinc/06/72/16/1072067216.db2.gz VQBMWSMANQMZTE-MRXNPFEDSA-N 0 0 542.057 6.731 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409073816 1072071595 /nfs/dbraw/zinc/07/15/95/1072071595.db2.gz TXAKIVNNCVMIDE-UUYOSTAYSA-N 0 0 695.773 6.500 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409071853 1072087129 /nfs/dbraw/zinc/08/71/29/1072087129.db2.gz LTOHWUYMDRYSFJ-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409071738 1072088156 /nfs/dbraw/zinc/08/81/56/1072088156.db2.gz PIVXLSFPBHSHOR-UUYOSTAYSA-N 0 0 695.773 6.500 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409070049 1072098080 /nfs/dbraw/zinc/09/80/80/1072098080.db2.gz ZKLNAZADTXBXHO-WSDLNYQXSA-N 0 0 525.920 5.458 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080895 1072119273 /nfs/dbraw/zinc/11/92/73/1072119273.db2.gz ODCGEVPWIJJTFW-BFTFSLMOSA-N 0 0 819.734 8.001 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409080688 1072120227 /nfs/dbraw/zinc/12/02/27/1072120227.db2.gz FRHMFKXNGPABNB-BKUYFWCQSA-N 0 0 516.019 5.568 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409080235 1072124128 /nfs/dbraw/zinc/12/41/28/1072124128.db2.gz MIHBUVUDCZXPSP-KAEGSSFASA-N 0 0 857.464 6.648 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409078547 1072144445 /nfs/dbraw/zinc/14/44/45/1072144445.db2.gz ITOMZCCWDFJVJK-STZFKDTASA-N 0 0 530.444 5.669 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000409078382 1072145831 /nfs/dbraw/zinc/14/58/31/1072145831.db2.gz CADZEVHIZKNAGW-AOFXREQWSA-N 0 0 632.698 5.370 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409078064 1072148126 /nfs/dbraw/zinc/14/81/26/1072148126.db2.gz GRKZLOHLUSQFLL-STZFKDTASA-N 0 0 530.444 5.669 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409086726 1072163313 /nfs/dbraw/zinc/16/33/13/1072163313.db2.gz WONVBBJRSGOZJO-NDENLUEZSA-N 0 0 530.375 5.170 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086226 1072168166 /nfs/dbraw/zinc/16/81/66/1072168166.db2.gz QDRKHTRDOYBYLW-YIDORKBYSA-N 0 0 745.652 6.188 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409086294 1072168667 /nfs/dbraw/zinc/16/86/67/1072168667.db2.gz QHFKENGAZFKBIB-LCQSEVKBSA-N 0 0 664.534 5.057 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000409085744 1072176027 /nfs/dbraw/zinc/17/60/27/1072176027.db2.gz DAMLOXUDKWJZAT-UDHMSBBDSA-N 0 0 662.724 5.378 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409309877 1072186947 /nfs/dbraw/zinc/18/69/47/1072186947.db2.gz NLLIELITONYJCY-UHFFFAOYSA-N 0 0 537.981 5.875 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409083390 1072202059 /nfs/dbraw/zinc/20/20/59/1072202059.db2.gz OFFYODPONWEDDM-JLHDDXNDSA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082359 1072213446 /nfs/dbraw/zinc/21/34/46/1072213446.db2.gz SDQOKGFYDATTAL-PBKKUYBVSA-N 0 0 686.512 5.275 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000409081672 1072222707 /nfs/dbraw/zinc/22/27/07/1072222707.db2.gz QBXHLQGGMTUOLO-LMBBUSAASA-N 0 0 581.697 6.189 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096993 1072231309 /nfs/dbraw/zinc/23/13/09/1072231309.db2.gz FPJLNZFFNYKXHJ-DFXMODJXSA-N 0 0 652.729 5.442 40 5 KKBBRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096978 1072231481 /nfs/dbraw/zinc/23/14/81/1072231481.db2.gz MTNWQRAOGWTLDI-LSCVHKIXSA-N 0 0 596.299 6.299 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409096055 1072236252 /nfs/dbraw/zinc/23/62/52/1072236252.db2.gz JLJICUUIGSWYPC-QPJBPQEWSA-N 0 0 591.089 5.234 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000409095953 1072237660 /nfs/dbraw/zinc/23/76/60/1072237660.db2.gz BXOLPEYRWZKPKC-DHRITJCHSA-N 0 0 642.484 6.019 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409093734 1072250721 /nfs/dbraw/zinc/25/07/21/1072250721.db2.gz BIZRNBZAVNYLTJ-WOJGMQOQSA-N 0 0 507.362 5.391 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409092468 1072263056 /nfs/dbraw/zinc/26/30/56/1072263056.db2.gz YUQLHYUBMZNTKB-MHRPSJHKSA-N 0 0 716.197 5.461 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409091357 1072271979 /nfs/dbraw/zinc/27/19/79/1072271979.db2.gz PQQWJRUZZJMGRM-STZFKDTASA-N 0 0 530.444 5.669 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409091008 1072276990 /nfs/dbraw/zinc/27/69/90/1072276990.db2.gz SDWJFFLDGBEZLQ-XNOUSZLFSA-N 0 0 709.806 5.586 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409090458 1072280144 /nfs/dbraw/zinc/28/01/44/1072280144.db2.gz QTKIJFLJWQBISW-MJASDKGPSA-N 0 0 650.757 6.050 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409090561 1072281017 /nfs/dbraw/zinc/28/10/17/1072281017.db2.gz RFBYADJSJJLAQW-PQRKSKNISA-N 0 0 617.127 5.244 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409090555 1072281098 /nfs/dbraw/zinc/28/10/98/1072281098.db2.gz REBJJCRFRDYCDQ-SWBDNCPRSA-N 0 0 678.836 6.633 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090322 1072281567 /nfs/dbraw/zinc/28/15/67/1072281567.db2.gz MIKOKUNDVHKPQH-RBYDNKHHSA-N 0 0 738.613 5.464 40 5 KKBBRN COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc(Cl)cc1 ZINC000409088532 1072298972 /nfs/dbraw/zinc/29/89/72/1072298972.db2.gz FZVQCSGCQYPOID-UQDCTOEPSA-N 0 0 634.110 5.336 40 5 KKBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409087670 1072304810 /nfs/dbraw/zinc/30/48/10/1072304810.db2.gz DCLGPJWCBWKDAZ-UHFFFAOYSA-N 0 0 514.368 8.036 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087451 1072308702 /nfs/dbraw/zinc/30/87/02/1072308702.db2.gz YSXHGCZZOMZBLA-QAWIOZNNSA-N 0 0 731.625 5.879 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409101871 1072311830 /nfs/dbraw/zinc/31/18/30/1072311830.db2.gz ZHPYQPJKVXQJOE-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409100663 1072318266 /nfs/dbraw/zinc/31/82/66/1072318266.db2.gz RIQVQSWRGNJFQR-PYCBVSLESA-N 0 0 647.153 5.253 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409100787 1072318625 /nfs/dbraw/zinc/31/86/25/1072318625.db2.gz WRDZQRDTEARXKE-GRSHGNNSSA-N 0 0 519.273 6.448 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409099733 1072324483 /nfs/dbraw/zinc/32/44/83/1072324483.db2.gz TUKFPDWQOABJJX-UOZQHNDTSA-N 0 0 653.805 5.554 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409099510 1072324848 /nfs/dbraw/zinc/32/48/48/1072324848.db2.gz NVTNTMWOFWIYHH-JDKSNUEYSA-N 0 0 716.197 5.461 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 ZINC000409100288 1072321084 /nfs/dbraw/zinc/32/10/84/1072321084.db2.gz UXRWZNDGSPPBRX-XKZIYDEJSA-N 0 0 507.524 5.237 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409100008 1072322842 /nfs/dbraw/zinc/32/28/42/1072322842.db2.gz PDKOOBMVOIJAOM-GVMLUORFSA-N 0 0 595.052 5.064 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccccc1 ZINC000409336658 1072329400 /nfs/dbraw/zinc/32/94/00/1072329400.db2.gz USBKVMWMUCVHAX-OUEGXDDWSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409098351 1072331825 /nfs/dbraw/zinc/33/18/25/1072331825.db2.gz PYMZCAITMLQNCM-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409097754 1072335489 /nfs/dbraw/zinc/33/54/89/1072335489.db2.gz JGOYZUDBIGFXJM-YDZHTSKRSA-N 0 0 646.903 6.663 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000409105109 1072351617 /nfs/dbraw/zinc/35/16/17/1072351617.db2.gz GIPQLPJJLUKIEJ-MFKUBSTISA-N 0 0 656.511 6.409 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409332930 1072357966 /nfs/dbraw/zinc/35/79/66/1072357966.db2.gz SLOGEWINAGNQJJ-WSDLNYQXSA-N 0 0 525.970 6.307 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409103741 1072358338 /nfs/dbraw/zinc/35/83/38/1072358338.db2.gz BRODAKNSSHKFIK-ITNPZBTBSA-N 0 0 647.153 5.253 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103601 1072359261 /nfs/dbraw/zinc/35/92/61/1072359261.db2.gz AOOHYFCYZBSFAE-SWBDNCPRSA-N 0 0 678.836 6.633 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409103584 1072359311 /nfs/dbraw/zinc/35/93/11/1072359311.db2.gz AKJXVWQPNKNDTQ-YDZHTSKRSA-N 0 0 656.433 5.017 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103717 1072360125 /nfs/dbraw/zinc/36/01/25/1072360125.db2.gz BLNGJQOZCBPCKS-DTDQMKFYSA-N 0 0 636.730 5.742 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409102676 1072365575 /nfs/dbraw/zinc/36/55/75/1072365575.db2.gz VWCXHLOXRCGXGZ-QTTRZTASSA-N 0 0 591.089 5.234 40 5 KKBBRN CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000409103085 1072362698 /nfs/dbraw/zinc/36/26/98/1072362698.db2.gz DFZZCXRJGWPZEA-UHFFFAOYSA-N 0 0 504.921 7.228 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000409332192 1072364165 /nfs/dbraw/zinc/36/41/65/1072364165.db2.gz HAZCVPFKZUGZLC-YMOPEUHTSA-N 0 0 546.535 5.278 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102785 1072364307 /nfs/dbraw/zinc/36/43/07/1072364307.db2.gz WBFDQTCNDOIZDI-UHGLXVSNSA-N 0 0 699.833 6.485 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NCc1ccccc1 ZINC000409116909 1072371971 /nfs/dbraw/zinc/37/19/71/1072371971.db2.gz MSARYBGVWBNKCJ-BHVANESWSA-N 0 0 612.686 6.651 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccccc5n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000409331341 1072369161 /nfs/dbraw/zinc/36/91/61/1072369161.db2.gz BHOAQVYKGWIPCU-UHFFFAOYSA-N 0 0 656.771 7.014 40 5 KKBBRN Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C ZINC000409114819 1072378976 /nfs/dbraw/zinc/37/89/76/1072378976.db2.gz QLCJUPMNLPXWPE-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)O1 ZINC000409114230 1072382467 /nfs/dbraw/zinc/38/24/67/1072382467.db2.gz GOAIMEBBYVTZLS-QHCPKHFHSA-N 0 0 658.299 6.764 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)o1 ZINC000409329509 1072384480 /nfs/dbraw/zinc/38/44/80/1072384480.db2.gz DUNQRWJGAMEKEH-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN CCOc1cc(CNc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112861 1072387854 /nfs/dbraw/zinc/38/78/54/1072387854.db2.gz DMAWVQDIAHNFMH-UHFFFAOYSA-N 0 0 504.324 5.789 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 ZINC000409112553 1072388819 /nfs/dbraw/zinc/38/88/19/1072388819.db2.gz DWZLLOQZHSPASH-XMMPIXPASA-N 0 0 500.507 5.239 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409328946 1072388989 /nfs/dbraw/zinc/38/89/89/1072388989.db2.gz AVCVLRVWLNFALX-YDZHTSKRSA-N 0 0 548.577 5.589 40 5 KKBBRN CCc1ccccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409109832 1072398907 /nfs/dbraw/zinc/39/89/07/1072398907.db2.gz MHCAGTGWTFLQIV-UHFFFAOYSA-N 0 0 520.221 6.873 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409109002 1072401930 /nfs/dbraw/zinc/40/19/30/1072401930.db2.gz ZJWBTNXSWUSETJ-LBLGWMPZSA-N 0 0 665.753 5.184 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 ZINC000409107988 1072409993 /nfs/dbraw/zinc/40/99/93/1072409993.db2.gz TZKVTQWZNDQTEV-VULFUBBASA-N 0 0 656.511 6.409 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409107775 1072412748 /nfs/dbraw/zinc/41/27/48/1072412748.db2.gz QJZYJFLZDXCBGB-XGLKJEJJSA-N 0 0 648.770 5.847 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NC1CCCCC1 ZINC000409123399 1072416352 /nfs/dbraw/zinc/41/63/52/1072416352.db2.gz GDDBCBHBEFQEFN-DHUJRADRSA-N 0 0 604.707 6.784 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CC1CCCCC1 ZINC000409123092 1072418462 /nfs/dbraw/zinc/41/84/62/1072418462.db2.gz DROUBKHKXAHERA-CIAFOILYSA-N 0 0 704.324 7.000 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409122157 1072422963 /nfs/dbraw/zinc/42/29/63/1072422963.db2.gz ZXWIWACRGJMROA-MHRPSJHKSA-N 0 0 760.648 5.570 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409345483 1072425235 /nfs/dbraw/zinc/42/52/35/1072425235.db2.gz ISUJTPFDPAPBSN-MYYYXRDXSA-N 0 0 531.590 5.972 40 5 KKBBRN Cc1ccc(C)c(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 ZINC000409120939 1072429246 /nfs/dbraw/zinc/42/92/46/1072429246.db2.gz XHUXRFXIENNIKZ-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OC ZINC000409119967 1072432349 /nfs/dbraw/zinc/43/23/49/1072432349.db2.gz RLEUFMISFJOZHE-LJAQVGFWSA-N 0 0 509.562 5.973 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409343992 1072436502 /nfs/dbraw/zinc/43/65/02/1072436502.db2.gz JMMSQXQKTCTBPK-LJQANCHMSA-N 0 0 571.874 5.541 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000409118496 1072440081 /nfs/dbraw/zinc/44/00/81/1072440081.db2.gz QPHULRRTFLANBP-HHHXNRCGSA-N 0 0 528.406 6.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409342950 1072445316 /nfs/dbraw/zinc/44/53/16/1072445316.db2.gz HBZQPODSHNZDJO-GKTKDVHMSA-N 0 0 760.006 5.861 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409342193 1072450309 /nfs/dbraw/zinc/45/03/09/1072450309.db2.gz CRZWOZBFUDMWFX-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409126551 1072451529 /nfs/dbraw/zinc/45/15/29/1072451529.db2.gz CHOFFIDNCPZQSV-LPYMAVHISA-N 0 0 561.454 6.562 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409126594 1072452129 /nfs/dbraw/zinc/45/21/29/1072452129.db2.gz CXSSMSZLQXOTBC-NLRVBDNBSA-N 0 0 518.591 6.242 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3cccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341148 1072460392 /nfs/dbraw/zinc/46/03/92/1072460392.db2.gz CXDOZVBYUGNYSH-SAGCDJCOSA-N 0 0 619.699 5.747 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000409125184 1072460807 /nfs/dbraw/zinc/46/08/07/1072460807.db2.gz JJBBEYWGAPCLRA-IBGZPJMESA-N 0 0 570.981 5.253 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409137010 1072473575 /nfs/dbraw/zinc/47/35/75/1072473575.db2.gz UNSZBBGMWPSGQS-HSZRJFAPSA-N 0 0 650.543 5.792 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Br ZINC000409339285 1072477130 /nfs/dbraw/zinc/47/71/30/1072477130.db2.gz GVZDWOYCFHOEMX-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409136045 1072480764 /nfs/dbraw/zinc/48/07/64/1072480764.db2.gz WENAZSJBVBNPHH-WSDLNYQXSA-N 0 0 513.528 5.921 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409135822 1072483190 /nfs/dbraw/zinc/48/31/90/1072483190.db2.gz WCAIQPABPMGPSX-OEAKJJBVSA-N 0 0 622.481 6.794 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409338619 1072484789 /nfs/dbraw/zinc/48/47/89/1072484789.db2.gz NBMXVZXGUZTBMW-WYMPLXKRSA-N 0 0 664.456 7.967 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409338214 1072486669 /nfs/dbraw/zinc/48/66/69/1072486669.db2.gz FVYUYVHZLSBONN-ZMOGYAJESA-N 0 0 519.579 6.270 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134584 1072491196 /nfs/dbraw/zinc/49/11/96/1072491196.db2.gz WHXPYRSFKQLPTO-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1[N+](=O)[O-] ZINC000409337842 1072491700 /nfs/dbraw/zinc/49/17/00/1072491700.db2.gz XJOBCNZLLNEQTP-UHFFFAOYSA-N 0 0 564.645 5.230 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000409134237 1072492823 /nfs/dbraw/zinc/49/28/23/1072492823.db2.gz NIOHRDFCSMQPMN-MHZLTWQESA-N 0 0 528.406 6.719 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(OCC)cc3)c(=O)c2c1C ZINC000409134311 1072493346 /nfs/dbraw/zinc/49/33/46/1072493346.db2.gz ORNZDXSNTAWPNT-UHFFFAOYSA-N 0 0 549.596 7.185 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000409134234 1072494536 /nfs/dbraw/zinc/49/45/36/1072494536.db2.gz NIOHRDFCSMQPMN-HHHXNRCGSA-N 0 0 528.406 6.719 40 5 KKBBRN COc1cccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1OC ZINC000409133642 1072498809 /nfs/dbraw/zinc/49/88/09/1072498809.db2.gz LYDWMVREBPRXJD-LJAQVGFWSA-N 0 0 509.562 5.973 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409132853 1072502380 /nfs/dbraw/zinc/50/23/80/1072502380.db2.gz KGFRHKQLXXKEFO-KOEQRZSOSA-N 0 0 504.564 5.852 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N1Cc1ccccc1 ZINC000409131687 1072508538 /nfs/dbraw/zinc/50/85/38/1072508538.db2.gz YRUWGLFTTHXRGB-KXQOOQHDSA-N 0 0 605.694 8.688 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355533 1072509106 /nfs/dbraw/zinc/50/91/06/1072509106.db2.gz DGWMAHZWNXVPFZ-GKTKDVHMSA-N 0 0 760.006 5.861 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1CC1CCCCC1 ZINC000409130871 1072513413 /nfs/dbraw/zinc/51/34/13/1072513413.db2.gz NWRUAYWEUAORHG-WGOQTCKBSA-N 0 0 502.592 6.944 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409354099 1072518128 /nfs/dbraw/zinc/51/81/28/1072518128.db2.gz YBSBGZHDEZLEDF-ZMTYCLHQSA-N 0 0 871.491 6.956 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409352800 1072524733 /nfs/dbraw/zinc/52/47/33/1072524733.db2.gz DUKOPMPYUGKHBG-UQDCTOEPSA-N 0 0 648.535 5.356 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409144654 1072532831 /nfs/dbraw/zinc/53/28/31/1072532831.db2.gz YVZLSPHEEFTEGV-UPWSPCOFSA-N 0 0 680.208 5.707 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409143878 1072537500 /nfs/dbraw/zinc/53/75/00/1072537500.db2.gz OCRIJYGOUOGDGN-NULZLWRNSA-N 0 0 652.733 5.479 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409350907 1072538966 /nfs/dbraw/zinc/53/89/66/1072538966.db2.gz WEWLPLCEOVZYJH-UQDCTOEPSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409350695 1072541705 /nfs/dbraw/zinc/54/17/05/1072541705.db2.gz SARJTTXEZBVGMO-DBHVVYFFSA-N 0 0 775.621 6.360 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143046 1072543239 /nfs/dbraw/zinc/54/32/39/1072543239.db2.gz MRENUQWQSXIBMS-FHQMNNMHSA-N 0 0 784.585 5.505 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409350409 1072544079 /nfs/dbraw/zinc/54/40/79/1072544079.db2.gz YGEXIXOQSOMDNH-ZMOGYAJESA-N 0 0 562.560 6.094 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142226 1072549758 /nfs/dbraw/zinc/54/97/58/1072549758.db2.gz CMKKHYOFVJVTGT-GKTKDVHMSA-N 0 0 727.431 6.119 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141401 1072553186 /nfs/dbraw/zinc/55/31/86/1072553186.db2.gz NRQSGIWQJXQTTQ-XDYZZPCYSA-N 0 0 698.595 6.510 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 ZINC000409141365 1072554444 /nfs/dbraw/zinc/55/44/44/1072554444.db2.gz JLZBGAZPZJFGLD-SSEXGKCCSA-N 0 0 537.641 6.450 40 5 KKBBRN CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409364291 1072586073 /nfs/dbraw/zinc/58/60/73/1072586073.db2.gz XDUCRAGCXOOKFK-UHFFFAOYSA-N 0 0 543.820 5.078 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409145289 1072588696 /nfs/dbraw/zinc/58/86/96/1072588696.db2.gz NVHNFOMDIFCCOI-CVKSISIWSA-N 0 0 658.611 5.926 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000409157286 1072592031 /nfs/dbraw/zinc/59/20/31/1072592031.db2.gz PRBBXOLKXHUBFL-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2Cl)n1C ZINC000409362782 1072592491 /nfs/dbraw/zinc/59/24/91/1072592491.db2.gz SWJKPQPKZMRADE-UHFFFAOYSA-N 0 0 512.444 5.503 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl ZINC000409156867 1072592980 /nfs/dbraw/zinc/59/29/80/1072592980.db2.gz MDMDQOWYOPRDDP-WYMPLXKRSA-N 0 0 612.016 5.297 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl ZINC000409156526 1072595158 /nfs/dbraw/zinc/59/51/58/1072595158.db2.gz OQBLZRVYKWYQSK-ZMFRSBBQSA-N 0 0 619.055 6.103 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409156261 1072596677 /nfs/dbraw/zinc/59/66/77/1072596677.db2.gz NMWQCBRFDANOQA-WYMPLXKRSA-N 0 0 641.014 6.191 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409155537 1072599886 /nfs/dbraw/zinc/59/98/86/1072599886.db2.gz LNWQGDMIWXXHQH-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409154475 1072606127 /nfs/dbraw/zinc/60/61/27/1072606127.db2.gz BCLGLVJDKUQLQF-WSDLNYQXSA-N 0 0 578.559 5.596 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360103 1072608723 /nfs/dbraw/zinc/60/87/23/1072608723.db2.gz OZORDOMBFIRBHE-GEYGMGCISA-N 0 0 789.648 6.750 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409152661 1072616435 /nfs/dbraw/zinc/61/64/35/1072616435.db2.gz FWZKMKOHFSNPMZ-YDZHTSKRSA-N 0 0 648.329 7.334 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409152527 1072617540 /nfs/dbraw/zinc/61/75/40/1072617540.db2.gz JFYOETHIJSSWNA-VYYCAZPPSA-N 0 0 718.162 5.965 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)cc1 ZINC000409151751 1072622898 /nfs/dbraw/zinc/62/28/98/1072622898.db2.gz BZFMFBQERNBNAX-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409376475 1072629029 /nfs/dbraw/zinc/62/90/29/1072629029.db2.gz AZVIMGMVBCVWSQ-NRFANRHFSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(Br)cc1 ZINC000409150315 1072629528 /nfs/dbraw/zinc/62/95/28/1072629528.db2.gz BJGXEIOFNDOAMZ-OEAKJJBVSA-N 0 0 517.404 6.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409149955 1072632566 /nfs/dbraw/zinc/63/25/66/1072632566.db2.gz WNCFCQXAAGIZKP-OXDPQRGISA-N 0 0 679.780 5.410 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409149846 1072634151 /nfs/dbraw/zinc/63/41/51/1072634151.db2.gz SFWMYZCIWSRQLX-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409149407 1072637211 /nfs/dbraw/zinc/63/72/11/1072637211.db2.gz FJBWUYZAOIEVBY-NULZLWRNSA-N 0 0 669.188 5.994 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148168 1072643847 /nfs/dbraw/zinc/64/38/47/1072643847.db2.gz XMOFVDGVRMUFBL-XMMPIXPASA-N 0 0 532.626 5.217 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409148032 1072644867 /nfs/dbraw/zinc/64/48/67/1072644867.db2.gz OGFIVQPYPFQIKD-JOCHJYFZSA-N 0 0 602.669 5.237 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409147678 1072646925 /nfs/dbraw/zinc/64/69/25/1072646925.db2.gz YOTYITQEYJLHDS-MXLMUYMQSA-N 0 0 714.225 6.064 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409147591 1072648434 /nfs/dbraw/zinc/64/84/34/1072648434.db2.gz XTJFNDGWIVEWEO-AFUMVMLFSA-N 0 0 707.481 6.680 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000409371408 1072649666 /nfs/dbraw/zinc/64/96/66/1072649666.db2.gz CIIMANMKCDREBF-FMCGGJTJSA-N 0 0 519.579 6.072 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409371220 1072650220 /nfs/dbraw/zinc/65/02/20/1072650220.db2.gz BPMSOFWJGRDFEW-AFUMVMLFSA-N 0 0 654.539 6.935 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409165519 1072654133 /nfs/dbraw/zinc/65/41/33/1072654133.db2.gz YZDASWAAZGJOLE-BRJLIKDPSA-N 0 0 694.040 7.310 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000409165206 1072655414 /nfs/dbraw/zinc/65/54/14/1072655414.db2.gz UTYJYBWQZFVTIK-MXAYSNPKSA-N 0 0 558.641 5.995 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409164311 1072661164 /nfs/dbraw/zinc/66/11/64/1072661164.db2.gz GNTNJQIAKILOGJ-KEBDBYFISA-N 0 0 576.370 5.623 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409163307 1072664887 /nfs/dbraw/zinc/66/48/87/1072664887.db2.gz PKEOQERRKQCTOE-FBHDLOMBSA-N 0 0 503.363 7.015 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409163066 1072666514 /nfs/dbraw/zinc/66/65/14/1072666514.db2.gz LJUXBEPUGNFQRP-FOKLQQMPSA-N 0 0 657.013 5.809 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409161136 1072678833 /nfs/dbraw/zinc/67/88/33/1072678833.db2.gz WWRPSCVEIWLDIH-ZVHZXABRSA-N 0 0 598.033 6.449 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409160961 1072679335 /nfs/dbraw/zinc/67/93/35/1072679335.db2.gz RRAWAXIMSHFMFM-BHGWPJFGSA-N 0 0 742.910 8.064 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409160343 1072684081 /nfs/dbraw/zinc/68/40/81/1072684081.db2.gz XZFAIOBSDULVQN-WYMPLXKRSA-N 0 0 641.014 6.191 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409159959 1072685111 /nfs/dbraw/zinc/68/51/11/1072685111.db2.gz CWUOQRGXDJBYQS-XQNWCSQWSA-N 0 0 645.763 5.053 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409159864 1072686150 /nfs/dbraw/zinc/68/61/50/1072686150.db2.gz ARXUDSPHPREINB-ZCWBPALNSA-N 0 0 638.529 5.901 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409159361 1072688030 /nfs/dbraw/zinc/68/80/30/1072688030.db2.gz TVLMZWDJJUWTAZ-BHGWPJFGSA-N 0 0 657.013 5.809 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409159447 1072688555 /nfs/dbraw/zinc/68/85/55/1072688555.db2.gz ZZQGHOHVCHIPQI-NHDPSOOVSA-N 0 0 513.369 6.471 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409159249 1072689079 /nfs/dbraw/zinc/68/90/79/1072689079.db2.gz ZSWFIVHKSFIJHS-WSDLNYQXSA-N 0 0 604.424 6.403 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409159092 1072690103 /nfs/dbraw/zinc/69/01/03/1072690103.db2.gz PYTALCRULSTOQB-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409158575 1072693735 /nfs/dbraw/zinc/69/37/35/1072693735.db2.gz OYPCMECWGYNXAW-RGVLZGJSSA-N 0 0 529.983 5.905 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409158208 1072694538 /nfs/dbraw/zinc/69/45/38/1072694538.db2.gz SFYIDHNDEFEDNF-WSDLNYQXSA-N 0 0 523.954 5.502 40 5 KKBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409158134 1072695902 /nfs/dbraw/zinc/69/59/02/1072695902.db2.gz NTMUOMASHZPFIM-RGFRMHDHSA-N 0 0 617.680 5.072 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409157647 1072697635 /nfs/dbraw/zinc/69/76/35/1072697635.db2.gz WFDYJYUPBAXQQX-WSDLNYQXSA-N 0 0 523.592 5.869 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409157674 1072697730 /nfs/dbraw/zinc/69/77/30/1072697730.db2.gz VNJKZOBOOHVFBO-AUEPDCJTSA-N 0 0 728.883 7.674 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409384210 1072699351 /nfs/dbraw/zinc/69/93/51/1072699351.db2.gz CDOYYTIWRTYXQA-YSMPRRRNSA-N 0 0 699.523 5.798 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409157299 1072699648 /nfs/dbraw/zinc/69/96/48/1072699648.db2.gz IHESKJKCQIISHK-AUEPDCJTSA-N 0 0 665.986 6.530 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409166948 1072700648 /nfs/dbraw/zinc/70/06/48/1072700648.db2.gz HCANEIYVWFMEOR-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN Cn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl ZINC000409167167 1072700658 /nfs/dbraw/zinc/70/06/58/1072700658.db2.gz HPWVWSDWIJHZDG-UHFFFAOYSA-N 0 0 521.411 5.551 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409166795 1072701596 /nfs/dbraw/zinc/70/15/96/1072701596.db2.gz GQEDEMDWQXNHIZ-ZVHZXABRSA-N 0 0 626.485 6.318 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176830 1072706355 /nfs/dbraw/zinc/70/63/55/1072706355.db2.gz YWQKLUZPKYVUOP-AREMUKBSSA-N 0 0 548.960 7.089 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176752 1072706870 /nfs/dbraw/zinc/70/68/70/1072706870.db2.gz WQHJEGTYLSTEHW-DXUGRCAZSA-N 0 0 619.699 5.747 40 5 KKBBRN Nc1c(Br)cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000409176843 1072706900 /nfs/dbraw/zinc/70/69/00/1072706900.db2.gz ZFNYTCLNSQBTHA-FQEVSTJZSA-N 0 0 534.160 5.483 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409176400 1072707581 /nfs/dbraw/zinc/70/75/81/1072707581.db2.gz MMERMJWENNNZEI-MUUNZHRXSA-N 0 0 529.570 5.658 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177016 1072708159 /nfs/dbraw/zinc/70/81/59/1072708159.db2.gz ASVLANKCTYJOOE-AREMUKBSSA-N 0 0 535.961 5.862 40 5 KKBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O ZINC000409177077 1072708566 /nfs/dbraw/zinc/70/85/66/1072708566.db2.gz CJMDNDMNRJREGU-UHFFFAOYSA-N 0 0 524.485 5.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409381271 1072711782 /nfs/dbraw/zinc/71/17/82/1072711782.db2.gz SNXZHTUTCUESSP-OAQYLSRUSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCc2ccccc2C1 ZINC000409380886 1072715426 /nfs/dbraw/zinc/71/54/26/1072715426.db2.gz BNONDKLJKWMGLE-CFRMEGHHSA-N 0 0 598.464 6.102 40 5 KKBBRN CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409175187 1072717899 /nfs/dbraw/zinc/71/78/99/1072717899.db2.gz WZUAMRGCVWFDPJ-JOCHJYFZSA-N 0 0 669.879 5.173 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174604 1072721321 /nfs/dbraw/zinc/72/13/21/1072721321.db2.gz VLMAKSHRRKPFMQ-UHFFFAOYSA-N 0 0 623.087 5.329 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl ZINC000409173824 1072725093 /nfs/dbraw/zinc/72/50/93/1072725093.db2.gz KOXSWMPJFJXLIL-UHFFFAOYSA-N 0 0 515.020 5.689 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409173426 1072727763 /nfs/dbraw/zinc/72/77/63/1072727763.db2.gz MVXOEDWRUNVYDK-UHFFFAOYSA-N 0 0 547.501 6.712 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409173182 1072729968 /nfs/dbraw/zinc/72/99/68/1072729968.db2.gz HGJAVMBNRQHPCZ-UFFVCSGVSA-N 0 0 656.820 7.497 40 5 KKBBRN O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2C1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409172943 1072729974 /nfs/dbraw/zinc/72/99/74/1072729974.db2.gz JNXFNNGVCDLEDL-UHFFFAOYSA-N 0 0 828.526 7.456 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409171793 1072737171 /nfs/dbraw/zinc/73/71/71/1072737171.db2.gz ANKMCXFGFTZZLC-KEBDBYFISA-N 0 0 558.772 5.696 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409171434 1072741010 /nfs/dbraw/zinc/74/10/10/1072741010.db2.gz BIKBYSCSDJXLLU-BHGWPJFGSA-N 0 0 703.467 5.581 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409170540 1072745153 /nfs/dbraw/zinc/74/51/53/1072745153.db2.gz WDOFVFKJTHFVGV-WGOQTCKBSA-N 0 0 577.615 5.646 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)cc1 ZINC000409170576 1072745174 /nfs/dbraw/zinc/74/51/74/1072745174.db2.gz VOCDDZRHHSKBDK-UFFVCSGVSA-N 0 0 640.365 6.983 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl ZINC000409170210 1072746084 /nfs/dbraw/zinc/74/60/84/1072746084.db2.gz TUEGUTRKFSMDSS-LPYMAVHISA-N 0 0 569.979 5.750 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409170431 1072746164 /nfs/dbraw/zinc/74/61/64/1072746164.db2.gz VRAQUQSOJZGPBL-WYMPLXKRSA-N 0 0 664.014 7.301 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409169057 1072751920 /nfs/dbraw/zinc/75/19/20/1072751920.db2.gz OMGGLOVZAHDNPC-CFRMEGHHSA-N 0 0 646.530 7.295 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398275 1072753021 /nfs/dbraw/zinc/75/30/21/1072753021.db2.gz CLARQDGAOQFPCG-WSVATBPTSA-N 0 0 665.247 5.180 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409168598 1072753860 /nfs/dbraw/zinc/75/38/60/1072753860.db2.gz MSOVWGIZXKOGPL-SRZZPIQSSA-N 0 0 568.495 5.118 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409167978 1072756721 /nfs/dbraw/zinc/75/67/21/1072756721.db2.gz KMNYGIFJJYVUNS-FOKLQQMPSA-N 0 0 626.987 5.800 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409168029 1072757245 /nfs/dbraw/zinc/75/72/45/1072757245.db2.gz KRVJSGORTDIMDG-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409184962 1072773500 /nfs/dbraw/zinc/77/35/00/1072773500.db2.gz ZLUGLWCIQXXREO-AFUMVMLFSA-N 0 0 615.586 7.042 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000409184922 1072773565 /nfs/dbraw/zinc/77/35/65/1072773565.db2.gz YVCGPAOTJMLIEZ-LJAQVGFWSA-N 0 0 522.944 7.244 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)C2=O)o1 ZINC000409402929 1072773598 /nfs/dbraw/zinc/77/35/98/1072773598.db2.gz XRDUDGQFMYTMGQ-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409184171 1072778027 /nfs/dbraw/zinc/77/80/27/1072778027.db2.gz XRRKSWFNYMBMOL-MFKUBSTISA-N 0 0 640.512 6.572 40 5 KKBBRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409183924 1072779961 /nfs/dbraw/zinc/77/99/61/1072779961.db2.gz VGKQGTRCDAYDRP-UHFFFAOYSA-N 0 0 624.911 6.900 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C4=O)cc2)cc1 ZINC000409183523 1072783110 /nfs/dbraw/zinc/78/31/10/1072783110.db2.gz VAHZCOFOENXOMV-UHFFFAOYSA-N 0 0 578.533 5.271 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409183026 1072786254 /nfs/dbraw/zinc/78/62/54/1072786254.db2.gz RMZSZYNGZHZDJQ-SANMLTNESA-N 0 0 551.467 5.085 40 5 KKBBRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000409182929 1072787224 /nfs/dbraw/zinc/78/72/24/1072787224.db2.gz QEZNSXWZXXVSOO-UHFFFAOYSA-N 0 0 532.814 5.107 40 5 KKBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409182353 1072791510 /nfs/dbraw/zinc/79/15/10/1072791510.db2.gz KGGAOTWDHQTVCJ-HHHXNRCGSA-N 0 0 536.496 5.185 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000409182236 1072792450 /nfs/dbraw/zinc/79/24/50/1072792450.db2.gz JJRVFBYBROUGBD-MHZLTWQESA-N 0 0 515.543 5.517 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409182058 1072792959 /nfs/dbraw/zinc/79/29/59/1072792959.db2.gz IFERSNMWPPIUKO-YDZHTSKRSA-N 0 0 548.533 5.533 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182069 1072792980 /nfs/dbraw/zinc/79/29/80/1072792980.db2.gz IDFMCUNHINEUDC-UHFFFAOYSA-N 0 0 536.031 5.121 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181658 1072796042 /nfs/dbraw/zinc/79/60/42/1072796042.db2.gz FSIBLAODFRLBET-AREMUKBSSA-N 0 0 501.516 5.209 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000409181084 1072800567 /nfs/dbraw/zinc/80/05/67/1072800567.db2.gz VSHAASJPODPVME-SANMLTNESA-N 0 0 575.360 6.483 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409180872 1072801769 /nfs/dbraw/zinc/80/17/69/1072801769.db2.gz SZOZYBWJVROVNF-HHHXNRCGSA-N 0 0 565.494 5.393 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180860 1072802037 /nfs/dbraw/zinc/80/20/37/1072802037.db2.gz WLTQIAZXIBEUBB-RDWAJZFBSA-N 0 0 750.833 5.526 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 ZINC000409180337 1072805467 /nfs/dbraw/zinc/80/54/67/1072805467.db2.gz WLJNGCAMYUUAAP-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C ZINC000409180218 1072806233 /nfs/dbraw/zinc/80/62/33/1072806233.db2.gz QAUQUAFCTVHXOS-UUWRZZSWSA-N 0 0 626.621 7.586 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409179749 1072808721 /nfs/dbraw/zinc/80/87/21/1072808721.db2.gz SYCVKVQMYZSUHA-VWLOTQADSA-N 0 0 548.960 7.089 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000409179165 1072812346 /nfs/dbraw/zinc/81/23/46/1072812346.db2.gz PQTNRDDLXXHZCY-UHFFFAOYSA-N 0 0 628.977 5.625 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409178808 1072814186 /nfs/dbraw/zinc/81/41/86/1072814186.db2.gz IPXHNLWAOLDUQS-UHFFFAOYSA-N 0 0 596.901 7.217 40 5 KKBBRN CCc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178844 1072814223 /nfs/dbraw/zinc/81/42/23/1072814223.db2.gz IWSNIVZZXGCHRE-NDEPHWFRSA-N 0 0 534.524 5.739 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178790 1072814240 /nfs/dbraw/zinc/81/42/40/1072814240.db2.gz IIOROFGLXQNHAG-WLNFRNCRSA-N 0 0 668.555 5.909 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409178529 1072816314 /nfs/dbraw/zinc/81/63/14/1072816314.db2.gz KSNXXKZWJSZIMQ-UHFFFAOYSA-N 0 0 510.933 7.613 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409178352 1072816861 /nfs/dbraw/zinc/81/68/61/1072816861.db2.gz GSFJRHVBEQHYPO-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178442 1072817260 /nfs/dbraw/zinc/81/72/60/1072817260.db2.gz IFSMDAPKVQBNKV-DBHVVYFFSA-N 0 0 728.621 6.518 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc2)C3=O)cc1C ZINC000409178416 1072817273 /nfs/dbraw/zinc/81/72/73/1072817273.db2.gz HNDJZLNBVPCCKB-UHFFFAOYSA-N 0 0 614.610 7.954 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)cc2)cc1 ZINC000409178233 1072817851 /nfs/dbraw/zinc/81/78/51/1072817851.db2.gz JWXBRDMYEYFVMY-UHFFFAOYSA-N 0 0 556.483 5.863 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409177943 1072819907 /nfs/dbraw/zinc/81/99/07/1072819907.db2.gz HMQJZAIIDGQIAX-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177750 1072820309 /nfs/dbraw/zinc/82/03/09/1072820309.db2.gz COYFUZOQXMGCJH-AREMUKBSSA-N 0 0 535.961 5.862 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177991 1072820404 /nfs/dbraw/zinc/82/04/04/1072820404.db2.gz FRIZBGGXJJTWKI-HHHXNRCGSA-N 0 0 570.941 5.838 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409177632 1072821954 /nfs/dbraw/zinc/82/19/54/1072821954.db2.gz BEKOZDGJGGNKNA-UHFFFAOYSA-N 0 0 502.504 6.804 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409177479 1072822372 /nfs/dbraw/zinc/82/23/72/1072822372.db2.gz BFPYKJNGRYOFDU-UHFFFAOYSA-N 0 0 553.483 5.761 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409177308 1072823677 /nfs/dbraw/zinc/82/36/77/1072823677.db2.gz DDEUODCDVCVOTQ-VWLOTQADSA-N 0 0 522.340 7.475 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409193317 1072824729 /nfs/dbraw/zinc/82/47/29/1072824729.db2.gz IUVVDZOVDWYZEJ-OKSYWBHRSA-N 0 0 588.164 5.676 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196818 1072829463 /nfs/dbraw/zinc/82/94/63/1072829463.db2.gz YATNVLXFNVZECO-JFLMPSFJSA-N 0 0 683.537 5.457 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196453 1072830828 /nfs/dbraw/zinc/83/08/28/1072830828.db2.gz VWWBPCRBAOIJMI-UHFFFAOYSA-N 0 0 573.214 7.096 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409196471 1072831064 /nfs/dbraw/zinc/83/10/64/1072831064.db2.gz WFELKXFNEPDTHQ-KOEQRZSOSA-N 0 0 504.564 5.852 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409194944 1072840525 /nfs/dbraw/zinc/84/05/25/1072840525.db2.gz RELXYTUZEZNECT-KEQCBNTKSA-N 0 0 693.594 5.950 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409194710 1072841109 /nfs/dbraw/zinc/84/11/09/1072841109.db2.gz QKAIVMFJMFOFPK-YIECNSLDSA-N 0 0 761.694 7.148 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409194039 1072846518 /nfs/dbraw/zinc/84/65/18/1072846518.db2.gz MRPLPEGXWPUXIM-LXYLXTGBSA-N 0 0 723.620 5.958 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409193205 1072851475 /nfs/dbraw/zinc/85/14/75/1072851475.db2.gz FGUANCODVJQQGM-JVWAILMASA-N 0 0 649.638 5.206 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409193056 1072852693 /nfs/dbraw/zinc/85/26/93/1072852693.db2.gz HQAFASMRQXHMBX-RGFRMHDHSA-N 0 0 705.193 5.929 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409192204 1072855850 /nfs/dbraw/zinc/85/58/50/1072855850.db2.gz VPPKJBVOARNBAL-RGFRMHDHSA-N 0 0 721.648 6.443 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000409192282 1072856782 /nfs/dbraw/zinc/85/67/82/1072856782.db2.gz WEVDRPWVJICUDJ-OQYQGTIFSA-N 0 0 688.281 6.109 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191908 1072858121 /nfs/dbraw/zinc/85/81/21/1072858121.db2.gz QBQRXQCOWZQRCJ-VNOBABJFSA-N 0 0 782.735 8.149 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000409191871 1072859604 /nfs/dbraw/zinc/85/96/04/1072859604.db2.gz PGWLZOGFMAWSPH-JEUHMODBSA-N 0 0 612.230 6.392 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409191398 1072862869 /nfs/dbraw/zinc/86/28/69/1072862869.db2.gz GMJFNUXDDINXCN-FZEVDNDPSA-N 0 0 780.716 6.272 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409190958 1072866264 /nfs/dbraw/zinc/86/62/64/1072866264.db2.gz CTGHWYVZDUDJHH-HCYZRJLASA-N 0 0 553.752 5.974 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409190457 1072868900 /nfs/dbraw/zinc/86/89/00/1072868900.db2.gz NWOQKVQRBRYQQI-HJLOVEEGSA-N 0 0 504.882 5.220 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409190203 1072870901 /nfs/dbraw/zinc/87/09/01/1072870901.db2.gz MOSJCLQNXZCRRI-UAMLYEQYSA-N 0 0 747.255 5.807 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409190162 1072871129 /nfs/dbraw/zinc/87/11/29/1072871129.db2.gz LSHXPAUWASKKFY-WBDHZMATSA-N 0 0 519.307 5.321 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409189479 1072875554 /nfs/dbraw/zinc/87/55/54/1072875554.db2.gz GZQJPVHFCAATJO-BQCQJZCVSA-N 0 0 820.136 7.749 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409189209 1072877998 /nfs/dbraw/zinc/87/79/98/1072877998.db2.gz FTSXJIALNXOGFB-LPYMAVHISA-N 0 0 636.851 7.071 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409188847 1072879298 /nfs/dbraw/zinc/87/92/98/1072879298.db2.gz GWLOYWPRWMYUOI-KOTFUQRNSA-N 0 0 519.307 5.321 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000409188850 1072879407 /nfs/dbraw/zinc/87/94/07/1072879407.db2.gz BBBGJGIUEKLFSB-ZCWBPALNSA-N 0 0 753.646 5.967 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409188977 1072880463 /nfs/dbraw/zinc/88/04/63/1072880463.db2.gz LVNIBKIXDHFIQD-GAPLDZIPSA-N 0 0 864.587 7.858 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000409188663 1072882140 /nfs/dbraw/zinc/88/21/40/1072882140.db2.gz JIUJDVJPFKRPNY-ZKFMPHTQSA-N 0 0 688.281 6.109 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409206735 1072889869 /nfs/dbraw/zinc/88/98/69/1072889869.db2.gz WSDZRSZBFKCOJV-FYJGNVAPSA-N 0 0 640.452 5.557 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCN(c2ccccc2)CC1 ZINC000409206355 1072893297 /nfs/dbraw/zinc/89/32/97/1072893297.db2.gz VFJPPHNGFWDIMF-PCLIKHOPSA-N 0 0 612.586 5.791 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205692 1072896046 /nfs/dbraw/zinc/89/60/46/1072896046.db2.gz FCIMOSYACDQVCZ-NGZBARDMSA-N 0 0 593.452 5.713 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409204996 1072901544 /nfs/dbraw/zinc/90/15/44/1072901544.db2.gz FCMDKUJVFWRCGS-YDZHTSKRSA-N 0 0 551.849 7.084 40 5 KKBBRN Brc1c2ccccc2c(-c2cc(-c3c4ccccc4c(Br)c4ccccc43)cc(-c3c4ccccc4c(Br)c4ccccc43)c2)c2ccccc12 ZINC000150365891 1072901905 /nfs/dbraw/zinc/90/19/05/1072901905.db2.gz UIWRSFHUJUCHDA-UHFFFAOYSA-N 0 0 843.456 15.894 40 5 KKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000409204508 1072903999 /nfs/dbraw/zinc/90/39/99/1072903999.db2.gz HNFRTGFQUJSDRZ-YCNYHXFESA-N 0 0 526.017 7.390 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409204351 1072904595 /nfs/dbraw/zinc/90/45/95/1072904595.db2.gz GEDSUEUAVDONSN-ZMOGYAJESA-N 0 0 533.562 5.166 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409204294 1072906630 /nfs/dbraw/zinc/90/66/30/1072906630.db2.gz FJVHGWBVPJLDEH-ODLFYWEKSA-N 0 0 561.801 5.476 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409202120 1072915520 /nfs/dbraw/zinc/91/55/20/1072915520.db2.gz ZUNJUKUHDMYHFG-DHRITJCHSA-N 0 0 547.589 5.474 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c(C)c1 ZINC000409201788 1072916473 /nfs/dbraw/zinc/91/64/73/1072916473.db2.gz XZDPQLAYLSKDBT-MTJSOVHGSA-N 0 0 504.524 5.074 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409201334 1072918192 /nfs/dbraw/zinc/91/81/92/1072918192.db2.gz LOQJEVMIPHJTPB-SRZZPIQSSA-N 0 0 575.824 6.839 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409200276 1072922868 /nfs/dbraw/zinc/92/28/68/1072922868.db2.gz RDQRZDANZRKBHW-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409199047 1072927379 /nfs/dbraw/zinc/92/73/79/1072927379.db2.gz GUJMNWJHJPMXGL-BNCCVWRVSA-N 0 0 544.756 5.017 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409198546 1072929603 /nfs/dbraw/zinc/92/96/03/1072929603.db2.gz HSSHQVWTYRHNJP-RGVLZGJSSA-N 0 0 575.828 5.536 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409198178 1072932392 /nfs/dbraw/zinc/93/23/92/1072932392.db2.gz ZCZVJTLPPRAKGM-DJKKODMXSA-N 0 0 641.681 6.708 40 5 KKBBRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197381 1072936079 /nfs/dbraw/zinc/93/60/79/1072936079.db2.gz DFYIETFNPVGCBR-UHFFFAOYSA-N 0 0 559.187 6.706 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409207748 1072940926 /nfs/dbraw/zinc/94/09/26/1072940926.db2.gz ZCFCQTACYMBRGN-CIAFOILYSA-N 0 0 509.565 5.560 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409216512 1072945936 /nfs/dbraw/zinc/94/59/36/1072945936.db2.gz ISOQKWUBYSMETN-FOKLQQMPSA-N 0 0 589.851 7.229 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409227117 1072971191 /nfs/dbraw/zinc/97/11/91/1072971191.db2.gz OXERTHGJQAJRSS-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409226022 1072976673 /nfs/dbraw/zinc/97/66/73/1072976673.db2.gz RHHDWIBZRJKHJV-FMCGGJTJSA-N 0 0 617.455 5.353 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409224521 1072982821 /nfs/dbraw/zinc/98/28/21/1072982821.db2.gz KTXCVVHHCCZBDP-MSXFZWOLSA-N 0 0 626.441 5.303 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409223848 1072986302 /nfs/dbraw/zinc/98/63/02/1072986302.db2.gz IWZAWQPAFYDXNC-WYMPLXKRSA-N 0 0 585.997 6.040 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409222649 1072992125 /nfs/dbraw/zinc/99/21/25/1072992125.db2.gz CWXMJHSFFHTXMJ-BHGWPJFGSA-N 0 0 662.312 6.627 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409221707 1072997060 /nfs/dbraw/zinc/99/70/60/1072997060.db2.gz ADDQHSGLTAEICN-FSJBWODESA-N 0 0 558.490 6.334 40 5 KKBBRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409221490 1072999211 /nfs/dbraw/zinc/99/92/11/1072999211.db2.gz QZPNEYYRJKXSTO-LICLKQGHSA-N 0 0 539.180 5.002 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409217935 1073014013 /nfs/dbraw/zinc/01/40/13/1073014013.db2.gz RTAVUIIBMMSXMO-SRZZPIQSSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409217970 1073014025 /nfs/dbraw/zinc/01/40/25/1073014025.db2.gz GKBCGOKGODDKRG-ODCIPOBUSA-N 0 0 674.810 7.636 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409230122 1073016593 /nfs/dbraw/zinc/01/65/93/1073016593.db2.gz BPDOBWPKYZROTA-WSDLNYQXSA-N 0 0 552.381 5.428 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)Nc1cccc(F)c1 ZINC000409229454 1073020066 /nfs/dbraw/zinc/02/00/66/1073020066.db2.gz PFLDCUSCGOFLRO-CVKSISIWSA-N 0 0 557.559 6.141 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1Cl ZINC000409229303 1073021303 /nfs/dbraw/zinc/02/13/03/1073021303.db2.gz MXRDPOTXOUOEFH-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409228570 1073025686 /nfs/dbraw/zinc/02/56/86/1073025686.db2.gz ZIRHLMSDPUAKAO-WOJGMQOQSA-N 0 0 524.336 5.225 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409227949 1073030249 /nfs/dbraw/zinc/03/02/49/1073030249.db2.gz XXFUKZNDJIJDQZ-WSDLNYQXSA-N 0 0 552.381 5.346 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409235264 1073046015 /nfs/dbraw/zinc/04/60/15/1073046015.db2.gz AXQYYTJYQHIQHN-ZVHZXABRSA-N 0 0 598.033 5.910 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 ZINC000409233779 1073054391 /nfs/dbraw/zinc/05/43/91/1073054391.db2.gz XDVBRKZNRVZTKD-UFFVCSGVSA-N 0 0 538.469 5.109 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Cl ZINC000409230431 1073070632 /nfs/dbraw/zinc/07/06/32/1073070632.db2.gz DBWGSTZLGUADPM-GRSHGNNSSA-N 0 0 518.334 5.837 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl ZINC000409242211 1073098133 /nfs/dbraw/zinc/09/81/33/1073098133.db2.gz VOGJVFISNFEWST-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)Nc1cccc(F)c1 ZINC000409240268 1073108927 /nfs/dbraw/zinc/10/89/27/1073108927.db2.gz PHNWXSYFEZBNKI-WYMPLXKRSA-N 0 0 530.537 5.412 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1cccc(F)c1 ZINC000409238844 1073117938 /nfs/dbraw/zinc/11/79/38/1073117938.db2.gz LNVHIAGDXMLVMA-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409250376 1073135884 /nfs/dbraw/zinc/13/58/84/1073135884.db2.gz KOSMLTGTNDFQIF-NHDPSOOVSA-N 0 0 646.375 5.575 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409255115 1073169105 /nfs/dbraw/zinc/16/91/05/1073169105.db2.gz KMNRWTFDKXXXCV-ZMOGYAJESA-N 0 0 689.440 6.005 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F ZINC000409253709 1073178507 /nfs/dbraw/zinc/17/85/07/1073178507.db2.gz GMLWVZOABUUVDR-ODCIPOBUSA-N 0 0 658.355 7.122 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409252499 1073186130 /nfs/dbraw/zinc/18/61/30/1073186130.db2.gz SVCAWUFZLICIQP-ZVBGSRNCSA-N 0 0 652.401 6.037 40 5 KKBBRN Cc1oc2c(cc3c(C)c(CC(=O)N4C[C@H]5C[C@@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)c(=O)oc3c2C)c1-c1ccccc1 ZINC001547206031 1073190463 /nfs/dbraw/zinc/19/04/63/1073190463.db2.gz JSLVYTRTXPUTBZ-IRLDBZIGSA-N 0 0 579.609 5.390 40 5 KKBBRN O=C(O[C@H]1OC(COCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001560405386 1073194406 /nfs/dbraw/zinc/19/44/06/1073194406.db2.gz UMFOTMXQRKMRKJ-CQTOTRCISA-N 0 0 567.594 6.339 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 ZINC000409266320 1073202802 /nfs/dbraw/zinc/20/28/02/1073202802.db2.gz XWPFDJHTZHJSOM-UUYOSTAYSA-N 0 0 694.301 6.216 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1Cl ZINC000409263022 1073219345 /nfs/dbraw/zinc/21/93/45/1073219345.db2.gz JYRGIQMZLLSNLJ-KSEXSDGBSA-N 0 0 618.045 5.008 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409261273 1073227680 /nfs/dbraw/zinc/22/76/80/1073227680.db2.gz CEJPSAAOPVYMDN-ZMOGYAJESA-N 0 0 631.888 6.908 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C1=O)Nc1ccc(I)cc1 ZINC000409261147 1073228752 /nfs/dbraw/zinc/22/87/52/1073228752.db2.gz ANEKYTRPPWLJLU-CFRMEGHHSA-N 0 0 638.443 5.877 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409260532 1073232674 /nfs/dbraw/zinc/23/26/74/1073232674.db2.gz RQFQJJPWQHWYCC-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409259282 1073240687 /nfs/dbraw/zinc/24/06/87/1073240687.db2.gz YNJVLMDJKANJDY-JVWAILMASA-N 0 0 662.518 7.163 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409259144 1073241432 /nfs/dbraw/zinc/24/14/32/1073241432.db2.gz ZUUBIRDPZOAJOJ-UHFFFAOYSA-N 0 0 541.935 5.718 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409258321 1073247185 /nfs/dbraw/zinc/24/71/85/1073247185.db2.gz UJTFPUDSJBJMBN-SSDVNMTOSA-N 0 0 650.276 6.757 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)cc1F ZINC000409272363 1073255010 /nfs/dbraw/zinc/25/50/10/1073255010.db2.gz GGHZMHDBTNGJFV-DJKKODMXSA-N 0 0 519.869 5.461 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F ZINC000409272457 1073255730 /nfs/dbraw/zinc/25/57/30/1073255730.db2.gz GUQTYDQIXCZXTL-ZVBGSRNCSA-N 0 0 579.459 6.359 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409272219 1073256871 /nfs/dbraw/zinc/25/68/71/1073256871.db2.gz MMWYTPAPUHBOTR-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409271920 1073258591 /nfs/dbraw/zinc/25/85/91/1073258591.db2.gz FEAZZLFPGZLYDC-LSHDLFTRSA-N 0 0 598.977 5.941 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409271987 1073259243 /nfs/dbraw/zinc/25/92/43/1073259243.db2.gz XDQOONFSFKXGEO-LSFURLLWSA-N 0 0 609.485 6.368 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409271361 1073264210 /nfs/dbraw/zinc/26/42/10/1073264210.db2.gz BUXULBUKUGLXJS-JVWAILMASA-N 0 0 573.627 5.194 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000409270980 1073266867 /nfs/dbraw/zinc/26/68/67/1073266867.db2.gz SJXBXFRLNRKMFU-UKWGHVSLSA-N 0 0 599.768 8.063 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n21 ZINC000409270540 1073269708 /nfs/dbraw/zinc/26/97/08/1073269708.db2.gz HDZROWBZXDRQTN-ZJTZAHLKSA-N 0 0 669.598 5.102 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(-c3nc4ccccc4s3)cc2Br)cc1 ZINC000409270392 1073271022 /nfs/dbraw/zinc/27/10/22/1073271022.db2.gz FGDBOEYWBPJELU-UHFFFAOYSA-N 0 0 520.202 6.976 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269453 1073276783 /nfs/dbraw/zinc/27/67/83/1073276783.db2.gz BVCOCESXGDIIHN-MWLSYYOVSA-N 0 0 547.592 6.670 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409269488 1073277175 /nfs/dbraw/zinc/27/71/75/1073277175.db2.gz CFTWUIBKOLIVNO-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269501 1073277217 /nfs/dbraw/zinc/27/72/17/1073277217.db2.gz CIICSYOZRNKMCL-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409269295 1073277863 /nfs/dbraw/zinc/27/78/63/1073277863.db2.gz AVDKXNMVOIDREZ-DICXZTSXSA-N 0 0 589.626 5.664 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409269312 1073278248 /nfs/dbraw/zinc/27/82/48/1073278248.db2.gz BBFLXPDQAXYCLW-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)CC1 ZINC000409269051 1073280043 /nfs/dbraw/zinc/28/00/43/1073280043.db2.gz DHROODQNXHARFW-BKUYFWCQSA-N 0 0 532.043 5.694 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409267425 1073289472 /nfs/dbraw/zinc/28/94/72/1073289472.db2.gz VNULWKPIWNCIEW-SSDVNMTOSA-N 0 0 666.731 7.271 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409267338 1073290364 /nfs/dbraw/zinc/29/03/64/1073290364.db2.gz TWOCXLFEMGFNOV-FSJBWODESA-N 0 0 664.861 6.360 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409276152 1073291372 /nfs/dbraw/zinc/29/13/72/1073291372.db2.gz OGCDVAIQPMNCMS-CYGYJLBOSA-N 0 0 626.710 5.219 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409276282 1073291445 /nfs/dbraw/zinc/29/14/45/1073291445.db2.gz ZZVSEXQPRJIGDF-MTJSOVHGSA-N 0 0 516.453 6.655 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409275922 1073296215 /nfs/dbraw/zinc/29/62/15/1073296215.db2.gz MZQKDINBBNJERB-CFRMEGHHSA-N 0 0 522.510 5.241 40 5 KKBBRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409275777 1073298026 /nfs/dbraw/zinc/29/80/26/1073298026.db2.gz WTIGXHIHDZBVEU-QRVIBDJDSA-N 0 0 569.458 6.736 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409275455 1073299120 /nfs/dbraw/zinc/29/91/20/1073299120.db2.gz UYNWKRVAFSISPA-XKZIYDEJSA-N 0 0 507.480 5.935 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409275313 1073300593 /nfs/dbraw/zinc/30/05/93/1073300593.db2.gz ZYBNWIXMHTVGKG-BHGWPJFGSA-N 0 0 584.006 5.519 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccccc1 ZINC000409274960 1073304703 /nfs/dbraw/zinc/30/47/03/1073304703.db2.gz HACFMXPZGQMYTJ-ZEZCTPEWSA-N 0 0 608.720 5.080 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409274339 1073310746 /nfs/dbraw/zinc/31/07/46/1073310746.db2.gz WATWMCVTEVHSCZ-MTJSOVHGSA-N 0 0 504.524 5.074 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409274268 1073311562 /nfs/dbraw/zinc/31/15/62/1073311562.db2.gz CKRTZGUSQRSMGG-JVWAILMASA-N 0 0 573.627 5.194 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409274290 1073311965 /nfs/dbraw/zinc/31/19/65/1073311965.db2.gz ONRQGKCEABQOCJ-CAOOACKPSA-N 0 0 537.859 5.601 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274073 1073314586 /nfs/dbraw/zinc/31/45/86/1073314586.db2.gz UTPKLTCHRBLDEJ-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409274029 1073315815 /nfs/dbraw/zinc/31/58/15/1073315815.db2.gz TZZVXOKHSOQRPJ-MSXFZWOLSA-N 0 0 581.990 5.194 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273699 1073317879 /nfs/dbraw/zinc/31/78/79/1073317879.db2.gz LIEOFLMTBHHUPS-WYMPLXKRSA-N 0 0 578.559 5.596 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1F ZINC000409273619 1073318439 /nfs/dbraw/zinc/31/84/39/1073318439.db2.gz KJHSZNNPNIWDQH-DJKKODMXSA-N 0 0 519.869 5.461 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273393 1073320110 /nfs/dbraw/zinc/32/01/10/1073320110.db2.gz QMWDCNNGJPTEGI-RYOBIWAXSA-N 0 0 599.738 5.080 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409272797 1073335826 /nfs/dbraw/zinc/33/58/26/1073335826.db2.gz HGVFQKOCVGILAZ-OYKKKHCWSA-N 0 0 533.631 6.346 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1C ZINC000409272888 1073336585 /nfs/dbraw/zinc/33/65/85/1073336585.db2.gz HWKVPJIILMMIGH-WGARJPEWSA-N 0 0 540.601 5.890 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c2ccccc2)cc1 ZINC000006245618 193876785 /nfs/dbraw/zinc/87/67/85/193876785.db2.gz DKDYXHILZHUXCU-UHFFFAOYSA-N 0 0 614.709 5.610 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 ZINC000006280768 193879975 /nfs/dbraw/zinc/87/99/75/193879975.db2.gz DMXJFISUCBZPEX-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368208 193904418 /nfs/dbraw/zinc/90/44/18/193904418.db2.gz SAESGPXFEYNQMW-ONUIUJJFSA-N 0 0 590.683 5.566 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000100370103 193905898 /nfs/dbraw/zinc/90/58/98/193905898.db2.gz GOLRVRJPHWBFCD-CFRMEGHHSA-N 0 0 612.085 6.560 40 5 KKBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc2c(Br)cccc12 ZINC000100380051 193910188 /nfs/dbraw/zinc/91/01/88/193910188.db2.gz CJOFDKGDHWMTKJ-UHFFFAOYSA-N 0 0 533.835 5.001 40 5 KKBBRN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000100390711 193912751 /nfs/dbraw/zinc/91/27/51/193912751.db2.gz LFIIYFNPEOPSCZ-FGZHOGPDSA-N 0 0 534.952 6.077 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224513437 193955928 /nfs/dbraw/zinc/95/59/28/193955928.db2.gz FPTRKUTUUSPBMI-BJKOFHAPSA-N 0 0 551.422 6.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408852965 195494521 /nfs/dbraw/zinc/49/45/21/195494521.db2.gz ORXXNKGHWDRONA-SJXDCSIJSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1ccc([N+](=O)[O-])cc1 ZINC000000855610 551550311 /nfs/dbraw/zinc/55/03/11/551550311.db2.gz OOKXMRDMKDUAEA-UHFFFAOYSA-N 0 0 507.362 5.243 40 5 KKBBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000001417356 551666763 /nfs/dbraw/zinc/66/67/63/551666763.db2.gz KXUSHXSKBYIWNS-RQZCQDPDSA-N 0 0 511.339 5.080 40 5 KKBBRN Oc1ccccc1-c1nnc2sc3c(Cl)c4nn5c(nnc5-c5ccccc5O)sc4c(Cl)c3nn21 ZINC000001572436 551684933 /nfs/dbraw/zinc/68/49/33/551684933.db2.gz NWIVVXCOKNYZAB-UHFFFAOYSA-N 0 0 553.416 5.606 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000001778630 551697928 /nfs/dbraw/zinc/69/79/28/551697928.db2.gz XPVKFGFAWTVPEG-SDHOMARFSA-N 0 0 534.355 6.106 40 5 KKBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000001783227 551698736 /nfs/dbraw/zinc/69/87/36/551698736.db2.gz MONNIYRPRXYKTK-ZDUSSCGKSA-N 0 0 519.373 5.669 40 5 KKBBRN Nc1c(Br)cc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1Br ZINC000001844879 551714607 /nfs/dbraw/zinc/71/46/07/551714607.db2.gz NWHDTMKHBQGOQY-UHFFFAOYSA-N 0 0 584.604 6.187 40 5 KKBBRN O=C1OC(c2ccc(I)cc2)=N/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000003011739 552258915 /nfs/dbraw/zinc/25/89/15/552258915.db2.gz DTPLHARESSNZNN-WOJGMQOQSA-N 0 0 557.256 5.244 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000003044909 552275630 /nfs/dbraw/zinc/27/56/30/552275630.db2.gz RLJZUEOFNCFDQZ-UHFFFAOYSA-N 0 0 597.359 5.020 40 5 KKBBRN O=C(COc1ccc(Br)cc1)/N=c1/oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2 ZINC000003165946 552297938 /nfs/dbraw/zinc/29/79/38/552297938.db2.gz LKYUPHXXNKBQPU-SJCQXOIGSA-N 0 0 543.421 5.840 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003181399 552300615 /nfs/dbraw/zinc/30/06/15/552300615.db2.gz GIOWBTFPAZNCPA-CSKPTYFESA-N 0 0 554.194 5.005 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000003669540 552410697 /nfs/dbraw/zinc/41/06/97/552410697.db2.gz GPPGSMPOUYAXEO-UHFFFAOYSA-N 0 0 530.425 6.520 40 5 KKBBRN COc1ccc2c(c1)c(=O)c1ccc(Cl)cc1n2CCOCCOCCn1c2ccc(OC)cc2c(=O)c2ccc(Cl)cc21 ZINC000004235192 552451234 /nfs/dbraw/zinc/45/12/34/552451234.db2.gz JIZHYCVYEYCNBT-UHFFFAOYSA-N 0 0 633.528 6.680 40 5 KKBBRN CCCCCN(C(=O)c1cccc([N+](=O)[O-])c1C(=O)N(CCCCC)c1ccccc1)c1ccccc1 ZINC000004727085 552472991 /nfs/dbraw/zinc/47/29/91/552472991.db2.gz ICVSZSKMEFJJNL-UHFFFAOYSA-N 0 0 501.627 7.269 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000005949397 552516351 /nfs/dbraw/zinc/51/63/51/552516351.db2.gz IXTUQKKIPMRVFV-UHFFFAOYSA-N 0 0 508.581 5.411 40 5 KKBBRN O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000006002869 552518116 /nfs/dbraw/zinc/51/81/16/552518116.db2.gz HXXUZVOFQNFAND-PCLIKHOPSA-N 0 0 582.960 5.670 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000006157271 552553433 /nfs/dbraw/zinc/55/34/33/552553433.db2.gz PHKMRDPODROTGL-UHFFFAOYSA-N 0 0 524.990 5.180 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(Br)c1 ZINC000006195170 552566879 /nfs/dbraw/zinc/56/68/79/552566879.db2.gz PZLVSJGVQVVOOK-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 ZINC000006280785 552576669 /nfs/dbraw/zinc/57/66/69/552576669.db2.gz FQEOTMDQTRXUMD-QGZVFWFLSA-N 0 0 523.018 5.869 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280868 552576990 /nfs/dbraw/zinc/57/69/90/552576990.db2.gz ZFBDCNHRCJBTRM-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474725 552592797 /nfs/dbraw/zinc/59/27/97/552592797.db2.gz NGNFTPXDVYMJJK-UHFFFAOYSA-N 0 0 510.373 5.336 40 5 KKBBRN COC(=O)c1cc(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(=O)OC)c2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000006879019 552976161 /nfs/dbraw/zinc/97/61/61/552976161.db2.gz SOAMSAZKAIVWBH-UHFFFAOYSA-N 0 0 612.551 5.172 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000008739522 553131413 /nfs/dbraw/zinc/13/14/13/553131413.db2.gz VAMMHMBTLSBKCE-CGPQZCEESA-N 0 0 507.652 8.152 40 5 KKBBRN COc1ccc2c3nccc4c5cc(OCc6ccc(Cl)cc6Cl)ccc5n(c43)c(=O)c2c1OC ZINC000008792439 553147727 /nfs/dbraw/zinc/14/77/27/553147727.db2.gz KRAYTYIRZHXOSR-UHFFFAOYSA-N 0 0 505.357 6.495 40 5 biogenic KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833013 553159298 /nfs/dbraw/zinc/15/92/98/553159298.db2.gz VNUBGURWCRCGCE-UHFFFAOYSA-N 0 0 501.568 5.520 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008894903 553177666 /nfs/dbraw/zinc/17/76/66/553177666.db2.gz QHEUWCCZXYGNFI-UHFFFAOYSA-N 0 0 508.991 5.452 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008900146 553181087 /nfs/dbraw/zinc/18/10/87/553181087.db2.gz KQZUQBRVJCLPOF-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1OC ZINC000008903877 553183243 /nfs/dbraw/zinc/18/32/43/553183243.db2.gz GWOQUHSGUMUQMB-UHFFFAOYSA-N 0 0 509.927 6.541 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1OC ZINC000008903910 553183293 /nfs/dbraw/zinc/18/32/93/553183293.db2.gz SGPOQAGPMPGRJQ-GXDHUFHOSA-N 0 0 511.490 6.332 40 5 KKBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1Br ZINC000009010473 553199730 /nfs/dbraw/zinc/19/97/30/553199730.db2.gz VJXCBHGVEAQHPA-UHFFFAOYSA-N 0 0 512.363 7.874 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062442 553205025 /nfs/dbraw/zinc/20/50/25/553205025.db2.gz NVTVNCCNRKIKQT-UHFFFAOYSA-N 0 0 509.931 5.280 40 5 KKBBRN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062492 553205036 /nfs/dbraw/zinc/20/50/36/553205036.db2.gz OMOMEGXGLGYFJV-UHFFFAOYSA-N 0 0 509.547 5.700 40 5 KKBBRN O=C(Cc1cccc2ccccc21)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062470 553205041 /nfs/dbraw/zinc/20/50/41/553205041.db2.gz LXXQEBVLHKDSEO-UHFFFAOYSA-N 0 0 509.547 5.700 40 5 KKBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12 ZINC000010010277 553325499 /nfs/dbraw/zinc/32/54/99/553325499.db2.gz FUXUDABQNOHDEW-UHFFFAOYSA-N 0 0 514.976 5.452 40 5 KKBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c3)nn12 ZINC000010010315 553325642 /nfs/dbraw/zinc/32/56/42/553325642.db2.gz LAHATAOLOUZYOG-UHFFFAOYSA-N 0 0 504.528 5.153 40 5 KKBBRN Cc1c(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000010338836 553334998 /nfs/dbraw/zinc/33/49/98/553334998.db2.gz UQWJDFIVVOZCIX-UHFFFAOYSA-N 0 0 508.383 5.429 40 5 KKBBRN O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011990746 553349897 /nfs/dbraw/zinc/34/98/97/553349897.db2.gz QOGOWCLXSZOUGF-SIYJYVLVSA-N 0 0 501.029 6.229 40 5 KKBBRN O=C(Nc1cccc(Cl)c1C(=O)c1ccccc1)C(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000012375946 553361208 /nfs/dbraw/zinc/36/12/08/553361208.db2.gz SSIREDAYZBNPMS-UHFFFAOYSA-N 0 0 517.394 5.100 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C ZINC000013425490 553459520 /nfs/dbraw/zinc/45/95/20/553459520.db2.gz MEYZMJORQRYCIV-KRWDZBQOSA-N 0 0 516.583 5.070 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000014275048 553507953 /nfs/dbraw/zinc/50/79/53/553507953.db2.gz QFIKDOBDUZGIPF-UHFFFAOYSA-N 0 0 506.540 5.251 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)oc2c1 ZINC000014275138 553508087 /nfs/dbraw/zinc/50/80/87/553508087.db2.gz MWMUPYMVEYHCJJ-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN COc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc2ccccc2c1Br ZINC000014277361 553510123 /nfs/dbraw/zinc/51/01/23/553510123.db2.gz MEGSDODQKDJZTE-UHFFFAOYSA-N 0 0 504.768 5.135 40 5 KKBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 ZINC000014279419 553511514 /nfs/dbraw/zinc/51/15/14/553511514.db2.gz XHBCELYQPYRWRP-UHFFFAOYSA-N 0 0 510.550 5.378 40 5 KKBBRN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2 ZINC000015015547 553525764 /nfs/dbraw/zinc/52/57/64/553525764.db2.gz LAXHIHZYLSOMFM-XMMPIXPASA-N 0 0 503.584 6.801 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000015303461 553530705 /nfs/dbraw/zinc/53/07/05/553530705.db2.gz CMJBHWVJOUTOBY-UHFFFAOYSA-N 0 0 505.424 5.634 40 5 KKBBRN O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384657 553561891 /nfs/dbraw/zinc/56/18/91/553561891.db2.gz OQIWTAAVUJTLCH-UHFFFAOYSA-N 0 0 514.287 6.143 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016429428 553563280 /nfs/dbraw/zinc/56/32/80/553563280.db2.gz PVGUWCLIOYONSS-JXMROGBWSA-N 0 0 505.880 5.889 40 5 KKBBRN O=C(c1cccc2c(Br)cccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016431524 553563331 /nfs/dbraw/zinc/56/33/31/553563331.db2.gz WPADDGDQXQXPCM-UHFFFAOYSA-N 0 0 508.294 5.492 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610932 553569397 /nfs/dbraw/zinc/56/93/97/553569397.db2.gz MWYBFSRKWYVFCR-RTGRKSDTSA-N 0 0 500.580 6.443 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611047 553569479 /nfs/dbraw/zinc/56/94/79/553569479.db2.gz OOEAHNJGIFUTEI-AWEZNQCLSA-N 0 0 519.539 5.952 40 5 KKBBRN CCOc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000016691786 553573596 /nfs/dbraw/zinc/57/35/96/553573596.db2.gz CZGNEDWXZQWIPE-WGDLNXRISA-N 0 0 509.522 6.776 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1 ZINC000017197664 553590152 /nfs/dbraw/zinc/59/01/52/553590152.db2.gz YYZPXBXVBQSBDG-SOSXVSKCSA-N 0 0 510.160 8.457 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020153081 553597147 /nfs/dbraw/zinc/59/71/47/553597147.db2.gz BKGBPYMFVLVTJK-UHFFFAOYSA-N 0 0 514.991 5.118 40 5 KKBBRN COc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc(OC)c1 ZINC000070708135 553632267 /nfs/dbraw/zinc/63/22/67/553632267.db2.gz QMMLJPVZKHJOBC-MRXNPFEDSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 ZINC000073293933 553652979 /nfs/dbraw/zinc/65/29/79/553652979.db2.gz OUPPURRNWKTNLT-UHFFFAOYSA-N 0 0 552.675 6.849 40 5 KKBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 ZINC000073354648 553653616 /nfs/dbraw/zinc/65/36/16/553653616.db2.gz AKZYHZVLRBBJSL-UHFFFAOYSA-N 0 0 531.500 5.154 40 5 KKBBRN Cc1ccc([C@@H](NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020039131 553668383 /nfs/dbraw/zinc/66/83/83/553668383.db2.gz NGWRCGREYIILOT-NDEPHWFRSA-N 0 0 515.591 5.004 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000020528419 553669175 /nfs/dbraw/zinc/66/91/75/553669175.db2.gz QKGQQZOCFQFMQF-UHFFFAOYSA-N 0 0 510.978 5.455 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000020528743 553669482 /nfs/dbraw/zinc/66/94/82/553669482.db2.gz AZQALDSYNMOSOS-UHFFFAOYSA-N 0 0 528.053 5.186 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000020528982 553669685 /nfs/dbraw/zinc/66/96/85/553669685.db2.gz UHFDAWHDRDRVJL-UHFFFAOYSA-N 0 0 510.978 5.455 40 5 KKBBRN NC(=NP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000094303204 553696126 /nfs/dbraw/zinc/69/61/26/553696126.db2.gz GJQNYHXDWRTOCW-YTTGMZPUSA-N 0 0 748.686 6.277 40 5 in-vitro KKBBRN COc1cccc2c1nc1ccccc1c2SCC(=O)Nc1ccccc1-c1ccccc1NC(=O)CSc1c2ccccc2nc2c(OC)cccc21 ZINC000095551819 553704294 /nfs/dbraw/zinc/70/42/94/553704294.db2.gz ULLCQWOVPRVLAE-UHFFFAOYSA-N 0 0 746.914 10.235 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000021576660 553712733 /nfs/dbraw/zinc/71/27/33/553712733.db2.gz ACMRSVBBKHBGRV-UHFFFAOYSA-N 0 0 526.977 5.218 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021576172 553712768 /nfs/dbraw/zinc/71/27/68/553712768.db2.gz RVLYXFGAXBZZJN-UHFFFAOYSA-N 0 0 504.930 5.209 40 5 KKBBRN c1ccc(-c2ccc3c(c2)c(-c2ccc4ccccc4c2)c2ccccc2c3-c2ccc3ccccc3c2)cc1 ZINC000095829824 553713669 /nfs/dbraw/zinc/71/36/69/553713669.db2.gz RFVBBELSDAVRHM-UHFFFAOYSA-N 0 0 506.648 11.300 40 5 KKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000021595391 553714717 /nfs/dbraw/zinc/71/47/17/553714717.db2.gz YYRZMBKLDDGIIZ-UHFFFAOYSA-N 0 0 512.614 6.249 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000096022778 553722543 /nfs/dbraw/zinc/72/25/43/553722543.db2.gz WMXYERPACINAMK-QDIZUQQVSA-N 0 0 518.476 6.218 40 5 KKBBRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429829 553739960 /nfs/dbraw/zinc/73/99/60/553739960.db2.gz JQBIASMQWTWUCW-NDEPHWFRSA-N 0 0 515.591 5.004 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000022828896 553754053 /nfs/dbraw/zinc/75/40/53/553754053.db2.gz PYDGXUXDLHCKOT-NTUHNPAUSA-N 0 0 504.974 5.171 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022833448 553756007 /nfs/dbraw/zinc/75/60/07/553756007.db2.gz UDQIUAPMDINNRM-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000096836819 553757524 /nfs/dbraw/zinc/75/75/24/553757524.db2.gz OAFSUZWLLTTXGQ-PLQXJYEYSA-N 0 0 500.507 5.424 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000022845103 553760096 /nfs/dbraw/zinc/76/00/96/553760096.db2.gz IPBVRSCCNWXJRG-UHFFFAOYSA-N 0 0 520.611 5.670 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@H](c5ccccc5)C[C@H]6C(F)F)nc34)c21 ZINC000097945897 553775211 /nfs/dbraw/zinc/77/52/11/553775211.db2.gz INDMANXMLOJNSL-HOCLYGCPSA-N 0 0 538.534 6.360 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@H](c5ccc(Cl)cc5)N6)nc34)c21 ZINC000097948658 553795509 /nfs/dbraw/zinc/79/55/09/553795509.db2.gz TYEULRFKICCMPX-CZUORRHYSA-N 0 0 590.969 7.310 40 5 KKBBRN O=C(OCc1ccccc1)Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc43)CC2)c1 ZINC000026522690 553818942 /nfs/dbraw/zinc/81/89/42/553818942.db2.gz CWDWALMMJFUODZ-UHFFFAOYSA-N 0 0 517.585 6.066 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000097954697 553825010 /nfs/dbraw/zinc/82/50/10/553825010.db2.gz WHORAWYKUZATPJ-KCHLEUMXSA-N 0 0 549.539 5.174 40 5 KKBBRN [O-][N+]1(CCCCn2nc(-c3ccccc3)c3cc(Br)ccc32)CCN(c2ccccc2)CC1 ZINC000028048318 553837479 /nfs/dbraw/zinc/83/74/79/553837479.db2.gz TYQSKYJBQQWIGH-UHFFFAOYSA-N 0 0 505.460 6.081 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000029493023 553846002 /nfs/dbraw/zinc/84/60/02/553846002.db2.gz MBJLGIWZZGKDOX-MTJSOVHGSA-N 0 0 500.960 6.775 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] ZINC000032115064 553864391 /nfs/dbraw/zinc/86/43/91/553864391.db2.gz YPRKDRPDCUMVSA-UHFFFAOYSA-N 0 0 504.524 5.037 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124791 553865906 /nfs/dbraw/zinc/86/59/06/553865906.db2.gz WIEYFYODCOSRQD-UCQKPKSFSA-N 0 0 519.604 6.038 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124994 553865920 /nfs/dbraw/zinc/86/59/20/553865920.db2.gz VXLLKULHMVXOAJ-HMAPJEAMSA-N 0 0 505.577 5.729 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000033499439 553961451 /nfs/dbraw/zinc/96/14/51/553961451.db2.gz NVDSHFFURIPLHT-UHFFFAOYSA-N 0 0 529.666 5.089 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl ZINC000033572136 553962914 /nfs/dbraw/zinc/96/29/14/553962914.db2.gz UPICDRZKIFGZEA-UHFFFAOYSA-N 0 0 503.902 5.811 40 5 KKBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033749913 553972090 /nfs/dbraw/zinc/97/20/90/553972090.db2.gz GRJFAINEHRGPED-IRJLPVGZSA-N 0 0 514.619 5.023 40 5 KKBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097982715 554005188 /nfs/dbraw/zinc/00/51/88/554005188.db2.gz OOCCWTBJFYDRNB-BKIZBIRHSA-N 0 0 629.736 8.210 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097983327 554008814 /nfs/dbraw/zinc/00/88/14/554008814.db2.gz OVEBLQBUPDIOPA-MRAXCHOJSA-N 0 0 560.050 7.482 40 5 KKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147465 554036131 /nfs/dbraw/zinc/03/61/31/554036131.db2.gz JSTGVWFTENLIFM-SANMLTNESA-N 0 0 512.522 5.310 40 5 KKBBRN CC(C)(C)c1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 ZINC000098049037 554162720 /nfs/dbraw/zinc/16/27/20/554162720.db2.gz YYHBOEMXENIDJX-UHFFFAOYSA-N 0 0 529.434 6.473 40 5 KKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000036092254 554177569 /nfs/dbraw/zinc/17/75/69/554177569.db2.gz SLXHHNJUAYBDEO-YPYXRPNSSA-N 0 0 516.937 5.931 40 5 KKBBRN CO[C@@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000100006889 554178539 /nfs/dbraw/zinc/17/85/39/554178539.db2.gz BMGQWWVMWDBQGC-PSAZJTTOSA-N 0 0 570.649 5.907 40 5 in-vitro KKBBRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] ZINC000100048493 554194141 /nfs/dbraw/zinc/19/41/41/554194141.db2.gz YTIMERIOCXABID-UHFFFAOYSA-N 0 0 582.616 5.388 40 5 KKBBRN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100159373 554234095 /nfs/dbraw/zinc/23/40/95/554234095.db2.gz OQIAABJEBZXJBM-UHFFFAOYSA-N 0 0 540.963 7.188 40 5 KKBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000100187160 554243067 /nfs/dbraw/zinc/24/30/67/554243067.db2.gz ALEUGCUNZUDMMI-KYVQNOJUSA-N 0 0 527.374 5.781 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100299628 554290293 /nfs/dbraw/zinc/29/02/93/554290293.db2.gz ALXWNJBZWFPZOX-UHFFFAOYSA-N 0 0 537.384 6.990 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100305679 554293622 /nfs/dbraw/zinc/29/36/22/554293622.db2.gz RUMFIVMPDYBLEL-QARYAGPDSA-N 0 0 578.046 5.353 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100308016 554296309 /nfs/dbraw/zinc/29/63/09/554296309.db2.gz UUMGVPAVMBFNCK-MIUGUJGPSA-N 0 0 613.095 5.363 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br ZINC000100316153 554302998 /nfs/dbraw/zinc/30/29/98/554302998.db2.gz FAWHREFRTHCMEL-UHFFFAOYSA-N 0 0 527.356 5.301 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000100316625 554303007 /nfs/dbraw/zinc/30/30/07/554303007.db2.gz ZSBWFVANSWJGLF-RCLKMUNOSA-N 0 0 535.025 7.096 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000100317578 554303363 /nfs/dbraw/zinc/30/33/63/554303363.db2.gz LPQFIQLSMOGDID-KRWDZBQOSA-N 0 0 540.601 7.303 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000100321535 554305829 /nfs/dbraw/zinc/30/58/29/554305829.db2.gz LULBUPQPVBDAEV-OCKHKDLRSA-N 0 0 533.751 6.487 40 5 KKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1Br ZINC000100321726 554305999 /nfs/dbraw/zinc/30/59/99/554305999.db2.gz CAHMGBMRTUUJEI-VMPITWQZSA-N 0 0 519.402 5.016 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100340118 554324917 /nfs/dbraw/zinc/32/49/17/554324917.db2.gz TYVFDUDRYRMWBX-LSHDLFTRSA-N 0 0 594.270 7.480 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000049762896 554325417 /nfs/dbraw/zinc/32/54/17/554325417.db2.gz SSIWVYBQEYMNGF-UWFUZCTESA-N 0 0 692.724 6.810 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000052245195 554329315 /nfs/dbraw/zinc/32/93/15/554329315.db2.gz KBPHJBAIARWVSC-AMUMXYJRSA-N 0 0 568.886 10.403 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4 ZINC000100344651 554329725 /nfs/dbraw/zinc/32/97/25/554329725.db2.gz ZVVNQEYLUMQHCE-ZDUSSCGKSA-N 0 0 526.644 5.138 40 5 KKBBRN CC(C)(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100353106 554331480 /nfs/dbraw/zinc/33/14/80/554331480.db2.gz QWZFXIZLEVLFSI-UHFFFAOYSA-N 0 0 616.495 6.084 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000100358960 554339678 /nfs/dbraw/zinc/33/96/78/554339678.db2.gz IXHRNBSDDJXKOK-UHFFFAOYSA-N 0 0 564.133 6.022 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] ZINC000100360539 554343186 /nfs/dbraw/zinc/34/31/86/554343186.db2.gz CQFNFFQEMLUJPQ-UHFFFAOYSA-N 0 0 578.160 6.331 40 5 KKBBRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] ZINC000100364269 554349487 /nfs/dbraw/zinc/34/94/87/554349487.db2.gz WLRQBEKDZSNCRG-UHFFFAOYSA-N 0 0 594.159 6.031 40 5 KKBBRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)oc2c(C)c1 ZINC000057313848 554354287 /nfs/dbraw/zinc/35/42/87/554354287.db2.gz JZHGMNKIIHWRIY-UHFFFAOYSA-N 0 0 512.374 7.794 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1 ZINC000057317157 554355934 /nfs/dbraw/zinc/35/59/34/554355934.db2.gz VIROXJDLETYULJ-UHFFFAOYSA-N 0 0 501.008 5.410 40 5 KKBBRN O=C(c1sc2c(cccc2[N+](=O)[O-])c1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317336 554356135 /nfs/dbraw/zinc/35/61/35/554356135.db2.gz FPLHBPOWTZUBLT-UHFFFAOYSA-N 0 0 508.280 5.635 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000100396156 554369936 /nfs/dbraw/zinc/36/99/36/554369936.db2.gz JIYDYMUJLWNIJV-FKZSXXMWSA-N 0 0 575.577 5.385 40 5 KKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000059294081 554387508 /nfs/dbraw/zinc/38/75/08/554387508.db2.gz NSNDSBNCNLSIBM-UHFFFAOYSA-N 0 0 504.974 6.853 40 5 KKBBRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331429 554388608 /nfs/dbraw/zinc/38/86/08/554388608.db2.gz FKJKKEUUIJLMSU-UHFFFAOYSA-N 0 0 517.567 5.226 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331431 554388679 /nfs/dbraw/zinc/38/86/79/554388679.db2.gz YCORTBRESLNLHW-UHFFFAOYSA-N 0 0 517.567 5.226 40 5 KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)oc2c1 ZINC000059331541 554389262 /nfs/dbraw/zinc/38/92/62/554389262.db2.gz CMHGSAXRXFWNST-UHFFFAOYSA-N 0 0 517.567 5.144 40 5 KKBBRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000059331575 554389352 /nfs/dbraw/zinc/38/93/52/554389352.db2.gz KUXZRNAFUUXQRL-UHFFFAOYSA-N 0 0 517.567 5.139 40 5 KKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-] ZINC000059331784 554391432 /nfs/dbraw/zinc/39/14/32/554391432.db2.gz VZNNXDJBJASFMW-UHFFFAOYSA-N 0 0 524.046 5.006 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000059331876 554391993 /nfs/dbraw/zinc/39/19/93/554391993.db2.gz LNAFDWUPHLKKAO-XYOKQWHBSA-N 0 0 519.005 6.097 40 5 KKBBRN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000059428124 554395574 /nfs/dbraw/zinc/39/55/74/554395574.db2.gz WTWVYVFOLLWYAZ-UHFFFAOYSA-N 0 0 505.067 7.878 40 5 KKBBRN O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nc2ccccc2s1 ZINC000059488700 554398362 /nfs/dbraw/zinc/39/83/62/554398362.db2.gz VBHOFEQMJSFSBG-DEOSSOPVSA-N 0 0 511.592 6.154 40 5 KKBBRN O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1cccc2cccnc21 ZINC000059488702 554398500 /nfs/dbraw/zinc/39/85/00/554398500.db2.gz ABZCCGRAGBAQSL-MHZLTWQESA-N 0 0 505.563 6.093 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000100656020 554437700 /nfs/dbraw/zinc/43/77/00/554437700.db2.gz LMAQIYCMSJFVFQ-VJBGASIXSA-N 0 0 543.579 5.037 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000059858457 554455867 /nfs/dbraw/zinc/45/58/67/554455867.db2.gz VLGYDGNAAKAICQ-UHFFFAOYSA-N 0 0 616.677 5.383 40 5 KKBBRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060060524 554499467 /nfs/dbraw/zinc/49/94/67/554499467.db2.gz ISIGBPVUQAITAT-GOSISDBHSA-N 0 0 562.044 5.037 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000100928862 554525551 /nfs/dbraw/zinc/52/55/51/554525551.db2.gz OJVINKMRAQFBTE-UHFFFAOYSA-N 0 0 551.389 6.588 40 5 KKBBRN O=[N+]([O-])c1ccc(/C(Cl)=C\c2ccc(/C=C(\Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000068563497 554539089 /nfs/dbraw/zinc/53/90/89/554539089.db2.gz QMZVNISRQXPNKX-KFSYKRRRSA-N 0 0 531.264 6.793 40 5 KKBBRN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccc(Br)cc1-2 ZINC000101003570 554553357 /nfs/dbraw/zinc/55/33/57/554553357.db2.gz JKKUHDJMUNPPNP-FQEVSTJZSA-N 0 0 526.372 6.003 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000101141839 554653632 /nfs/dbraw/zinc/65/36/32/554653632.db2.gz FAGMVYHWMWPWRE-UHFFFAOYSA-N 0 0 568.523 5.411 40 5 KKBBRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101201075 554672761 /nfs/dbraw/zinc/67/27/61/554672761.db2.gz AOALKDZKDYFDQM-VABKMULXSA-N 0 0 512.349 5.515 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000101215553 554681494 /nfs/dbraw/zinc/68/14/94/554681494.db2.gz MWCWNMCBTGYKES-UHFFFAOYSA-N 0 0 538.995 5.612 40 5 KKBBRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000101215869 554682013 /nfs/dbraw/zinc/68/20/13/554682013.db2.gz CNSLOUQENBFICY-UHFFFAOYSA-N 0 0 548.603 5.357 40 5 KKBBRN CCOc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000101217456 554684822 /nfs/dbraw/zinc/68/48/22/554684822.db2.gz YAXQSZGROMJYRA-ZLNRFVROSA-N 0 0 528.348 5.351 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc1)C2=O ZINC000101438500 554772327 /nfs/dbraw/zinc/77/23/27/554772327.db2.gz 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CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 ZINC000102449209 554931080 /nfs/dbraw/zinc/93/10/80/554931080.db2.gz XSUMLPOZXOCJPB-IARZGTGTSA-N 0 0 555.612 6.163 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000102581354 554972553 /nfs/dbraw/zinc/97/25/53/554972553.db2.gz LJQSMZNYPPSNCS-UHFFFAOYSA-N 0 0 545.433 6.287 40 5 KKBBRN COc1ccc(C(=O)Nc2sc(-c3cc4c(nc5ccc(C)cn5c4=O)n(Cc4cccnc4)c3=N)nc2-c2ccccc2)cc1 ZINC000102625986 554987925 /nfs/dbraw/zinc/98/79/25/554987925.db2.gz UHEUXIBPSBTYKK-UHFFFAOYSA-N 0 0 625.714 5.932 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(C(=O)Oc2ccccc2)c2ccc(OC(=O)Oc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000102628744 554988513 /nfs/dbraw/zinc/98/85/13/554988513.db2.gz ZKHSKXOQLCGBSZ-UHFFFAOYSA-N 0 0 548.529 5.875 40 5 KKBBRN CCOC(=O)c1c2cc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000102628719 554988558 /nfs/dbraw/zinc/98/85/58/554988558.db2.gz PVSKRJWFWWZVNS-UHFFFAOYSA-N 0 0 588.569 6.360 40 5 KKBBRN CCOC(=O)c1c2cc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2oc1-c1ccccc1 ZINC000102628670 554988561 /nfs/dbraw/zinc/98/85/61/554988561.db2.gz GXHCROBQFOMODL-UHFFFAOYSA-N 0 0 584.606 6.529 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000102628817 554988706 /nfs/dbraw/zinc/98/87/06/554988706.db2.gz DAPOXSPVGSUYSZ-UHFFFAOYSA-N 0 0 565.003 6.120 40 5 KKBBRN CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000102629006 554988717 /nfs/dbraw/zinc/98/87/17/554988717.db2.gz DRYMYLTYDBEWTB-UHFFFAOYSA-N 0 0 556.980 5.824 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000102747796 555041562 /nfs/dbraw/zinc/04/15/62/555041562.db2.gz HYBUQLUCDVUQJM-SDHSZQHLSA-N 0 0 515.909 5.559 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102754668 555046650 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000111470267 571433065 /nfs/dbraw/zinc/43/30/65/571433065.db2.gz ARYRYHJCGVNIHJ-LLXISZFLSA-N 0 0 619.699 6.227 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000111470803 571433277 /nfs/dbraw/zinc/43/32/77/571433277.db2.gz SNLGYPRJUPWWPV-ZHGFHMGHSA-N 0 0 623.712 5.826 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 ZINC000112229278 571433950 /nfs/dbraw/zinc/43/39/50/571433950.db2.gz SYEHEKKKGNVHEM-UHFFFAOYSA-N 0 0 545.665 5.872 40 5 KKBBRN COc1c(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc2ccccc2c1Br ZINC000112233438 571434447 /nfs/dbraw/zinc/43/44/47/571434447.db2.gz XXAXNCHHPFNMBF-UHFFFAOYSA-N 0 0 517.386 5.256 40 5 KKBBRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000112233574 571434560 /nfs/dbraw/zinc/43/45/60/571434560.db2.gz WDONORLXOWVDNI-RMKNXTFCSA-N 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Cc1ccc(-c2csc(NC(=O)CSc3nnc(COc4ccccc4Cl)n3C)n2)cc1[N+](=O)[O-] ZINC000138592682 571451499 /nfs/dbraw/zinc/45/14/99/571451499.db2.gz YLCLABMZUVUINQ-UHFFFAOYSA-N 0 0 531.019 5.118 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000138695908 571451815 /nfs/dbraw/zinc/45/18/15/571451815.db2.gz XESDOFSZMQRBCQ-UHFFFAOYSA-N 0 0 536.338 5.377 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223279238 571454121 /nfs/dbraw/zinc/45/41/21/571454121.db2.gz NTIDLKOJSXRDOM-PMERELPUSA-N 0 0 635.142 5.220 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223293867 571456360 /nfs/dbraw/zinc/45/63/60/571456360.db2.gz LUDROBZJXRZOPJ-AREMUKBSSA-N 0 0 659.205 5.791 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCNc5ccc([N+](=O)[O-])c6nonc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150338764 571457079 /nfs/dbraw/zinc/45/70/79/571457079.db2.gz YZAQIPGLFHPDPI-FIWRCADXSA-N 0 0 662.916 10.057 40 5 in-vitro KKBBRN CCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150352096 571462366 /nfs/dbraw/zinc/46/23/66/571462366.db2.gz KLAXDZYINVRTAJ-JHQKSRMGSA-N 0 0 656.761 5.960 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223337564 571462424 /nfs/dbraw/zinc/46/24/24/571462424.db2.gz ATFKWGWLDGHKFQ-JGCGQSQUSA-N 0 0 679.195 5.537 40 5 KKBBRN O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000150361485 571463926 /nfs/dbraw/zinc/46/39/26/571463926.db2.gz IJTANGJQVDVKFH-OCQWXUTQSA-N 0 0 689.761 7.450 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150363286 571464273 /nfs/dbraw/zinc/46/42/73/571464273.db2.gz RVQKMMACMOUOJV-GAPLDZIPSA-N 0 0 692.662 5.273 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150363265 571464275 /nfs/dbraw/zinc/46/42/75/571464275.db2.gz OYNDZYVLFLHDJA-ZSWKDXAVSA-N 0 0 656.072 5.486 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223354908 571464929 /nfs/dbraw/zinc/46/49/29/571464929.db2.gz DJKJIRYHYAVUSB-HXUWFJFHSA-N 0 0 700.041 6.401 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150368781 571465475 /nfs/dbraw/zinc/46/54/75/571465475.db2.gz KTUZRTVMOQIDCS-NAIWQIQESA-N 0 0 630.078 5.782 40 5 KKBBRN O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl ZINC000150377886 571466665 /nfs/dbraw/zinc/46/66/65/571466665.db2.gz ZKRPKVLLGLFBDB-JLIMGVALSA-N 0 0 773.591 10.872 40 5 KKBBRN 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571470189 /nfs/dbraw/zinc/47/01/89/571470189.db2.gz GBAQGGXRNHNHMV-JDTLBAMRSA-N 0 0 698.611 5.516 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000150394614 571475624 /nfs/dbraw/zinc/47/56/24/571475624.db2.gz HKVBZAIICHSSOQ-LRUGRNCASA-N 0 0 674.504 6.005 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150394946 571475720 /nfs/dbraw/zinc/47/57/20/571475720.db2.gz LHQWPUSMSNGALL-KMCFWPMWSA-N 0 0 635.698 5.729 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150394892 571475781 /nfs/dbraw/zinc/47/57/81/571475781.db2.gz TXZQOVWBQAYGKA-QZVQSRICSA-N 0 0 633.726 6.536 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395641 571476083 /nfs/dbraw/zinc/47/60/83/571476083.db2.gz KTBXVDJNUBIGHQ-WGJPBTIMSA-N 0 0 651.697 5.429 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150395552 571476092 /nfs/dbraw/zinc/47/60/92/571476092.db2.gz XNJSCFGQXQIWKN-POKSHJSXSA-N 0 0 653.738 5.834 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150396098 571476245 /nfs/dbraw/zinc/47/62/45/571476245.db2.gz JKMIWLWRAPTBFL-DAIZXWHWSA-N 0 0 663.777 6.145 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223439084 571476672 /nfs/dbraw/zinc/47/66/72/571476672.db2.gz RJGHQBKYJNNTJQ-ZORMNXRFSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223439140 571476742 /nfs/dbraw/zinc/47/67/42/571476742.db2.gz RJGHQBKYJNNTJQ-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223457630 571479467 /nfs/dbraw/zinc/47/94/67/571479467.db2.gz QMULVACHXRARNS-AREMUKBSSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223457773 571479487 /nfs/dbraw/zinc/47/94/87/571479487.db2.gz WTGTWANLYBOWGH-AREMUKBSSA-N 0 0 635.570 5.819 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150409860 571482264 /nfs/dbraw/zinc/48/22/64/571482264.db2.gz CKRHYFIIGYTFBW-UHFFFAOYSA-N 0 0 667.457 9.145 40 5 KKBBRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000150410453 571482775 /nfs/dbraw/zinc/48/27/75/571482775.db2.gz ZGPILMNDYJEFKD-UHFFFAOYSA-N 0 0 670.677 6.936 40 5 KKBBRN C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 ZINC000224140367 571484685 /nfs/dbraw/zinc/48/46/85/571484685.db2.gz JFOZYGXJNYIJSE-YFGXVBGTSA-N 0 0 587.149 7.093 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)o1 ZINC000224146542 571485989 /nfs/dbraw/zinc/48/59/89/571485989.db2.gz HHDGKRXRCXNLAO-YDSFOJDISA-N 0 0 618.159 7.571 40 5 KKBBRN C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 ZINC000224150235 571486786 /nfs/dbraw/zinc/48/67/86/571486786.db2.gz MGMKJOBUQKZAJZ-AVRWMQKNSA-N 0 0 588.133 7.563 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000150427887 571491821 /nfs/dbraw/zinc/49/18/21/571491821.db2.gz YNYDXFJTLCCGGC-UHFFFAOYSA-N 0 0 631.430 7.455 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223519761 571492553 /nfs/dbraw/zinc/49/25/53/571492553.db2.gz WQFNLAOULGZBTD-RUZDIDTESA-N 0 0 714.068 6.789 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000150434169 571494695 /nfs/dbraw/zinc/49/46/95/571494695.db2.gz PEZNAKYHCYVTKQ-JMIUGGIZSA-N 0 0 658.246 8.167 40 5 KKBBRN O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000150438103 571496829 /nfs/dbraw/zinc/49/68/29/571496829.db2.gz QRKVTNMEHCBPEM-UHFFFAOYSA-N 0 0 649.361 7.100 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223552117 571499843 /nfs/dbraw/zinc/49/98/43/571499843.db2.gz KMYOPAWMOJXCRX-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223552263 571499923 /nfs/dbraw/zinc/49/99/23/571499923.db2.gz NSJFIZNBIJHXAB-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1 ZINC000150447587 571501485 /nfs/dbraw/zinc/50/14/85/571501485.db2.gz ZUXWJWSEHISENO-MTJSOVHGSA-N 0 0 647.301 6.374 40 5 KKBBRN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150449881 571502266 /nfs/dbraw/zinc/50/22/66/571502266.db2.gz DLKFXFHHWOSJMG-CUYJMHBOSA-N 0 0 652.845 5.015 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224251850 571506690 /nfs/dbraw/zinc/50/66/90/571506690.db2.gz UTZAICHDSXQLDF-WJOKGBTCSA-N 0 0 649.169 5.610 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150465133 571507705 /nfs/dbraw/zinc/50/77/05/571507705.db2.gz MKVHHSUBMUBCJP-NKVSQWTQSA-N 0 0 673.166 8.242 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000150466001 571507844 /nfs/dbraw/zinc/50/78/44/571507844.db2.gz IZELOYUVLZICGX-UCQKPKSFSA-N 0 0 630.416 6.054 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224260436 571508707 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CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224295810 571515815 /nfs/dbraw/zinc/51/58/15/571515815.db2.gz KCSUBTUBDXYGJR-WJOKGBTCSA-N 0 0 663.196 5.998 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224295481 571515892 /nfs/dbraw/zinc/51/58/92/571515892.db2.gz PAUICOPDJYBFRD-HKBQPEDESA-N 0 0 632.714 5.096 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150492583 571517242 /nfs/dbraw/zinc/51/72/42/571517242.db2.gz OYNDZYVLFLHDJA-JGAIACPSSA-N 0 0 656.072 5.486 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000150492694 571517382 /nfs/dbraw/zinc/51/73/82/571517382.db2.gz PDDQINPLBQOQMW-UQDCTOEPSA-N 0 0 659.493 5.944 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224316733 571520414 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223675749 571524895 /nfs/dbraw/zinc/52/48/95/571524895.db2.gz DKECHGWHAQCHGM-OOXUFLSTSA-N 0 0 690.794 5.801 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224337749 571525213 /nfs/dbraw/zinc/52/52/13/571525213.db2.gz DIPSFXZLULFTHH-HKBQPEDESA-N 0 0 632.714 5.096 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150653175 571525954 /nfs/dbraw/zinc/52/59/54/571525954.db2.gz QEJZTYOUXZYPKY-FHQMNNMHSA-N 0 0 682.582 6.299 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223688206 571527130 /nfs/dbraw/zinc/52/71/30/571527130.db2.gz PVVQADTXOIPHCI-DEOSSOPVSA-N 0 0 514.409 5.220 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224357976 571529366 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ZINC000163246357 571533985 /nfs/dbraw/zinc/53/39/85/571533985.db2.gz WELZJOWAHZVXCF-OBDCIHEFSA-N 0 0 640.515 6.258 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163252797 571534232 /nfs/dbraw/zinc/53/42/32/571534232.db2.gz HCXXVUAUHDZBMJ-DXUGRCAZSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267457 571534347 /nfs/dbraw/zinc/53/43/47/571534347.db2.gz BOCZFTUSJREPJV-OIUASMPBSA-N 0 0 670.541 6.267 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163258704 571534352 /nfs/dbraw/zinc/53/43/52/571534352.db2.gz CAORXOIZPPJOMW-PSANAXBTSA-N 0 0 712.831 8.360 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163270813 571534556 /nfs/dbraw/zinc/53/45/56/571534556.db2.gz DYHHCTJUTSVZIU-NMSMXSODSA-N 0 0 771.602 6.716 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163270699 571534642 /nfs/dbraw/zinc/53/46/42/571534642.db2.gz DYHHCTJUTSVZIU-CHJZGFJOSA-N 0 0 771.602 6.716 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224393736 571536755 /nfs/dbraw/zinc/53/67/55/571536755.db2.gz AYCAXUVSKRLZKU-HXUWFJFHSA-N 0 0 621.543 5.286 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224393590 571536787 /nfs/dbraw/zinc/53/67/87/571536787.db2.gz IOHRUWLOFRQFDA-HXUWFJFHSA-N 0 0 621.543 5.286 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224396763 571537298 /nfs/dbraw/zinc/53/72/98/571537298.db2.gz PNQSZEPYJYNXOG-WJOKGBTCSA-N 0 0 646.741 5.484 40 5 KKBBRN 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ZINC000224402465 571538565 /nfs/dbraw/zinc/53/85/65/571538565.db2.gz APIPRPVDDXECJU-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223755783 571538788 /nfs/dbraw/zinc/53/87/88/571538788.db2.gz MGNUSVOSKRSYIJ-HHHXNRCGSA-N 0 0 601.125 5.167 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163645423 571538979 /nfs/dbraw/zinc/53/89/79/571538979.db2.gz JWJJHWQTJAIBDL-RISWYLRJSA-N 0 0 813.976 6.485 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163648858 571539186 /nfs/dbraw/zinc/53/91/86/571539186.db2.gz WTDQPVRSCNPAJZ-PKYOQBLNSA-N 0 0 694.087 6.635 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163679598 571540037 /nfs/dbraw/zinc/54/00/37/571540037.db2.gz IYFFRCDRWKCZPE-MFCBUNOESA-N 0 0 668.953 5.701 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163679487 571540041 /nfs/dbraw/zinc/54/00/41/571540041.db2.gz IYFFRCDRWKCZPE-SUAMDDGLSA-N 0 0 668.953 5.701 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163677151 571540043 /nfs/dbraw/zinc/54/00/43/571540043.db2.gz LXCYGYKJAUEMLC-MFUBYVTQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163678195 571540095 /nfs/dbraw/zinc/54/00/95/571540095.db2.gz QHWDVWRSBZKAQI-NFYDWNOTSA-N 0 0 729.949 5.832 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000163697287 571540649 /nfs/dbraw/zinc/54/06/49/571540649.db2.gz ZETJUOQMTANAAY-SOOGQRQDSA-N 0 0 696.785 6.840 40 5 KKBBRN 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ZINC000163738992 571542388 /nfs/dbraw/zinc/54/23/88/571542388.db2.gz LYPKHZIDSVTLNV-MXLMUYMQSA-N 0 0 666.668 5.569 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1 ZINC000163755432 571542667 /nfs/dbraw/zinc/54/26/67/571542667.db2.gz QFNWDXVVWWRMLB-WUVMUOLMSA-N 0 0 666.759 6.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163759340 571542847 /nfs/dbraw/zinc/54/28/47/571542847.db2.gz OHFGMFZGIJNVFL-VPHSIRQSSA-N 0 0 628.663 5.530 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 ZINC000163764395 571543009 /nfs/dbraw/zinc/54/30/09/571543009.db2.gz ZAZQHDKEWLRPJM-GEYGMGCISA-N 0 0 636.129 6.468 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 ZINC000163764266 571543017 /nfs/dbraw/zinc/54/30/17/571543017.db2.gz ZAZQHDKEWLRPJM-VNOBABJFSA-N 0 0 636.129 6.468 40 5 KKBBRN O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000163948599 571543584 /nfs/dbraw/zinc/54/35/84/571543584.db2.gz NMIYHNNJDCSAJZ-UHFFFAOYSA-N 0 0 683.797 6.826 40 5 KKBBRN CC1(C)C[C@@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936841 571543728 /nfs/dbraw/zinc/54/37/28/571543728.db2.gz VOZSDOMVLJKTAC-GWHBCOKCSA-N 0 0 733.333 11.981 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164185664 571544590 /nfs/dbraw/zinc/54/45/90/571544590.db2.gz WOORCWUHOGNCOJ-MRWVFDTMSA-N 0 0 643.718 5.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000164203986 571544958 /nfs/dbraw/zinc/54/49/58/571544958.db2.gz YUEMRWMLECQCPJ-MDYVMDJYSA-N 0 0 707.761 5.876 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000164201536 571545020 /nfs/dbraw/zinc/54/50/20/571545020.db2.gz ZMJXIGZKVYZUDC-OIUASMPBSA-N 0 0 799.640 5.696 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164200184 571545026 /nfs/dbraw/zinc/54/50/26/571545026.db2.gz ZESXQLOWCUWMGV-BXMULHQWSA-N 0 0 801.510 6.608 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223803445 571547340 /nfs/dbraw/zinc/54/73/40/571547340.db2.gz HJBDHHCVABFDOI-MHZLTWQESA-N 0 0 601.125 5.167 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164512547 571549064 /nfs/dbraw/zinc/54/90/64/571549064.db2.gz NHLWAVNHFZCSEX-KUSDHMTMSA-N 0 0 648.653 5.544 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224453018 571549480 /nfs/dbraw/zinc/54/94/80/571549480.db2.gz LPAFEUOXTDWGNS-QHCPKHFHSA-N 0 0 538.497 6.001 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164537720 571549644 /nfs/dbraw/zinc/54/96/44/571549644.db2.gz XDGMNLWNBPWBOE-GSASKQFNSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164540237 571549675 /nfs/dbraw/zinc/54/96/75/571549675.db2.gz LTODSCGRYKWPBL-FUAQWRKOSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164552226 571549834 /nfs/dbraw/zinc/54/98/34/571549834.db2.gz RDDDJZDVIRADJV-WGJPBTIMSA-N 0 0 899.501 6.641 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164554602 571549985 /nfs/dbraw/zinc/54/99/85/571549985.db2.gz XYCNNVFNGJUAND-PLNPHXOGSA-N 0 0 661.692 5.072 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4cccc5ccccc54)n3C)cc2s1 ZINC000164652223 571550409 /nfs/dbraw/zinc/55/04/09/571550409.db2.gz QNTIGDIYFPRSBQ-UHFFFAOYSA-N 0 0 642.788 7.109 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224462507 571551582 /nfs/dbraw/zinc/55/15/82/571551582.db2.gz BCMRXIUMPUDYOJ-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000164922412 571552216 /nfs/dbraw/zinc/55/22/16/571552216.db2.gz RJFIEAMIFCHNQN-UDHMSBBDSA-N 0 0 644.734 5.419 40 5 KKBBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 ZINC000167231498 571552707 /nfs/dbraw/zinc/55/27/07/571552707.db2.gz MGRXYAWZHPPKMD-QFIPXVFZSA-N 0 0 565.681 5.013 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223816132 571553914 /nfs/dbraw/zinc/55/39/14/571553914.db2.gz JSPIXBDORVHTAE-BCHFMIIMSA-N 0 0 542.463 5.999 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224476567 571554970 /nfs/dbraw/zinc/55/49/70/571554970.db2.gz CPNXKEDEWVOUFH-YTTGMZPUSA-N 0 0 762.112 7.234 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223820238 571555689 /nfs/dbraw/zinc/55/56/89/571555689.db2.gz PFSULFHBPZAHND-QCBOHVIISA-N 0 0 741.694 6.969 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224496342 571560171 /nfs/dbraw/zinc/56/01/71/571560171.db2.gz SQXDPYBISUKLSM-HKBQPEDESA-N 0 0 707.647 6.107 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223857384 571562706 /nfs/dbraw/zinc/56/27/06/571562706.db2.gz NRBZDWPBZABNTP-JOCHJYFZSA-N 0 0 526.486 5.859 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 ZINC000224507102 571562769 /nfs/dbraw/zinc/56/27/69/571562769.db2.gz VUAJIIRKHUROQR-PKTZIBPZSA-N 0 0 520.412 5.720 40 5 KKBBRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197695966 571564405 /nfs/dbraw/zinc/56/44/05/571564405.db2.gz ZBZFCFNGHXFVBX-FQKMCRJQSA-N 0 0 588.483 5.388 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000197764288 571564594 /nfs/dbraw/zinc/56/45/94/571564594.db2.gz NWPJJMGACJUPDO-HSZRJFAPSA-N 0 0 579.708 5.496 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197825386 571564908 /nfs/dbraw/zinc/56/49/08/571564908.db2.gz KJTGCNLRXCTCDN-UHFFFAOYSA-N 0 0 669.059 5.902 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223873776 571565805 /nfs/dbraw/zinc/56/58/05/571565805.db2.gz PGMPUVSWDMBBNX-WNSROMTISA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223875390 571566117 /nfs/dbraw/zinc/56/61/17/571566117.db2.gz RQFLGQRSUAHFRP-NFQMXDRXSA-N 0 0 635.570 5.222 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224527627 571566996 /nfs/dbraw/zinc/56/69/96/571566996.db2.gz XLCFWQDWXISACB-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224527461 571567040 /nfs/dbraw/zinc/56/70/40/571567040.db2.gz HKHIWXOWJDVRCW-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000205659644 571569485 /nfs/dbraw/zinc/56/94/85/571569485.db2.gz ZJKROIDRYMWJAS-GEVRCRHISA-N 0 0 657.804 7.787 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223896680 571570191 /nfs/dbraw/zinc/57/01/91/571570191.db2.gz NJNFDZHJICAMSF-NIYFSFCBSA-N 0 0 588.488 5.844 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224542077 571570415 /nfs/dbraw/zinc/57/04/15/571570415.db2.gz CMQMJUOEKNKHOM-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205800060 571571395 /nfs/dbraw/zinc/57/13/95/571571395.db2.gz ZZZXKLPWPBNPJP-HYARGMPZSA-N 0 0 651.479 5.226 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223909796 571573171 /nfs/dbraw/zinc/57/31/71/571573171.db2.gz IUUNYKLMZNZKIF-FQEVSTJZSA-N 0 0 633.554 5.573 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223911457 571573636 /nfs/dbraw/zinc/57/36/36/571573636.db2.gz LPRDMUAMMHBEKX-DCFHFQCYSA-N 0 0 588.557 6.690 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208358480 571573858 /nfs/dbraw/zinc/57/38/58/571573858.db2.gz UQSDPUYVWGVEEC-CCLVUABDSA-N 0 0 609.660 5.437 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224559078 571574313 /nfs/dbraw/zinc/57/43/13/571574313.db2.gz KUQBTPYOORBZNU-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1 ZINC000210091576 571575391 /nfs/dbraw/zinc/57/53/91/571575391.db2.gz XKVJXMTYLYKBNI-YQYKVWLJSA-N 0 0 632.698 7.304 40 5 KKBBRN O=C(CSc1ccc(NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000210089122 571575475 /nfs/dbraw/zinc/57/54/75/571575475.db2.gz NXKUMUBCSLHUBJ-YQYKVWLJSA-N 0 0 701.786 8.119 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214041489 571577183 /nfs/dbraw/zinc/57/71/83/571577183.db2.gz ZVLUTVGRZKNZCS-WSDLNYQXSA-N 0 0 530.480 6.651 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223930490 571577678 /nfs/dbraw/zinc/57/76/78/571577678.db2.gz LZWVDLNYQPYGGB-WNSROMTISA-N 0 0 741.694 6.969 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214190591 571577887 /nfs/dbraw/zinc/57/78/87/571577887.db2.gz CPQKMULONNXWHW-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223932075 571577950 /nfs/dbraw/zinc/57/79/50/571577950.db2.gz NNAZRMKZRRAITM-NFQMXDRXSA-N 0 0 635.570 5.222 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214200914 571578051 /nfs/dbraw/zinc/57/80/51/571578051.db2.gz BTLGIEJPWLYLBI-FSJBWODESA-N 0 0 562.497 7.180 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214407838 571578886 /nfs/dbraw/zinc/57/88/86/571578886.db2.gz OCOVOYFNOIOBND-ZVBGSRNCSA-N 0 0 569.344 7.949 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224579473 571579476 /nfs/dbraw/zinc/57/94/76/571579476.db2.gz DYGNXINSOQXEQF-VWLOTQADSA-N 0 0 588.488 5.844 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214490746 571579559 /nfs/dbraw/zinc/57/95/59/571579559.db2.gz IFXIDFQYSNXLGS-OEAKJJBVSA-N 0 0 612.458 6.010 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214620779 571579690 /nfs/dbraw/zinc/57/96/90/571579690.db2.gz RERPQEKJPHMCOD-ZMOGYAJESA-N 0 0 558.534 7.350 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214603940 571579699 /nfs/dbraw/zinc/57/96/99/571579699.db2.gz FEMWVDLHVQJMJM-FSJBWODESA-N 0 0 544.507 6.959 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214583317 571579726 /nfs/dbraw/zinc/57/97/26/571579726.db2.gz FLQIVQRUBOSMNZ-WSDLNYQXSA-N 0 0 521.507 5.849 40 5 KKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000214639323 571579839 /nfs/dbraw/zinc/57/98/39/571579839.db2.gz LLJKFHJXSPSNCH-SSDVNMTOSA-N 0 0 593.377 7.713 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214627372 571579867 /nfs/dbraw/zinc/57/98/67/571579867.db2.gz FKQXBDDGWLXJJS-FSJBWODESA-N 0 0 521.507 5.849 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1 ZINC000214670427 571580145 /nfs/dbraw/zinc/58/01/45/571580145.db2.gz JONNHQASYONWKT-CIAFOILYSA-N 0 0 543.479 6.081 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214709014 571580559 /nfs/dbraw/zinc/58/05/59/571580559.db2.gz MRZGZGPWKMGHQG-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214707461 571580596 /nfs/dbraw/zinc/58/05/96/571580596.db2.gz OZOQIGXHPZGAOK-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223945152 571580763 /nfs/dbraw/zinc/58/07/63/571580763.db2.gz GETLACROEKMBFF-SFHVURJKSA-N 0 0 671.987 5.621 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214787015 571580872 /nfs/dbraw/zinc/58/08/72/571580872.db2.gz BZUPEUHTYJRVTA-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214775547 571580990 /nfs/dbraw/zinc/58/09/90/571580990.db2.gz VKHGRKFNVPYAPO-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000214813298 571581313 /nfs/dbraw/zinc/58/13/13/571581313.db2.gz ZHBLURMMLGDDMV-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223947976 571581388 /nfs/dbraw/zinc/58/13/88/571581388.db2.gz OLKOWZBLIVQOFF-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214902412 571581727 /nfs/dbraw/zinc/58/17/27/571581727.db2.gz UNTJIHGLCVQIDI-ZMOGYAJESA-N 0 0 503.967 6.488 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214931260 571582012 /nfs/dbraw/zinc/58/20/12/571582012.db2.gz SJLVNMGHKCJNJZ-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Br ZINC000214968229 571582185 /nfs/dbraw/zinc/58/21/85/571582185.db2.gz CQHKVYNFHOFWOJ-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000214990052 571582416 /nfs/dbraw/zinc/58/24/16/571582416.db2.gz FXNBXXDOSFOWQO-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C1S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215000259 571582428 /nfs/dbraw/zinc/58/24/28/571582428.db2.gz PPFHCSQJIGGCAR-SRZZPIQSSA-N 0 0 698.276 6.620 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 ZINC000223953581 571582820 /nfs/dbraw/zinc/58/28/20/571582820.db2.gz KJSYQTLINWXVHX-IZLXSDGUSA-N 0 0 557.632 5.272 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215111668 571583094 /nfs/dbraw/zinc/58/30/94/571583094.db2.gz NDHFKLWYEQMPGM-AUEPDCJTSA-N 0 0 596.942 7.834 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215228082 571584118 /nfs/dbraw/zinc/58/41/18/571584118.db2.gz XNZBVFMIWOIGEQ-KIBLKLHPSA-N 0 0 568.991 6.191 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215263778 571584241 /nfs/dbraw/zinc/58/42/41/571584241.db2.gz SVYBNPBJXONMOO-QPJQQBGISA-N 0 0 555.908 5.914 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223979376 571587808 /nfs/dbraw/zinc/58/78/08/571587808.db2.gz WCOVYMMKNCBGER-INIZCTEOSA-N 0 0 524.470 5.611 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 ZINC000223994062 571591308 /nfs/dbraw/zinc/59/13/08/571591308.db2.gz WODVRCSOQNNLPJ-FTJBHMTQSA-N 0 0 529.578 5.394 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000216127855 571593116 /nfs/dbraw/zinc/59/31/16/571593116.db2.gz QSKAAAJUXXZNOC-UHFFFAOYSA-N 0 0 596.445 5.229 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224650097 571595102 /nfs/dbraw/zinc/59/51/02/571595102.db2.gz KMQBYRANHBZJND-WDYNHAJCSA-N 0 0 534.597 7.219 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000224656686 571596836 /nfs/dbraw/zinc/59/68/36/571596836.db2.gz CLCXURXJMHDUGY-URLMMPGGSA-N 0 0 534.597 7.219 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224033254 571598916 /nfs/dbraw/zinc/59/89/16/571598916.db2.gz LOMFAHMBGCAYQA-DQEYMECFSA-N 0 0 516.535 5.164 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224673227 571600330 /nfs/dbraw/zinc/60/03/30/571600330.db2.gz SQZBKTKILMTQIQ-HHHXNRCGSA-N 0 0 601.125 5.023 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224673349 571600416 /nfs/dbraw/zinc/60/04/16/571600416.db2.gz GDXDIPDJQRFHGA-HHHXNRCGSA-N 0 0 601.125 5.023 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224681749 571602550 /nfs/dbraw/zinc/60/25/50/571602550.db2.gz RXUPJFXWOINTIK-IHLOFXLRSA-N 0 0 547.640 7.058 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224690579 571605064 /nfs/dbraw/zinc/60/50/64/571605064.db2.gz DCGDULVVFQSOPT-FQEVSTJZSA-N 0 0 696.020 5.465 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224709029 571607616 /nfs/dbraw/zinc/60/76/16/571607616.db2.gz FFCCNSCPPCKWMM-NRFANRHFSA-N 0 0 643.560 5.029 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224709084 571607620 /nfs/dbraw/zinc/60/76/20/571607620.db2.gz FFCCNSCPPCKWMM-OAQYLSRUSA-N 0 0 643.560 5.029 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224710185 571607927 /nfs/dbraw/zinc/60/79/27/571607927.db2.gz CWRKORGQSMPCNM-MHZLTWQESA-N 0 0 601.125 5.023 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224718314 571609711 /nfs/dbraw/zinc/60/97/11/571609711.db2.gz WELLIZYDDGLACG-NRFANRHFSA-N 0 0 722.058 5.999 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C ZINC000224104453 571610466 /nfs/dbraw/zinc/61/04/66/571610466.db2.gz NGVIAMATOJAZDS-KAYWLYCHSA-N 0 0 540.649 5.861 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224725133 571611242 /nfs/dbraw/zinc/61/12/42/571611242.db2.gz CEABISQTGQRVFY-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224745899 571613219 /nfs/dbraw/zinc/61/32/19/571613219.db2.gz JWNXYASFCSPQNP-QFIPXVFZSA-N 0 0 687.613 5.346 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 ZINC000224756017 571614259 /nfs/dbraw/zinc/61/42/59/571614259.db2.gz AQEHKNWULXQPQM-CONSDPRKSA-N 0 0 594.649 7.236 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224759284 571614548 /nfs/dbraw/zinc/61/45/48/571614548.db2.gz WCHNSMXHDLXXFP-XZWHSSHBSA-N 0 0 564.623 7.228 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 ZINC000224762753 571614852 /nfs/dbraw/zinc/61/48/52/571614852.db2.gz BEGNHHVQWSSHRS-JWQCQUIFSA-N 0 0 501.637 6.263 40 5 KKBBRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I ZINC000224763009 571614880 /nfs/dbraw/zinc/61/48/80/571614880.db2.gz XUNQGYMLSWNCEA-RPBOFIJWSA-N 0 0 627.533 6.868 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000224764287 571614985 /nfs/dbraw/zinc/61/49/85/571614985.db2.gz VXFCENXBXMFEDA-FQLXRVMXSA-N 0 0 564.696 6.812 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 ZINC000224764816 571615031 /nfs/dbraw/zinc/61/50/31/571615031.db2.gz KVXAXIWMIFBTMO-FQLXRVMXSA-N 0 0 606.758 7.719 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 ZINC000224765658 571615109 /nfs/dbraw/zinc/61/51/09/571615109.db2.gz DBTUWUGTCXQBGM-KYJUHHDHSA-N 0 0 578.723 7.121 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000224766875 571615173 /nfs/dbraw/zinc/61/51/73/571615173.db2.gz YDKPICZPMPSSNZ-VMPREFPWSA-N 0 0 618.571 8.416 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000224766926 571615174 /nfs/dbraw/zinc/61/51/74/571615174.db2.gz YDKPICZPMPSSNZ-WDYNHAJCSA-N 0 0 618.571 8.416 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 ZINC000224768316 571615306 /nfs/dbraw/zinc/61/53/06/571615306.db2.gz VRPBBOVLQJBATP-ZGOJTZKKSA-N 0 0 557.701 6.299 40 5 KKBBRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224769002 571615356 /nfs/dbraw/zinc/61/53/56/571615356.db2.gz SPLJXYOTBKJVDT-UIOOFZCWSA-N 0 0 529.691 6.875 40 5 KKBBRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781085 571616491 /nfs/dbraw/zinc/61/64/91/571616491.db2.gz ANWQGRCRGSZTRO-XZWHSSHBSA-N 0 0 563.708 7.417 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 ZINC000224781805 571616527 /nfs/dbraw/zinc/61/65/27/571616527.db2.gz LPPHSOKSHIQWHC-VMPREFPWSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 ZINC000224781943 571616561 /nfs/dbraw/zinc/61/65/61/571616561.db2.gz LPPHSOKSHIQWHC-FQLXRVMXSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 ZINC000224782333 571616640 /nfs/dbraw/zinc/61/66/40/571616640.db2.gz JLMNWHZBZSSKAH-FQLXRVMXSA-N 0 0 628.577 7.871 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224784054 571616763 /nfs/dbraw/zinc/61/67/63/571616763.db2.gz BGJACDMPWHVNQJ-WDYNHAJCSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224783944 571616793 /nfs/dbraw/zinc/61/67/93/571616793.db2.gz GJOILVNRCHFORT-FQLXRVMXSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 ZINC000224785933 571616970 /nfs/dbraw/zinc/61/69/70/571616970.db2.gz BPJMJSMTDBMDPC-URLMMPGGSA-N 0 0 568.655 7.717 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224786585 571617048 /nfs/dbraw/zinc/61/70/48/571617048.db2.gz FRTNYONXHMTAIH-FQLXRVMXSA-N 0 0 595.662 7.486 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 ZINC000224788825 571617219 /nfs/dbraw/zinc/61/72/19/571617219.db2.gz CCUFLJUZAFXSKW-WDYNHAJCSA-N 0 0 647.551 8.480 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(C4CCCC4)c3)cc2)cc1 ZINC000224790525 571617353 /nfs/dbraw/zinc/61/73/53/571617353.db2.gz ZURKORDWSWBHID-VSGBNLITSA-N 0 0 541.702 7.235 40 5 KKBBRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224792743 571617649 /nfs/dbraw/zinc/61/76/49/571617649.db2.gz VXIYMZPVPUPUGL-LOYHVIPDSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224793773 571617748 /nfs/dbraw/zinc/61/77/48/571617748.db2.gz DGKQMSRIYOAOKV-XZWHSSHBSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224796210 571617978 /nfs/dbraw/zinc/61/79/78/571617978.db2.gz RYSRTUJUEIQJPM-HHHXNRCGSA-N 0 0 519.667 5.301 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224818805 571620061 /nfs/dbraw/zinc/62/00/61/571620061.db2.gz QSAZCEABOXSWBN-LJAQVGFWSA-N 0 0 545.705 5.835 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224825938 571620804 /nfs/dbraw/zinc/62/08/04/571620804.db2.gz ZHAVCYBBYWLOQX-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224827757 571621004 /nfs/dbraw/zinc/62/10/04/571621004.db2.gz IDGVWROTMKIPDN-BHVANESWSA-N 0 0 698.842 6.114 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224829796 571621261 /nfs/dbraw/zinc/62/12/61/571621261.db2.gz LOXCRAAHGWMQAS-DHUJRADRSA-N 0 0 733.287 6.768 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224833642 571621609 /nfs/dbraw/zinc/62/16/09/571621609.db2.gz SJUQFAKPAUJFEZ-XIFFEERXSA-N 0 0 707.249 6.234 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224847360 571622779 /nfs/dbraw/zinc/62/27/79/571622779.db2.gz NEQMJKDVIGTODB-QFIPXVFZSA-N 0 0 526.486 5.714 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224851579 571623129 /nfs/dbraw/zinc/62/31/29/571623129.db2.gz PHZPSZHSQJQVAZ-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224851961 571623209 /nfs/dbraw/zinc/62/32/09/571623209.db2.gz IHBROGLWKZVHAD-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224857483 571623775 /nfs/dbraw/zinc/62/37/75/571623775.db2.gz DEWLQMBFMIWRGV-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224890342 571627172 /nfs/dbraw/zinc/62/71/72/571627172.db2.gz QQQHFSMYFIPNDL-NRFANRHFSA-N 0 0 726.079 6.934 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224898004 571627958 /nfs/dbraw/zinc/62/79/58/571627958.db2.gz QKBKNYCBDXTPKQ-LJQANCHMSA-N 0 0 686.014 6.011 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224899969 571628161 /nfs/dbraw/zinc/62/81/61/571628161.db2.gz WAHULCSQSNTIAN-MRXNPFEDSA-N 0 0 538.428 5.155 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224904838 571628523 /nfs/dbraw/zinc/62/85/23/571628523.db2.gz PEGUWICOXUONHJ-UMSFTDKQSA-N 0 0 753.705 7.113 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224909373 571628935 /nfs/dbraw/zinc/62/89/35/571628935.db2.gz DQDAULTVARLFQH-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224932193 571631287 /nfs/dbraw/zinc/63/12/87/571631287.db2.gz FJVXJILIVSWHCY-SANMLTNESA-N 0 0 523.630 5.132 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 ZINC000224943558 571632466 /nfs/dbraw/zinc/63/24/66/571632466.db2.gz KIRKITRXSUQRIP-RPBOFIJWSA-N 0 0 565.449 6.506 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000224946488 571632704 /nfs/dbraw/zinc/63/27/04/571632704.db2.gz IQATZVLTRRTJLY-BJKOFHAPSA-N 0 0 535.423 6.498 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224951861 571633248 /nfs/dbraw/zinc/63/32/48/571633248.db2.gz DRQYMEATUNJONK-IBGZPJMESA-N 0 0 607.516 5.040 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224967806 571634832 /nfs/dbraw/zinc/63/48/32/571634832.db2.gz RSPWJRYFNYCUQI-ZEQRLZLVSA-N 0 0 505.987 5.620 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224988721 571636737 /nfs/dbraw/zinc/63/67/37/571636737.db2.gz INUPGMNXNLAJQR-HKBQPEDESA-N 0 0 693.620 5.717 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000224996434 571637622 /nfs/dbraw/zinc/63/76/22/571637622.db2.gz XRKPKUZKKZJGGD-FQLXRVMXSA-N 0 0 573.122 6.847 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000224998485 571637850 /nfs/dbraw/zinc/63/78/50/571637850.db2.gz BSCXZPTVTNUSQC-FQLXRVMXSA-N 0 0 574.106 7.317 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000225003898 571638259 /nfs/dbraw/zinc/63/82/59/571638259.db2.gz XWYFPOLMFUGRAQ-URLMMPGGSA-N 0 0 574.106 7.317 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225011344 571638784 /nfs/dbraw/zinc/63/87/84/571638784.db2.gz QCPCOTVEABXFAO-SANMLTNESA-N 0 0 584.536 5.755 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225021820 571639759 /nfs/dbraw/zinc/63/97/59/571639759.db2.gz GUNVCARHAXIZHS-UMSFTDKQSA-N 0 0 798.156 7.222 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225037776 571641142 /nfs/dbraw/zinc/64/11/42/571641142.db2.gz JMQBYDSVWGLGOE-RUZDIDTESA-N 0 0 528.436 5.609 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225048893 571642075 /nfs/dbraw/zinc/64/20/75/571642075.db2.gz KINRGMYUQPEYFL-YTTGMZPUSA-N 0 0 762.112 7.232 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225058422 571642904 /nfs/dbraw/zinc/64/29/04/571642904.db2.gz DSOKDTQVUNLSIG-SVBPBHIXSA-N 0 0 529.622 5.733 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225067376 571643693 /nfs/dbraw/zinc/64/36/93/571643693.db2.gz RIWGQGQKRGMFLP-HKBQPEDESA-N 0 0 683.614 6.262 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225090365 571646342 /nfs/dbraw/zinc/64/63/42/571646342.db2.gz MYJXFHNBXULPPD-RUZDIDTESA-N 0 0 528.436 5.609 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225090408 571646370 /nfs/dbraw/zinc/64/63/70/571646370.db2.gz MYJXFHNBXULPPD-VWLOTQADSA-N 0 0 528.436 5.609 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225101271 571647305 /nfs/dbraw/zinc/64/73/05/571647305.db2.gz GUWXVHGZMGSHTR-YTTGMZPUSA-N 0 0 762.112 7.232 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C ZINC000225113292 571648681 /nfs/dbraw/zinc/64/86/81/571648681.db2.gz XSIZIDYDNVCYID-SXOMAYOGSA-N 0 0 571.659 6.420 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225115535 571648919 /nfs/dbraw/zinc/64/89/19/571648919.db2.gz LUEJPYZSKJUAPA-GDLZYMKVSA-N 0 0 685.243 6.325 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225116364 571648981 /nfs/dbraw/zinc/64/89/81/571648981.db2.gz UBPCTOYARRWMBZ-HHHXNRCGSA-N 0 0 535.666 5.001 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225134889 571650577 /nfs/dbraw/zinc/65/05/77/571650577.db2.gz RDQUSURQYYHGDU-LJAQVGFWSA-N 0 0 627.163 5.700 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000225139374 571651092 /nfs/dbraw/zinc/65/10/92/571651092.db2.gz DDEDKYPKLBWCQD-FTJBHMTQSA-N 0 0 561.067 6.206 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225139541 571651102 /nfs/dbraw/zinc/65/11/02/571651102.db2.gz MRBQTAZMSXETRV-FTJBHMTQSA-N 0 0 561.067 6.206 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225139501 571651108 /nfs/dbraw/zinc/65/11/08/571651108.db2.gz MRBQTAZMSXETRV-UIOOFZCWSA-N 0 0 561.067 6.206 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000225147044 571652045 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CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000225203447 571657615 /nfs/dbraw/zinc/65/76/15/571657615.db2.gz ZKEKBDYGOSCLJS-KAYWLYCHSA-N 0 0 543.605 5.784 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225214292 571658595 /nfs/dbraw/zinc/65/85/95/571658595.db2.gz VXPLTWNNCMHFBB-JOCHJYFZSA-N 0 0 675.602 5.203 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225220736 571659363 /nfs/dbraw/zinc/65/93/63/571659363.db2.gz KEACDCJUOGQUIK-JOCHJYFZSA-N 0 0 506.430 5.700 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225231492 571660550 /nfs/dbraw/zinc/66/05/50/571660550.db2.gz JHAQGYSJIFAOHA-IZZNHLLZSA-N 0 0 529.578 5.012 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225234311 571660826 /nfs/dbraw/zinc/66/08/26/571660826.db2.gz XSNHZBXXHHZXTR-MUUNZHRXSA-N 0 0 740.106 7.324 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225245521 571662041 /nfs/dbraw/zinc/66/20/41/571662041.db2.gz VXWXYZQNKFRYRN-MUUNZHRXSA-N 0 0 545.636 5.071 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225245685 571662123 /nfs/dbraw/zinc/66/21/23/571662123.db2.gz GTVSAORGXKQEPR-QFIPXVFZSA-N 0 0 675.602 5.203 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225263300 571664025 /nfs/dbraw/zinc/66/40/25/571664025.db2.gz NCANRBVXWCYIAU-HHHXNRCGSA-N 0 0 519.667 5.384 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225264627 571664210 /nfs/dbraw/zinc/66/42/10/571664210.db2.gz KPRVNXOMRLCJMH-VQTJNVASSA-N 0 0 700.041 6.399 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225267013 571664502 /nfs/dbraw/zinc/66/45/02/571664502.db2.gz JCMYCVYVZPFTDT-JGCGQSQUSA-N 0 0 628.751 5.347 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225268464 571664722 /nfs/dbraw/zinc/66/47/22/571664722.db2.gz LCBCTKFQFOQCPW-RUZDIDTESA-N 0 0 649.141 5.233 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225274696 571665437 /nfs/dbraw/zinc/66/54/37/571665437.db2.gz NPVUODSRVPRJRH-UMSFTDKQSA-N 0 0 672.804 5.664 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225277019 571665705 /nfs/dbraw/zinc/66/57/05/571665705.db2.gz GOSNHEXALCUAJU-DEOSSOPVSA-N 0 0 552.524 6.391 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225286677 571666661 /nfs/dbraw/zinc/66/66/61/571666661.db2.gz ZOWPSLWLTZFLSP-AREMUKBSSA-N 0 0 621.543 5.431 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225287591 571666776 /nfs/dbraw/zinc/66/67/76/571666776.db2.gz YXDCEGGQKHCEPK-PMERELPUSA-N 0 0 705.661 6.670 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000225295526 571667854 /nfs/dbraw/zinc/66/78/54/571667854.db2.gz QHUWFJOEENQBTB-DHUJRADRSA-N 0 0 668.816 6.188 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225297245 571668192 /nfs/dbraw/zinc/66/81/92/571668192.db2.gz YBAOQELAALHHNW-WOJBJXKFSA-N 0 0 700.041 6.399 40 5 KKBBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC ZINC000225309849 571669957 /nfs/dbraw/zinc/66/99/57/571669957.db2.gz KRXIYALNMTYZKD-KAYWLYCHSA-N 0 0 559.604 5.020 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225313079 571670618 /nfs/dbraw/zinc/67/06/18/571670618.db2.gz UNAWNZQDKMPCHB-SANMLTNESA-N 0 0 621.543 5.431 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225313566 571670687 /nfs/dbraw/zinc/67/06/87/571670687.db2.gz YDCHOYGRHCOWGK-GDLZYMKVSA-N 0 0 701.242 6.025 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O ZINC000225331600 571689378 /nfs/dbraw/zinc/68/93/78/571689378.db2.gz HVUPFEGNUDRBEC-KAYWLYCHSA-N 0 0 559.604 5.403 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NC(C)=O ZINC000225333689 571691973 /nfs/dbraw/zinc/69/19/73/571691973.db2.gz UBZDZOSXOWNEIA-CLJLJLNGSA-N 0 0 529.578 5.394 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260800477 571708755 /nfs/dbraw/zinc/70/87/55/571708755.db2.gz PCMGVWPIAMJNBP-OAQYLSRUSA-N 0 0 726.079 6.934 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225349421 571710146 /nfs/dbraw/zinc/71/01/46/571710146.db2.gz ALHGHXKIYRLLFC-VWLOTQADSA-N 0 0 700.041 6.401 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 ZINC000225357464 571718673 /nfs/dbraw/zinc/71/86/73/571718673.db2.gz PDJLOYFDVACVKP-RRPNLBNLSA-N 0 0 530.606 6.223 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225363735 571726455 /nfs/dbraw/zinc/72/64/55/571726455.db2.gz MLQGYLDGNGZPNO-FCHUYYIVSA-N 0 0 661.177 5.101 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260825641 571735802 /nfs/dbraw/zinc/73/58/02/571735802.db2.gz ZPJREEACVVDXSD-OAQYLSRUSA-N 0 0 661.152 5.376 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225374234 571740104 /nfs/dbraw/zinc/74/01/04/571740104.db2.gz VRHSGVGQQMCWDD-UMSFTDKQSA-N 0 0 672.779 6.018 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225377150 571743786 /nfs/dbraw/zinc/74/37/86/571743786.db2.gz XHVNQWMNUPJJPP-SANMLTNESA-N 0 0 661.177 5.103 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225379768 571747231 /nfs/dbraw/zinc/74/72/31/571747231.db2.gz CWRYODMNGJVHOC-DHUJRADRSA-N 0 0 751.277 6.989 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260866415 571768125 /nfs/dbraw/zinc/76/81/25/571768125.db2.gz JCTVESBUVZXOFD-MGBGTMOVSA-N 0 0 676.767 5.411 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260876857 571782250 /nfs/dbraw/zinc/78/22/50/571782250.db2.gz MXPFUGIGBMEMKY-HXUWFJFHSA-N 0 0 696.020 5.465 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260882370 571791342 /nfs/dbraw/zinc/79/13/42/571791342.db2.gz COIWXYPXHIMWJW-PGUFJCEWSA-N 0 0 684.815 5.888 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260883521 571792799 /nfs/dbraw/zinc/79/27/99/571792799.db2.gz CFVLAJYPTOTFOD-IDISGSTGSA-N 0 0 601.125 5.166 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225435008 571802305 /nfs/dbraw/zinc/80/23/05/571802305.db2.gz ACFWJVAUEVYCHO-SANMLTNESA-N 0 0 508.018 5.347 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225434974 571802397 /nfs/dbraw/zinc/80/23/97/571802397.db2.gz ACFWJVAUEVYCHO-AREMUKBSSA-N 0 0 508.018 5.347 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225435429 571802873 /nfs/dbraw/zinc/80/28/73/571802873.db2.gz BEILPVSPVPYRKK-MUUNZHRXSA-N 0 0 624.532 5.834 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260891347 571805590 /nfs/dbraw/zinc/80/55/90/571805590.db2.gz GAYQPYIXSOYUCC-PGUFJCEWSA-N 0 0 802.177 8.156 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225438963 571808168 /nfs/dbraw/zinc/80/81/68/571808168.db2.gz FJOOFSAAAWPNRL-DHIUTWEWSA-N 0 0 645.178 5.135 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225447991 571819994 /nfs/dbraw/zinc/81/99/94/571819994.db2.gz UNEUDFWYOZGYFJ-BHVANESWSA-N 0 0 777.738 6.959 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225463099 571834487 /nfs/dbraw/zinc/83/44/87/571834487.db2.gz RGIMOHDELRJXAX-MHZLTWQESA-N 0 0 537.657 5.524 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225464608 571835829 /nfs/dbraw/zinc/83/58/29/571835829.db2.gz UQUHVCLKYIHMPN-UMSFTDKQSA-N 0 0 723.679 7.186 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225464665 571835856 /nfs/dbraw/zinc/83/58/56/571835856.db2.gz ZAVHUZLBDLOHDO-UMSFTDKQSA-N 0 0 723.679 7.186 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225473997 571844070 /nfs/dbraw/zinc/84/40/70/571844070.db2.gz GVQYVANCTVWOQA-UUWRZZSWSA-N 0 0 690.794 5.803 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260917438 571850794 /nfs/dbraw/zinc/85/07/94/571850794.db2.gz GKKWHMCHWDUHQY-UUWRZZSWSA-N 0 0 707.249 6.173 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 ZINC000260924247 571862263 /nfs/dbraw/zinc/86/22/63/571862263.db2.gz SOYMDDDNYJLTRR-NELHGCTQSA-N 0 0 588.133 7.563 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260924530 571863294 /nfs/dbraw/zinc/86/32/94/571863294.db2.gz IGTIZYQRYDRTAA-OAQYLSRUSA-N 0 0 569.680 5.425 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 ZINC000260927600 571869822 /nfs/dbraw/zinc/86/98/22/571869822.db2.gz ZCUHWIAVXUBRDS-NELHGCTQSA-N 0 0 588.133 7.563 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225500753 571870602 /nfs/dbraw/zinc/87/06/02/571870602.db2.gz KOTOVBTWADMYRC-UMSFTDKQSA-N 0 0 690.794 5.803 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260929824 571873793 /nfs/dbraw/zinc/87/37/93/571873793.db2.gz HJXCHVDWVUFGCS-IDISGSTGSA-N 0 0 601.125 5.166 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225510355 571881319 /nfs/dbraw/zinc/88/13/19/571881319.db2.gz QQUSZZJMDOJMIA-SSEXGKCCSA-N 0 0 665.168 5.147 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225510393 571881494 /nfs/dbraw/zinc/88/14/94/571881494.db2.gz QQUSZZJMDOJMIA-PMERELPUSA-N 0 0 665.168 5.147 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260936883 571888603 /nfs/dbraw/zinc/88/86/03/571888603.db2.gz MVIMKFJUUCNDFK-UUWRZZSWSA-N 0 0 721.276 6.481 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260938870 571892084 /nfs/dbraw/zinc/89/20/84/571892084.db2.gz RFZYFKBCOREDGD-PSXMRANNSA-N 0 0 767.732 7.503 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260942341 571898989 /nfs/dbraw/zinc/89/89/89/571898989.db2.gz IUVPUQXGCGJBPN-JOCHJYFZSA-N 0 0 645.178 5.401 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260943504 571899765 /nfs/dbraw/zinc/89/97/65/571899765.db2.gz SHYUBKBRGBWUJN-GDLZYMKVSA-N 0 0 661.608 5.757 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225540525 571905826 /nfs/dbraw/zinc/90/58/26/571905826.db2.gz XVTGHSUNVPZLOJ-UIOOFZCWSA-N 0 0 513.579 5.251 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260946080 571905870 /nfs/dbraw/zinc/90/58/70/571905870.db2.gz JHXZRGNBBADFAF-DWACAAAGSA-N 0 0 645.178 5.483 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225542337 571907329 /nfs/dbraw/zinc/90/73/29/571907329.db2.gz MJMQIMLYGNXYIR-AREMUKBSSA-N 0 0 552.469 5.456 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260952321 571916954 /nfs/dbraw/zinc/91/69/54/571916954.db2.gz VRHSGVGQQMCWDD-UUWRZZSWSA-N 0 0 672.779 6.018 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225562586 571924507 /nfs/dbraw/zinc/92/45/07/571924507.db2.gz PYOKCEMNIOIESJ-VSGBNLITSA-N 0 0 541.633 5.814 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225562553 571924524 /nfs/dbraw/zinc/92/45/24/571924524.db2.gz PYOKCEMNIOIESJ-WUFINQPMSA-N 0 0 541.633 5.814 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225578526 571938416 /nfs/dbraw/zinc/93/84/16/571938416.db2.gz TVZUTVQSHUMJMT-MGBGTMOVSA-N 0 0 776.139 7.624 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225579569 571939250 /nfs/dbraw/zinc/93/92/50/571939250.db2.gz BTXARDGXJPTELF-MHZLTWQESA-N 0 0 665.596 5.233 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260966590 571939410 /nfs/dbraw/zinc/93/94/10/571939410.db2.gz HYTYXBFVHVMLLM-PSXMRANNSA-N 0 0 698.842 6.114 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000260970572 571942348 /nfs/dbraw/zinc/94/23/48/571942348.db2.gz IUZSIYVXTIHSGD-JGCGQSQUSA-N 0 0 658.777 5.354 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225598777 571952988 /nfs/dbraw/zinc/95/29/88/571952988.db2.gz OINCMGDNBNYTGG-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 ZINC000225601905 571956071 /nfs/dbraw/zinc/95/60/71/571956071.db2.gz LGTQMFSODNUSPQ-KAYWLYCHSA-N 0 0 561.595 5.399 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 ZINC000225601965 571956121 /nfs/dbraw/zinc/95/61/21/571956121.db2.gz LGTQMFSODNUSPQ-RRPNLBNLSA-N 0 0 561.595 5.399 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 ZINC000225604098 571957667 /nfs/dbraw/zinc/95/76/67/571957667.db2.gz DBGLXARVGREVRO-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260984771 571959847 /nfs/dbraw/zinc/95/98/47/571959847.db2.gz BPLSYKQOCUVPSZ-SFRLIIPVSA-N 0 0 751.700 6.424 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000260987517 571964647 /nfs/dbraw/zinc/96/46/47/571964647.db2.gz MSZVHEBHLBVZGK-UUWRZZSWSA-N 0 0 654.789 5.797 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225613403 571964718 /nfs/dbraw/zinc/96/47/18/571964718.db2.gz LIVNIQVHZYZCKW-HHHXNRCGSA-N 0 0 588.557 6.691 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260988871 571966626 /nfs/dbraw/zinc/96/66/26/571966626.db2.gz CIKYDNWVZJSHDS-HHHXNRCGSA-N 0 0 665.596 5.089 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260992784 571973502 /nfs/dbraw/zinc/97/35/02/571973502.db2.gz OBGISGRHWGWUKM-MGBGTMOVSA-N 0 0 741.694 6.969 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260992761 571973525 /nfs/dbraw/zinc/97/35/25/571973525.db2.gz OAUACFVJPNHCLG-MGBGTMOVSA-N 0 0 658.752 5.628 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225622645 571973572 /nfs/dbraw/zinc/97/35/72/571973572.db2.gz QQONZFBDDROAAI-UMSFTDKQSA-N 0 0 741.694 6.970 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F ZINC000225622901 571973643 /nfs/dbraw/zinc/97/36/43/571973643.db2.gz OVYLFPUNTJMJQH-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260994487 571975829 /nfs/dbraw/zinc/97/58/29/571975829.db2.gz OFYMNGSFJYFWNC-MGBGTMOVSA-N 0 0 640.762 5.489 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225624979 571976477 /nfs/dbraw/zinc/97/64/77/571976477.db2.gz VNCQSBLVILAXAR-HHHXNRCGSA-N 0 0 665.596 5.233 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260996139 571979049 /nfs/dbraw/zinc/97/90/49/571979049.db2.gz DKXPZBKYRBKOHJ-JKFCTSDTSA-N 0 0 690.794 5.801 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000225635535 571987343 /nfs/dbraw/zinc/98/73/43/571987343.db2.gz HVSOBZKGZCXMFZ-NSOVKSMOSA-N 0 0 540.649 5.399 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225639894 571991054 /nfs/dbraw/zinc/99/10/54/571991054.db2.gz CLGYYKWFWSDEAE-NSOVKSMOSA-N 0 0 541.633 5.868 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225653608 572000769 /nfs/dbraw/zinc/00/07/69/572000769.db2.gz ZHIGTMSJGNRRPK-SXOMAYOGSA-N 0 0 526.622 5.090 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225667074 572009947 /nfs/dbraw/zinc/00/99/47/572009947.db2.gz YJVXMZUQERLADI-NRFANRHFSA-N 0 0 665.596 5.603 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261016103 572014496 /nfs/dbraw/zinc/01/44/96/572014496.db2.gz VGZFTCCMIDHCDF-OAQYLSRUSA-N 0 0 631.151 5.093 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261022975 572023587 /nfs/dbraw/zinc/02/35/87/572023587.db2.gz VZEGITIOURZSEE-HSZRJFAPSA-N 0 0 640.734 5.112 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225692571 572026952 /nfs/dbraw/zinc/02/69/52/572026952.db2.gz NGCAWLXAJAGXKB-SVBPBHIXSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225697397 572029546 /nfs/dbraw/zinc/02/95/46/572029546.db2.gz HUEZVFMPVSBLAB-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261032015 572033638 /nfs/dbraw/zinc/03/36/38/572033638.db2.gz XEOFKMXCCBXXQM-UUWRZZSWSA-N 0 0 737.250 6.599 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225706526 572036643 /nfs/dbraw/zinc/03/66/43/572036643.db2.gz SJHMROCFIYMAGP-RBTNQOKQSA-N 0 0 679.623 6.136 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc21 ZINC000225712303 572041778 /nfs/dbraw/zinc/04/17/78/572041778.db2.gz HONBESXZGOZXLZ-XZWHSSHBSA-N 0 0 563.639 6.404 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261039542 572043148 /nfs/dbraw/zinc/04/31/48/572043148.db2.gz KGVLEDDVDANZSF-KMRXNPHXSA-N 0 0 649.597 5.531 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc21 ZINC000225716443 572044453 /nfs/dbraw/zinc/04/44/53/572044453.db2.gz WSKQHBQUTQBXDV-KYJUHHDHSA-N 0 0 563.639 6.404 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc21 ZINC000225716472 572044583 /nfs/dbraw/zinc/04/45/83/572044583.db2.gz WSKQHBQUTQBXDV-IHLOFXLRSA-N 0 0 563.639 6.404 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261041318 572044828 /nfs/dbraw/zinc/04/48/28/572044828.db2.gz ZFSJPUHEQYMIFR-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261041443 572045175 /nfs/dbraw/zinc/04/51/75/572045175.db2.gz KMWWUWWBCLASPR-IEWVHIKDSA-N 0 0 628.751 5.345 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261041448 572045235 /nfs/dbraw/zinc/04/52/35/572045235.db2.gz KMYOPAWMOJXCRX-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261045333 572050446 /nfs/dbraw/zinc/05/04/46/572050446.db2.gz LFKZJMXJDVJYMI-HPMVVLTCSA-N 0 0 725.239 6.454 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261058247 572061254 /nfs/dbraw/zinc/06/12/54/572061254.db2.gz NHPJVZXDPVIXEG-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261060347 572062187 /nfs/dbraw/zinc/06/21/87/572062187.db2.gz NOYSKQKFBGBICQ-UKJJDJLKSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261060414 572062716 /nfs/dbraw/zinc/06/27/16/572062716.db2.gz NSJFIZNBIJHXAB-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000261095819 572084275 /nfs/dbraw/zinc/08/42/75/572084275.db2.gz UZPVNVMKMJBRHF-JGCGQSQUSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261109026 572093969 /nfs/dbraw/zinc/09/39/69/572093969.db2.gz XNJMBJQLMWTBLH-IEWVHIKDSA-N 0 0 628.751 5.345 40 5 KKBBRN O=C(O[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000390822468 572155933 /nfs/dbraw/zinc/15/59/33/572155933.db2.gz ZIEJEWISHIZPNQ-LIKAHPKFSA-N 0 0 555.583 5.822 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000408527737 572161548 /nfs/dbraw/zinc/16/15/48/572161548.db2.gz HHGBRMQROXYVJS-DHUJRADRSA-N 0 0 648.741 7.469 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408548722 572229818 /nfs/dbraw/zinc/22/98/18/572229818.db2.gz TYKBHLIUYSANEC-UHFFFAOYSA-N 0 0 533.562 5.230 40 5 KKBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000408550155 572233445 /nfs/dbraw/zinc/23/34/45/572233445.db2.gz ALJXVJYXGOLECV-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408553807 572241256 /nfs/dbraw/zinc/24/12/56/572241256.db2.gz BYMKSWLELOOWMS-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc21 ZINC000408554752 572242092 /nfs/dbraw/zinc/24/20/92/572242092.db2.gz DBSORTITWGKTTF-UHFFFAOYSA-N 0 0 540.357 6.552 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408555016 572242570 /nfs/dbraw/zinc/24/25/70/572242570.db2.gz FLBHUSKDZAXKPI-HSZRJFAPSA-N 0 0 515.931 6.126 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1 ZINC000408555541 572243020 /nfs/dbraw/zinc/24/30/20/572243020.db2.gz HDLHPNBGJLFNOM-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN Cc1ccc(COc2c(Br)cc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000408556238 572243732 /nfs/dbraw/zinc/24/37/32/572243732.db2.gz JCRKEZPNMAINOS-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408557426 572244850 /nfs/dbraw/zinc/24/48/50/572244850.db2.gz NINPTQMHEKUASO-JOCHJYFZSA-N 0 0 627.800 6.341 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 ZINC000408558359 572245894 /nfs/dbraw/zinc/24/58/94/572245894.db2.gz UBTANSCLGVVPEY-UHFFFAOYSA-N 0 0 569.193 6.162 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563199 572249001 /nfs/dbraw/zinc/24/90/01/572249001.db2.gz AAUKIXHAHKGDMC-YDOVEJIGSA-N 0 0 542.419 5.493 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563295 572249080 /nfs/dbraw/zinc/24/90/80/572249080.db2.gz AEQLRBGFNFJSML-ATBUFXNFSA-N 0 0 592.490 5.790 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563416 572249220 /nfs/dbraw/zinc/24/92/20/572249220.db2.gz AJSSSZJSVGEXLK-LADVCJOISA-N 0 0 542.394 5.766 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563384 572249298 /nfs/dbraw/zinc/24/92/98/572249298.db2.gz AHHGCINZZXOTEL-ZVFGGPEJSA-N 0 0 578.463 5.400 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563422 572249303 /nfs/dbraw/zinc/24/93/03/572249303.db2.gz AJSSSZJSVGEXLK-UUNMANHLSA-N 0 0 542.394 5.766 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Br)cc1 ZINC000408564046 572250114 /nfs/dbraw/zinc/25/01/14/572250114.db2.gz XFYQNLDSHVJKQT-FLFQWRMESA-N 0 0 508.825 6.254 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563945 572250176 /nfs/dbraw/zinc/25/01/76/572250176.db2.gz BSKBDHALUBVRIJ-DNKZPPIMSA-N 0 0 631.321 5.711 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408564807 572251033 /nfs/dbraw/zinc/25/10/33/572251033.db2.gz AJHQWZQSTJMMTN-RUZDIDTESA-N 0 0 583.508 6.653 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408564844 572251103 /nfs/dbraw/zinc/25/11/03/572251103.db2.gz AOKLGLOMFXZHJR-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564951 572251176 /nfs/dbraw/zinc/25/11/76/572251176.db2.gz GTWVSJORXOCCFF-IPEONRORSA-N 0 0 570.415 5.088 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564929 572251194 /nfs/dbraw/zinc/25/11/94/572251194.db2.gz GMCTUMQBNQZORO-STNVRERYSA-N 0 0 542.419 5.493 40 5 KKBBRN Cc1ccc(COc2ccc([C@H]3C([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565009 572251445 /nfs/dbraw/zinc/25/14/45/572251445.db2.gz HCAQSLFQIVOPEH-IWEUKVTLSA-N 0 0 548.437 5.391 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408564975 572251523 /nfs/dbraw/zinc/25/15/23/572251523.db2.gz AVIOARJXYCAYBM-GDLZYMKVSA-N 0 0 556.644 6.435 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565088 572251839 /nfs/dbraw/zinc/25/18/39/572251839.db2.gz HQVREXIWAAZWFI-BQGAEBSMSA-N 0 0 633.326 6.398 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408565441 572252644 /nfs/dbraw/zinc/25/26/44/572252644.db2.gz BWUNTTKMBVSJSA-AREMUKBSSA-N 0 0 573.502 7.279 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565419 572252652 /nfs/dbraw/zinc/25/26/52/572252652.db2.gz KQFOKNTZAAFJTR-BBFXTFFKSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408565538 572252758 /nfs/dbraw/zinc/25/27/58/572252758.db2.gz CFQQCVMPYHBIKT-HHHXNRCGSA-N 0 0 518.639 6.199 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408565501 572252778 /nfs/dbraw/zinc/25/27/78/572252778.db2.gz CCDXDUJSAKVWKR-XMMPIXPASA-N 0 0 619.925 6.698 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408565499 572252809 /nfs/dbraw/zinc/25/28/09/572252809.db2.gz CCDXDUJSAKVWKR-DEOSSOPVSA-N 0 0 619.925 6.698 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000408565650 572252934 /nfs/dbraw/zinc/25/29/34/572252934.db2.gz CQWCZOXVEWYRKC-XMMPIXPASA-N 0 0 512.538 5.552 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565675 572253032 /nfs/dbraw/zinc/25/30/32/572253032.db2.gz LRILBXPHHMEHSC-SIJZCSJPSA-N 0 0 578.463 5.481 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565672 572253067 /nfs/dbraw/zinc/25/30/67/572253067.db2.gz LRILBXPHHMEHSC-OCAOGGMISA-N 0 0 578.463 5.481 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408565932 572253167 /nfs/dbraw/zinc/25/31/67/572253167.db2.gz DHKJGGFDXJJEFN-LJAQVGFWSA-N 0 0 540.645 6.735 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408565941 572253185 /nfs/dbraw/zinc/25/31/85/572253185.db2.gz DIZVYWSFRUOERW-RUZDIDTESA-N 0 0 573.046 6.465 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566080 572253499 /nfs/dbraw/zinc/25/34/99/572253499.db2.gz DUDTYBHWAIOSDY-QHCPKHFHSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566460 572253692 /nfs/dbraw/zinc/25/36/92/572253692.db2.gz OHUBQQSZSAXIBZ-OTGIWPJISA-N 0 0 586.870 5.602 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566435 572253703 /nfs/dbraw/zinc/25/37/03/572253703.db2.gz NYNLGKOHGTUJJM-OYMMJLNRSA-N 0 0 532.811 5.748 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408566566 572253714 /nfs/dbraw/zinc/25/37/14/572253714.db2.gz FPTXYVAECYUAGC-MUUNZHRXSA-N 0 0 589.515 7.489 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566455 572253754 /nfs/dbraw/zinc/25/37/54/572253754.db2.gz OHLYPPZXWRYHCY-BBFXTFFKSA-N 0 0 582.426 5.230 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566406 572253757 /nfs/dbraw/zinc/25/37/57/572253757.db2.gz NUBKWSFACZTSNB-HGMMTPDKSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566730 572253831 /nfs/dbraw/zinc/25/38/31/572253831.db2.gz OONRZHYQZMFTJQ-BQGAEBSMSA-N 0 0 582.426 5.230 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408566647 572253838 /nfs/dbraw/zinc/25/38/38/572253838.db2.gz FVUOIHMQVMQENR-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408566659 572253855 /nfs/dbraw/zinc/25/38/55/572253855.db2.gz FXMIFONCACJWIK-MHZLTWQESA-N 0 0 627.561 7.133 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566611 572253874 /nfs/dbraw/zinc/25/38/74/572253874.db2.gz FTARANYDIBVMEY-XMMPIXPASA-N 0 0 570.027 6.143 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566818 572254020 /nfs/dbraw/zinc/25/40/20/572254020.db2.gz OYWXSGZYCTZSON-SYUNVOKESA-N 0 0 614.496 6.244 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000408567067 572254046 /nfs/dbraw/zinc/25/40/46/572254046.db2.gz GGKOPYWAQLENCD-DEOSSOPVSA-N 0 0 543.020 6.456 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408567098 572254161 /nfs/dbraw/zinc/25/41/61/572254161.db2.gz PRACVQBCOJXTSN-LADVCJOISA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408567076 572254169 /nfs/dbraw/zinc/25/41/69/572254169.db2.gz GHTHOBDFPGCDNP-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567193 572254248 /nfs/dbraw/zinc/25/42/48/572254248.db2.gz QFSSJCVREVNINJ-ZVFGGPEJSA-N 0 0 647.353 6.788 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567250 572254290 /nfs/dbraw/zinc/25/42/90/572254290.db2.gz QNFPHUBHZDBAOU-NLRIEGLYSA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408567721 572254405 /nfs/dbraw/zinc/25/44/05/572254405.db2.gz HFFRSDIYXSHJOI-VWLOTQADSA-N 0 0 622.372 7.951 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000408567684 572254449 /nfs/dbraw/zinc/25/44/49/572254449.db2.gz HCRSNTRCAHFPPL-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000408567612 572254471 /nfs/dbraw/zinc/25/44/71/572254471.db2.gz GYORCFGJQQCPCV-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408567736 572254486 /nfs/dbraw/zinc/25/44/86/572254486.db2.gz HHKAMIPIZGAPSK-RUZDIDTESA-N 0 0 598.479 6.552 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567821 572254541 /nfs/dbraw/zinc/25/45/41/572254541.db2.gz RMOPCJFNFZEDKC-ZUIZJCIVSA-N 0 0 621.315 6.256 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567841 572254547 /nfs/dbraw/zinc/25/45/47/572254547.db2.gz RWTQFOJXPRQGPQ-YDOVEJIGSA-N 0 0 570.415 5.088 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408568064 572254550 /nfs/dbraw/zinc/25/45/50/572254550.db2.gz HMEGQPZKYKFBKQ-JOCHJYFZSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567820 572254610 /nfs/dbraw/zinc/25/46/10/572254610.db2.gz RMOPCJFNFZEDKC-VRKGNZAUSA-N 0 0 621.315 6.256 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568125 572254676 /nfs/dbraw/zinc/25/46/76/572254676.db2.gz HSYLVQWUYACAIR-XMMPIXPASA-N 0 0 593.920 7.624 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408568154 572254679 /nfs/dbraw/zinc/25/46/79/572254679.db2.gz HUHQJORCEXVKOA-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408568065 572254709 /nfs/dbraw/zinc/25/47/09/572254709.db2.gz HMEGQPZKYKFBKQ-QFIPXVFZSA-N 0 0 549.867 7.225 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000408568191 572254808 /nfs/dbraw/zinc/25/48/08/572254808.db2.gz HWCBVYOHASECDU-HSZRJFAPSA-N 0 0 591.434 6.314 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408568197 572254811 /nfs/dbraw/zinc/25/48/11/572254811.db2.gz HWIUDJVQGOZHSP-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408568236 572254818 /nfs/dbraw/zinc/25/48/18/572254818.db2.gz HZFUFUDMDJMHGI-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408568358 572254901 /nfs/dbraw/zinc/25/49/01/572254901.db2.gz TYULBJYLDBUPFK-YUHKXCSQSA-N 0 0 524.404 5.627 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568973 572255473 /nfs/dbraw/zinc/25/54/73/572255473.db2.gz VKWBWWDUBRLMOB-TUPPOGIXSA-N 0 0 524.404 5.627 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408569195 572255613 /nfs/dbraw/zinc/25/56/13/572255613.db2.gz JBVOKYFPIVXLJO-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408569581 572255750 /nfs/dbraw/zinc/25/57/50/572255750.db2.gz JRINZIGQPQNQFM-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569651 572255814 /nfs/dbraw/zinc/25/58/14/572255814.db2.gz WVAUIZVNECPLKQ-AWTIUKJOSA-N 0 0 507.949 5.113 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569698 572255818 /nfs/dbraw/zinc/25/58/18/572255818.db2.gz XBHZZJDLEQBYCL-GJECAEJISA-N 0 0 572.843 5.212 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569866 572256045 /nfs/dbraw/zinc/25/60/45/572256045.db2.gz JZSXIBCTRPQHGN-HSZRJFAPSA-N 0 0 591.434 6.314 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569868 572256053 /nfs/dbraw/zinc/25/60/53/572256053.db2.gz KAKXZJPCZBBAMC-RUZDIDTESA-N 0 0 509.031 6.535 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408569851 572256058 /nfs/dbraw/zinc/25/60/58/572256058.db2.gz JYWYZPJMLAQCOB-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408569913 572256078 /nfs/dbraw/zinc/25/60/78/572256078.db2.gz KGDRAEOIFWCWCU-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000408569870 572256089 /nfs/dbraw/zinc/25/60/89/572256089.db2.gz KALGBORFNRYDQQ-RUZDIDTESA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OCC)c2)cc1 ZINC000408570317 572256375 /nfs/dbraw/zinc/25/63/75/572256375.db2.gz KWXDNBCYCAIDLG-HXUWFJFHSA-N 0 0 537.436 5.254 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570299 572256388 /nfs/dbraw/zinc/25/63/88/572256388.db2.gz KVXGVPPFAIVKAO-HSZRJFAPSA-N 0 0 668.795 7.452 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408570567 572256420 /nfs/dbraw/zinc/25/64/20/572256420.db2.gz LJSVMDWUFJGCGP-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000408570282 572256432 /nfs/dbraw/zinc/25/64/32/572256432.db2.gz KSQQSXBKFAORCY-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000408570283 572256437 /nfs/dbraw/zinc/25/64/37/572256437.db2.gz KSQQSXBKFAORCY-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408570280 572256449 /nfs/dbraw/zinc/25/64/49/572256449.db2.gz KSCKKKJIFSDLMR-HSZRJFAPSA-N 0 0 559.873 6.681 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408570590 572256521 /nfs/dbraw/zinc/25/65/21/572256521.db2.gz LLSLMMLMSFNQCG-XMMPIXPASA-N 0 0 600.451 5.944 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408570709 572256541 /nfs/dbraw/zinc/25/65/41/572256541.db2.gz LYSYMONXPVMZCI-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408570645 572256550 /nfs/dbraw/zinc/25/65/50/572256550.db2.gz LSIHVNNDVGEYAM-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408570997 572256675 /nfs/dbraw/zinc/25/66/75/572256675.db2.gz MRJICTHRHUISFC-HSZRJFAPSA-N 0 0 560.419 6.480 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(C)c(C)c1 ZINC000408570990 572256704 /nfs/dbraw/zinc/25/67/04/572256704.db2.gz MPLMUCNDJIBUTL-GDLZYMKVSA-N 0 0 524.646 7.035 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000408571022 572256706 /nfs/dbraw/zinc/25/67/06/572256706.db2.gz MVKOQZUXGMIJQI-AREMUKBSSA-N 0 0 587.073 6.855 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408571086 572256829 /nfs/dbraw/zinc/25/68/29/572256829.db2.gz NKUFJHVUVQIXMV-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571092 572256856 /nfs/dbraw/zinc/25/68/56/572256856.db2.gz NLJBWNXBFCBXAN-VWLOTQADSA-N 0 0 519.583 5.790 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408571302 572256964 /nfs/dbraw/zinc/25/69/64/572256964.db2.gz OHRHREQIVVQEAN-RUZDIDTESA-N 0 0 668.397 7.741 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408571401 572257033 /nfs/dbraw/zinc/25/70/33/572257033.db2.gz OQBZVUWAFZOWHR-RUZDIDTESA-N 0 0 569.481 6.426 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408571406 572257046 /nfs/dbraw/zinc/25/70/46/572257046.db2.gz OQGVPJJTGABQSB-DEOSSOPVSA-N 0 0 682.822 7.842 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000408571660 572257258 /nfs/dbraw/zinc/25/72/58/572257258.db2.gz PLCYUNJEELJJIN-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408571859 572257325 /nfs/dbraw/zinc/25/73/25/572257325.db2.gz PSPVBXPVCMTFIB-MHZLTWQESA-N 0 0 611.562 7.351 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571916 572257428 /nfs/dbraw/zinc/25/74/28/572257428.db2.gz PWDZBVSOUUOCNL-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408571950 572257437 /nfs/dbraw/zinc/25/74/37/572257437.db2.gz QBFDUKTXBSVHNL-VWLOTQADSA-N 0 0 601.498 6.792 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F ZINC000408571967 572257453 /nfs/dbraw/zinc/25/74/53/572257453.db2.gz QCPHVARTCPIWCJ-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408571948 572257465 /nfs/dbraw/zinc/25/74/65/572257465.db2.gz QAYDFWJNOBFBMM-VWLOTQADSA-N 0 0 569.481 6.426 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000408572009 572257491 /nfs/dbraw/zinc/25/74/91/572257491.db2.gz QJMNTXVKMTZVOY-DEOSSOPVSA-N 0 0 587.471 6.565 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408571903 572257502 /nfs/dbraw/zinc/25/75/02/572257502.db2.gz PUYKICQUMBMBAK-RUZDIDTESA-N 0 0 617.953 7.306 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000408572011 572257553 /nfs/dbraw/zinc/25/75/53/572257553.db2.gz QJMNTXVKMTZVOY-XMMPIXPASA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 ZINC000408572030 572257560 /nfs/dbraw/zinc/25/75/60/572257560.db2.gz QLEOVHQQAFJSKM-HSZRJFAPSA-N 0 0 604.870 6.589 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408572041 572257577 /nfs/dbraw/zinc/25/75/77/572257577.db2.gz QMRVHLASJMXQRW-HSZRJFAPSA-N 0 0 546.983 6.205 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408572201 572257690 /nfs/dbraw/zinc/25/76/90/572257690.db2.gz QUOMYVIYAPWXGI-PMERELPUSA-N 0 0 570.671 6.825 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408572191 572257691 /nfs/dbraw/zinc/25/76/91/572257691.db2.gz QTEHEDVPHWPSBX-QFIPXVFZSA-N 0 0 567.857 7.364 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408572380 572257834 /nfs/dbraw/zinc/25/78/34/572257834.db2.gz QZVPUUMFRBIBMW-HXUWFJFHSA-N 0 0 515.791 6.580 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408572602 572257852 /nfs/dbraw/zinc/25/78/52/572257852.db2.gz RKXOVVLKHMQZFH-XMMPIXPASA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408572604 572257909 /nfs/dbraw/zinc/25/79/09/572257909.db2.gz RLTJKKUDQMDHCV-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 ZINC000408572642 572257965 /nfs/dbraw/zinc/25/79/65/572257965.db2.gz RPIZQXKZYDEEOU-MHZLTWQESA-N 0 0 536.629 6.419 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408572670 572258050 /nfs/dbraw/zinc/25/80/50/572258050.db2.gz RRYJBXQLRMPNJK-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F ZINC000408572759 572258099 /nfs/dbraw/zinc/25/80/99/572258099.db2.gz RYPXVBGUZRNCSP-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408573550 572258917 /nfs/dbraw/zinc/25/89/17/572258917.db2.gz TUUAWPCRAKRDKK-QHCPKHFHSA-N 0 0 652.340 6.938 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 ZINC000408573539 572258965 /nfs/dbraw/zinc/25/89/65/572258965.db2.gz TUPGUDVNGLOISD-AREMUKBSSA-N 0 0 522.602 6.029 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408573667 572259069 /nfs/dbraw/zinc/25/90/69/572259069.db2.gz UAWADTHXVBJLIK-HHHXNRCGSA-N 0 0 609.933 7.834 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408573684 572259083 /nfs/dbraw/zinc/25/90/83/572259083.db2.gz UBJSQRBQMIYEFH-SANMLTNESA-N 0 0 573.502 7.279 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408573663 572259101 /nfs/dbraw/zinc/25/91/01/572259101.db2.gz UAJGJTOTQLACBE-RUZDIDTESA-N 0 0 583.508 6.653 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408573934 572259186 /nfs/dbraw/zinc/25/91/86/572259186.db2.gz UEKSLWBYQNFUOR-VWLOTQADSA-N 0 0 524.574 5.421 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OCC)c2)cc1 ZINC000408574032 572259282 /nfs/dbraw/zinc/25/92/82/572259282.db2.gz UKXUSOXHDFVBQY-WJOKGBTCSA-N 0 0 584.698 7.215 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000408574075 572259286 /nfs/dbraw/zinc/25/92/86/572259286.db2.gz UOTFQMIZXNLZBX-AREMUKBSSA-N 0 0 647.979 7.478 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 ZINC000408575058 572260194 /nfs/dbraw/zinc/26/01/94/572260194.db2.gz VUVOUAHRJULMHH-RUZDIDTESA-N 0 0 614.478 6.334 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408575427 572260476 /nfs/dbraw/zinc/26/04/76/572260476.db2.gz WFQPOPJZUIMWOB-AREMUKBSSA-N 0 0 567.509 6.953 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575512 572260512 /nfs/dbraw/zinc/26/05/12/572260512.db2.gz WLNGCWBVDZJVDZ-HHHXNRCGSA-N 0 0 587.529 7.587 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1cccc(C)c1 ZINC000408575421 572260526 /nfs/dbraw/zinc/26/05/26/572260526.db2.gz WEYBCLGGULBRDX-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(F)cc1 ZINC000408575558 572260564 /nfs/dbraw/zinc/26/05/64/572260564.db2.gz WMXPXRUWUXMVJD-QHCPKHFHSA-N 0 0 509.519 5.312 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(F)cc1 ZINC000408575556 572260612 /nfs/dbraw/zinc/26/06/12/572260612.db2.gz WMXPXRUWUXMVJD-HSZRJFAPSA-N 0 0 509.519 5.312 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408575924 572260873 /nfs/dbraw/zinc/26/08/73/572260873.db2.gz XASPPWYNIYVDFT-MHZLTWQESA-N 0 0 552.628 6.201 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000408576047 572260958 /nfs/dbraw/zinc/26/09/58/572260958.db2.gz XGJJHGQKNAACKC-SANMLTNESA-N 0 0 504.612 5.890 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408576105 572261026 /nfs/dbraw/zinc/26/10/26/572261026.db2.gz XHYKNIFCLHRPKD-HSZRJFAPSA-N 0 0 525.974 5.826 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408576647 572261319 /nfs/dbraw/zinc/26/13/19/572261319.db2.gz XZGJZBNWAWJXKQ-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408576563 572261353 /nfs/dbraw/zinc/26/13/53/572261353.db2.gz XSEHVYUXXDJSHO-VWLOTQADSA-N 0 0 587.927 7.298 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408577157 572261771 /nfs/dbraw/zinc/26/17/71/572261771.db2.gz YPOYDZHWVNBALY-VWLOTQADSA-N 0 0 577.465 7.109 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408577452 572261986 /nfs/dbraw/zinc/26/19/86/572261986.db2.gz ZNRSCBRLFZFOAU-AREMUKBSSA-N 0 0 613.534 6.743 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408577411 572261995 /nfs/dbraw/zinc/26/19/95/572261995.db2.gz ZJFQHTKEBGJOHE-XMMPIXPASA-N 0 0 603.470 6.184 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408577790 572262410 /nfs/dbraw/zinc/26/24/10/572262410.db2.gz ZWQWDHRIRFIHQV-VWLOTQADSA-N 0 0 584.054 6.452 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408577795 572262427 /nfs/dbraw/zinc/26/24/27/572262427.db2.gz ZXPIJWQWWHNXEF-HKBQPEDESA-N 0 0 568.699 7.434 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccccc1 ZINC000408577816 572262440 /nfs/dbraw/zinc/26/24/40/572262440.db2.gz ZZWMBMSIMIVYTI-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000408581601 572264450 /nfs/dbraw/zinc/26/44/50/572264450.db2.gz JJZBRTBYACLPDI-UHFFFAOYSA-N 0 0 615.307 6.678 40 5 KKBBRN O=Cc1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000408584671 572265834 /nfs/dbraw/zinc/26/58/34/572265834.db2.gz SUTZREIFGYHQFC-UHFFFAOYSA-N 0 0 572.238 6.603 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000408585251 572266012 /nfs/dbraw/zinc/26/60/12/572266012.db2.gz YCYGNPBCCYZJGK-UHFFFAOYSA-N 0 0 631.306 6.378 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408585815 572266115 /nfs/dbraw/zinc/26/61/15/572266115.db2.gz JACNKSVALIJWNL-UHFFFAOYSA-N 0 0 542.828 5.693 40 5 KKBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408592889 572268850 /nfs/dbraw/zinc/26/88/50/572268850.db2.gz OZEFKTCSAWAJQW-UHFFFAOYSA-N 0 0 543.907 5.394 40 5 KKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408603256 572273579 /nfs/dbraw/zinc/27/35/79/572273579.db2.gz BRYFRKVEHXSJMD-UHFFFAOYSA-N 0 0 540.729 6.861 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604029 572273830 /nfs/dbraw/zinc/27/38/30/572273830.db2.gz CSNYYPPCFUOPOF-UHFFFAOYSA-N 0 0 526.214 7.254 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408605672 572274527 /nfs/dbraw/zinc/27/45/27/572274527.db2.gz GJOCAOOGHVQIET-UHFFFAOYSA-N 0 0 518.351 6.098 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000408608001 572275276 /nfs/dbraw/zinc/27/52/76/572275276.db2.gz LMSQCGGRJYBJJN-UHFFFAOYSA-N 0 0 504.768 5.949 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000408609897 572275972 /nfs/dbraw/zinc/27/59/72/572275972.db2.gz PIJZBNWGDQLSGI-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408610617 572276189 /nfs/dbraw/zinc/27/61/89/572276189.db2.gz QRABYRKXQMDIRE-UHFFFAOYSA-N 0 0 535.294 5.307 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1 ZINC000408612177 572276762 /nfs/dbraw/zinc/27/67/62/572276762.db2.gz UTTZSCIGKUAVHE-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000408613064 572277089 /nfs/dbraw/zinc/27/70/89/572277089.db2.gz XEDKGYHNBRUMFT-UHFFFAOYSA-N 0 0 547.349 5.146 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408613053 572277163 /nfs/dbraw/zinc/27/71/63/572277163.db2.gz WYHDVMBYEZWEIE-UHFFFAOYSA-N 0 0 504.370 6.238 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408613691 572277326 /nfs/dbraw/zinc/27/73/26/572277326.db2.gz ZJJYPCUBIJXUCP-UHFFFAOYSA-N 0 0 507.384 7.100 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl ZINC000408613720 572277327 /nfs/dbraw/zinc/27/73/27/572277327.db2.gz ZQQPWQADSQKPCT-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408622408 572282003 /nfs/dbraw/zinc/28/20/03/572282003.db2.gz PFUXXAFWUHFRKG-LMHXZZLNSA-N 0 0 588.639 5.658 40 5 KKBBRN COc1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000408625637 572283472 /nfs/dbraw/zinc/28/34/72/572283472.db2.gz VTHBQLPHBFWMCG-UHFFFAOYSA-N 0 0 584.434 5.070 40 5 KKBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408635508 572292575 /nfs/dbraw/zinc/29/25/75/572292575.db2.gz CPLGFKCEOHCXBF-UHFFFAOYSA-N 0 0 510.355 5.028 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408637763 572294608 /nfs/dbraw/zinc/29/46/08/572294608.db2.gz BBYBZIKNEYYIMJ-IAIFEWERSA-N 0 0 576.005 5.702 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408637766 572294621 /nfs/dbraw/zinc/29/46/21/572294621.db2.gz BBYBZIKNEYYIMJ-YKQNXRHISA-N 0 0 576.005 5.702 40 5 KKBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408638188 572295000 /nfs/dbraw/zinc/29/50/00/572295000.db2.gz BSGASUKDTLOTFX-MRXNPFEDSA-N 0 0 510.344 5.450 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639317 572295718 /nfs/dbraw/zinc/29/57/18/572295718.db2.gz FNIRWUIYZDQOSZ-UHFFFAOYSA-N 0 0 721.720 7.617 40 5 KKBBRN CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639737 572296004 /nfs/dbraw/zinc/29/60/04/572296004.db2.gz YLFYBEWUQZCYFK-QHCPKHFHSA-N 0 0 574.586 5.513 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000408639913 572296155 /nfs/dbraw/zinc/29/61/55/572296155.db2.gz GSCLYKBXEVPMOA-UHFFFAOYSA-N 0 0 532.723 5.091 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639844 572296162 /nfs/dbraw/zinc/29/61/62/572296162.db2.gz GJSLOTQVENNLCT-UHFFFAOYSA-N 0 0 933.969 8.707 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408640078 572296265 /nfs/dbraw/zinc/29/62/65/572296265.db2.gz HESJYUXJONBFAS-IZZNHLLZSA-N 0 0 601.999 5.049 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408640808 572296643 /nfs/dbraw/zinc/29/66/43/572296643.db2.gz IVFZSUJLKSXOMQ-UHFFFAOYSA-N 0 0 612.165 5.653 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408640838 572296702 /nfs/dbraw/zinc/29/67/02/572296702.db2.gz IZTGHCUOSUKSEG-GAZXMLTASA-N 0 0 610.450 6.355 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 ZINC000408641640 572297185 /nfs/dbraw/zinc/29/71/85/572297185.db2.gz KSUXYOYHVIYECQ-UHFFFAOYSA-N 0 0 648.411 5.666 40 5 KKBBRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 ZINC000408641955 572297364 /nfs/dbraw/zinc/29/73/64/572297364.db2.gz DMGBPOOKKGLFKJ-DEOSSOPVSA-N 0 0 578.621 6.492 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408642333 572297683 /nfs/dbraw/zinc/29/76/83/572297683.db2.gz MWCLSTHMPSRGPP-DHIUTWEWSA-N 0 0 561.978 5.456 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl ZINC000408642667 572297852 /nfs/dbraw/zinc/29/78/52/572297852.db2.gz NRZYPCKANNBDHD-UHFFFAOYSA-N 0 0 567.168 5.745 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408642770 572297920 /nfs/dbraw/zinc/29/79/20/572297920.db2.gz FDZQEZVMFJDHOY-RAWLKHAVSA-N 0 0 592.007 5.381 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408642768 572297922 /nfs/dbraw/zinc/29/79/22/572297922.db2.gz FDZQEZVMFJDHOY-QYVRTBTHSA-N 0 0 592.007 5.381 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 ZINC000408643110 572298050 /nfs/dbraw/zinc/29/80/50/572298050.db2.gz OSSRMBFKZFHWCV-UHFFFAOYSA-N 0 0 577.174 5.200 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000408643131 572298093 /nfs/dbraw/zinc/29/80/93/572298093.db2.gz OVHOEVVXNIBVKJ-UHFFFAOYSA-N 0 0 526.332 5.055 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408643369 572298137 /nfs/dbraw/zinc/29/81/37/572298137.db2.gz PGSOUMQTAJGSCN-ZCYQVOJMSA-N 0 0 601.999 5.049 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2)cc1 ZINC000408643330 572298175 /nfs/dbraw/zinc/29/81/75/572298175.db2.gz PEXSMGLPXOUQOS-UHFFFAOYSA-N 0 0 879.106 7.709 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643881 572298417 /nfs/dbraw/zinc/29/84/17/572298417.db2.gz GPFPOTWHAZYVLY-GOTSBHOMSA-N 0 0 594.407 5.885 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643931 572298422 /nfs/dbraw/zinc/29/84/22/572298422.db2.gz QGRCWHBLEPXXBC-ZRZAMGCNSA-N 0 0 596.423 6.109 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408644319 572298575 /nfs/dbraw/zinc/29/85/75/572298575.db2.gz QXYGOPKGDQZTKS-FTJBHMTQSA-N 0 0 573.989 5.622 40 5 KKBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408644639 572298789 /nfs/dbraw/zinc/29/87/89/572298789.db2.gz HDKCMSSGHBWARV-ADCSMLMYSA-N 0 0 646.450 5.014 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408644585 572298837 /nfs/dbraw/zinc/29/88/37/572298837.db2.gz GXADIEZYQIFBDW-UHFFFAOYSA-N 0 0 533.540 6.185 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408645515 572299265 /nfs/dbraw/zinc/29/92/65/572299265.db2.gz SKCMQDMQTOPFTM-UHFFFAOYSA-N 0 0 756.165 8.271 40 5 KKBBRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C ZINC000408645893 572299528 /nfs/dbraw/zinc/29/95/28/572299528.db2.gz NGVLVBCVVZCPKI-UHFFFAOYSA-N 0 0 519.554 5.603 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccccc1 ZINC000408647861 572300732 /nfs/dbraw/zinc/30/07/32/572300732.db2.gz VUGADHSJVXOOFJ-UHFFFAOYSA-N 0 0 567.168 5.745 40 5 KKBBRN 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Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)o1 ZINC000408794685 1069927332 /nfs/dbraw/zinc/92/73/32/1069927332.db2.gz ATVOQZLQQDXTLQ-UHKUATGWSA-N 0 0 502.616 7.217 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)o1 ZINC000408813701 1069979099 /nfs/dbraw/zinc/97/90/99/1069979099.db2.gz OSOFHIMYGUOCPM-TUCCYDMFSA-N 0 0 502.616 7.217 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408823399 1069987609 /nfs/dbraw/zinc/98/76/09/1069987609.db2.gz DEKQVHLKBOOUPL-ZFWDJNJRSA-N 0 0 747.849 6.464 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823293 1069987621 /nfs/dbraw/zinc/98/76/21/1069987621.db2.gz DSBAYZOHTLHQDM-MIUGUJGPSA-N 0 0 818.484 6.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821902 1070000172 /nfs/dbraw/zinc/00/01/72/1070000172.db2.gz AHDLDHCZUJZYFN-RISWYLRJSA-N 0 0 668.953 5.701 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408825514 1070013211 /nfs/dbraw/zinc/01/32/11/1070013211.db2.gz CUTKAZTXIDUGRI-CTHKJOMYSA-N 0 0 641.677 6.048 40 5 KKBBRN COc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408833737 1070031529 /nfs/dbraw/zinc/03/15/29/1070031529.db2.gz UTOCOQBXSDXBGO-UHFFFAOYSA-N 0 0 507.571 7.313 40 5 KKBBRN COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 ZINC000408839306 1070040986 /nfs/dbraw/zinc/04/09/86/1070040986.db2.gz QLLMEQKUOFNNQG-UHFFFAOYSA-N 0 0 521.938 5.372 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408839478 1070041246 /nfs/dbraw/zinc/04/12/46/1070041246.db2.gz SXVLSJSZRRAXQM-GIJQJNRQSA-N 0 0 718.390 9.056 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1sc2cc(Cl)ccc2c1Cl ZINC000408838057 1070047453 /nfs/dbraw/zinc/04/74/53/1070047453.db2.gz BTGSVYPODGOHLH-WOJGMQOQSA-N 0 0 539.352 6.680 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408851522 1070066277 /nfs/dbraw/zinc/06/62/77/1070066277.db2.gz KWQISMMMZIOENO-SJXDCSIJSA-N 0 0 692.588 5.835 40 5 KKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccccc4OC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1 ZINC000408849661 1070062769 /nfs/dbraw/zinc/06/27/69/1070062769.db2.gz ZUQYECLTNHCNTH-CPNJWEJPSA-N 0 0 518.934 6.335 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408859964 1070076649 /nfs/dbraw/zinc/07/66/49/1070076649.db2.gz WFXWDOMARAHEQT-TZUCAZQYSA-N 0 0 674.688 5.203 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000408865786 1070084395 /nfs/dbraw/zinc/08/43/95/1070084395.db2.gz FQEFUZQOMBKEFU-JAIQZWGSSA-N 0 0 547.467 5.557 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408908440 1070194064 /nfs/dbraw/zinc/19/40/64/1070194064.db2.gz DYJODBKIJMKPMP-GWXNNEATSA-N 0 0 691.762 5.830 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408915587 1070216729 /nfs/dbraw/zinc/21/67/29/1070216729.db2.gz QDBIHTZETGFOOI-SWBDNCPRSA-N 0 0 726.207 6.484 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408916473 1070220132 /nfs/dbraw/zinc/22/01/32/1070220132.db2.gz CVGNVLIWWZSWBR-YDZHTSKRSA-N 0 0 521.507 5.327 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916764 1070221732 /nfs/dbraw/zinc/22/17/32/1070221732.db2.gz HCKZKCVJUZCXJY-SSDVNMTOSA-N 0 0 594.270 7.480 40 5 KKBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408920390 1070225849 /nfs/dbraw/zinc/22/58/49/1070225849.db2.gz FVJHRRQBGDJEOG-ZXVVBBHZSA-N 0 0 527.602 6.192 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n32)cc1OCC ZINC000408933615 1070266247 /nfs/dbraw/zinc/26/62/47/1070266247.db2.gz BONPWLVIYATYIA-URPLVSFPSA-N 0 0 665.724 5.456 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc6ccccc65)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408939864 1070284220 /nfs/dbraw/zinc/28/42/20/1070284220.db2.gz IOVZOIKXORXYJL-CSJGQJTISA-N 0 0 744.620 6.218 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939908 1070284421 /nfs/dbraw/zinc/28/44/21/1070284421.db2.gz NIRZXWXPUJHHSJ-USDTVRPUSA-N 0 0 692.588 5.835 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937511 1070291493 /nfs/dbraw/zinc/29/14/93/1070291493.db2.gz JOOLDGNYMRDPLV-GSTVVXAASA-N 0 0 657.745 5.471 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944977 1070298522 /nfs/dbraw/zinc/29/85/22/1070298522.db2.gz WEOBEUUPKORKRE-QUNTYYFUSA-N 0 0 727.033 6.489 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 ZINC000408977869 1070338081 /nfs/dbraw/zinc/33/80/81/1070338081.db2.gz KIEMJXMAPKWUSM-UNDLXJOSSA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408979406 1070343974 /nfs/dbraw/zinc/34/39/74/1070343974.db2.gz CJJJQRFFECFGAX-OXTLUBNBSA-N 0 0 708.974 6.544 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Br)c1 ZINC000408989571 1070354315 /nfs/dbraw/zinc/35/43/15/1070354315.db2.gz IGWRMYZKSHAHDV-MKOZVTOYSA-N 0 0 745.658 6.960 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408996076 1070365318 /nfs/dbraw/zinc/36/53/18/1070365318.db2.gz NXWSVOLQKMWCEZ-PLNPHXOGSA-N 0 0 677.760 5.785 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994867 1070371712 /nfs/dbraw/zinc/37/17/12/1070371712.db2.gz HJYOQTHPCOBSIK-JBVGNYNVSA-N 0 0 693.803 6.153 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030623 1070413838 /nfs/dbraw/zinc/41/38/38/1070413838.db2.gz GUBZNJHQKDHXOR-QQMBNGEASA-N 0 0 643.718 5.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032212 1070419080 /nfs/dbraw/zinc/41/90/80/1070419080.db2.gz LQOKEMSSNQLKHY-GWRYVSOYSA-N 0 0 712.608 6.388 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409034562 1070432895 /nfs/dbraw/zinc/43/28/95/1070432895.db2.gz HMKPRKIGMUTFDL-QTTRZTASSA-N 0 0 608.072 5.409 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)sc2=N1 ZINC000409039721 1070432117 /nfs/dbraw/zinc/43/21/17/1070432117.db2.gz RXWQQPVRVKPXMK-QJWUKVPRSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042744 1070447514 /nfs/dbraw/zinc/44/75/14/1070447514.db2.gz XPHFSHNGKWXDLK-IVRZUQNJSA-N 0 0 801.068 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043707 1070449454 /nfs/dbraw/zinc/44/94/54/1070449454.db2.gz ZESJABIVCACWOL-CVXNTFFOSA-N 0 0 791.504 7.151 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 ZINC000409085834 1070512456 /nfs/dbraw/zinc/51/24/56/1070512456.db2.gz SNLIHMDXYPRSKS-NULZLWRNSA-N 0 0 671.529 5.813 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094389 1070518193 /nfs/dbraw/zinc/51/81/93/1070518193.db2.gz DYNARRJPWHZXLB-UFFVCSGVSA-N 0 0 556.344 5.177 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409165497 1070583737 /nfs/dbraw/zinc/58/37/37/1070583737.db2.gz YSJBWTLBTCFDBN-HAHDFKILSA-N 0 0 583.022 5.671 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409168030 1070585709 /nfs/dbraw/zinc/58/57/09/1070585709.db2.gz KRZRWPDRYGRHLP-DHRITJCHSA-N 0 0 615.586 7.096 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409173125 1070588962 /nfs/dbraw/zinc/58/89/62/1070588962.db2.gz KHVXFTSCQCSYNQ-RGVLZGJSSA-N 0 0 605.772 5.538 40 5 KKBBRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178774 1070594210 /nfs/dbraw/zinc/59/42/10/1070594210.db2.gz NGVLMAIUXAZWJG-UHFFFAOYSA-N 0 0 558.930 6.207 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409178304 1070593547 /nfs/dbraw/zinc/59/35/47/1070593547.db2.gz GKKQCGYQQJIEGP-AUEPDCJTSA-N 0 0 598.977 5.941 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409181918 1070599645 /nfs/dbraw/zinc/59/96/45/1070599645.db2.gz GSGDJGDAEQAKKK-NDEPHWFRSA-N 0 0 579.392 6.700 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)cc1 ZINC000409180114 1070597545 /nfs/dbraw/zinc/59/75/45/1070597545.db2.gz PGYSHYSQXWSRFG-UHFFFAOYSA-N 0 0 556.483 5.863 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409193212 1070611370 /nfs/dbraw/zinc/61/13/70/1070611370.db2.gz FMRYNQJCOGQBPQ-LPYMAVHISA-N 0 0 507.524 5.237 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409189487 1070620788 /nfs/dbraw/zinc/62/07/88/1070620788.db2.gz PPIAYBNSGVPVAI-ODLFYWEKSA-N 0 0 557.740 5.583 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409206577 1070621662 /nfs/dbraw/zinc/62/16/62/1070621662.db2.gz XINBIPYBNFIJBK-JMIUGGIZSA-N 0 0 549.399 5.172 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203149 1070627923 /nfs/dbraw/zinc/62/79/23/1070627923.db2.gz WLFDTRGXNAKJFM-UHFFFAOYSA-N 0 0 526.214 7.254 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409216869 1070640284 /nfs/dbraw/zinc/64/02/84/1070640284.db2.gz PDSZROZQHUAYII-WSDLNYQXSA-N 0 0 545.400 7.120 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409219177 1070641674 /nfs/dbraw/zinc/64/16/74/1070641674.db2.gz KDNJRCHXDBRTKX-JJFYIABZSA-N 0 0 541.944 5.641 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccccc1 ZINC000409225053 1070643058 /nfs/dbraw/zinc/64/30/58/1070643058.db2.gz OEABZUFSMWQOED-WSDLNYQXSA-N 0 0 505.464 5.215 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230448 1070656233 /nfs/dbraw/zinc/65/62/33/1070656233.db2.gz DJYQTTNCNWIBHB-SSDVNMTOSA-N 0 0 552.381 5.346 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409240359 1070655434 /nfs/dbraw/zinc/65/54/34/1070655434.db2.gz SWGAKXCKLNUDLO-FBCYGCLPSA-N 0 0 509.754 7.052 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc(F)c1 ZINC000409250469 1070667021 /nfs/dbraw/zinc/66/70/21/1070667021.db2.gz MAMYHQONCRBPJR-WYMPLXKRSA-N 0 0 530.537 5.412 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409255999 1070675373 /nfs/dbraw/zinc/67/53/73/1070675373.db2.gz NEOMAWSSRNIJIA-OEAKJJBVSA-N 0 0 618.506 5.630 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409265261 1070688325 /nfs/dbraw/zinc/68/83/25/1070688325.db2.gz UBNUZCQAEWICJB-QRVIBDJDSA-N 0 0 645.431 5.462 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409269227 1070703152 /nfs/dbraw/zinc/70/31/52/1070703152.db2.gz HILPZABVYISIJL-WYMPLXKRSA-N 0 0 569.542 5.526 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269460 1070703731 /nfs/dbraw/zinc/70/37/31/1070703731.db2.gz BWTYRWUAUNBJTI-UUYOSTAYSA-N 0 0 555.977 6.227 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000409269286 1070703873 /nfs/dbraw/zinc/70/38/73/1070703873.db2.gz ARBHQMATEAQZNQ-AFUMVMLFSA-N 0 0 570.539 6.124 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271719 1070708892 /nfs/dbraw/zinc/70/88/92/1070708892.db2.gz LIGVATLDOFWSCE-FOKLQQMPSA-N 0 0 543.384 6.400 40 5 KKBBRN CCCOc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409274450 1070715465 /nfs/dbraw/zinc/71/54/65/1070715465.db2.gz DBQRGPNMQMCUIV-YBFXNURJSA-N 0 0 505.346 5.065 40 5 KKBBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000408878277 1070801421 /nfs/dbraw/zinc/80/14/21/1070801421.db2.gz ZKDNPHLJIVWOBI-KSEXSDGBSA-N 0 0 743.454 6.489 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328287 1070830053 /nfs/dbraw/zinc/83/00/53/1070830053.db2.gz RIDGXWIEXJLURP-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409338565 1070861261 /nfs/dbraw/zinc/86/12/61/1070861261.db2.gz MERFUHHOQLPRCU-YDZHTSKRSA-N 0 0 505.552 5.962 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409350718 1070868673 /nfs/dbraw/zinc/86/86/73/1070868673.db2.gz SARJTTXEZBVGMO-XDYZZPCYSA-N 0 0 775.621 6.360 40 5 KKBBRN O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409384088 1070901215 /nfs/dbraw/zinc/90/12/15/1070901215.db2.gz AIDKBXRBEAVUKU-UUYOSTAYSA-N 0 0 541.944 5.641 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409384494 1070901849 /nfs/dbraw/zinc/90/18/49/1070901849.db2.gz CRUTZSUWFDPMQE-SRZZPIQSSA-N 0 0 573.377 5.552 40 5 KKBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408903787 1070902036 /nfs/dbraw/zinc/90/20/36/1070902036.db2.gz ZAZQBGNAJNZXMZ-FMCGGJTJSA-N 0 0 552.406 5.105 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)sc2nc3ccccc3n12 ZINC000408902408 1070911220 /nfs/dbraw/zinc/91/12/20/1070911220.db2.gz IPHFXANXUJHNLS-JAIQZWGSSA-N 0 0 634.249 5.311 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917250 1070993618 /nfs/dbraw/zinc/99/36/18/1070993618.db2.gz PUTCLEZDIXOQPF-AFUMVMLFSA-N 0 0 654.336 8.089 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408914457 1071013289 /nfs/dbraw/zinc/01/32/89/1071013289.db2.gz NZBZNUMOKZCSQQ-CWJUKMOQSA-N 0 0 875.504 6.694 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408910789 1071066070 /nfs/dbraw/zinc/06/60/70/1071066070.db2.gz KWDUXHIMVVWABE-XNMXCUJWSA-N 0 0 679.751 5.846 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408926409 1071073211 /nfs/dbraw/zinc/07/32/11/1071073211.db2.gz NGGUTZCFPOXZQZ-FVUNBJOLSA-N 0 0 682.755 5.044 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408924800 1071080672 /nfs/dbraw/zinc/08/06/72/1071080672.db2.gz RGFKGOKZZSMYSX-OIUASMPBSA-N 0 0 638.771 5.820 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408924844 1071081299 /nfs/dbraw/zinc/08/12/99/1071081299.db2.gz RLGGEIGEUWYOHA-UPWSPCOFSA-N 0 0 603.722 5.694 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408922300 1071091265 /nfs/dbraw/zinc/09/12/65/1071091265.db2.gz DBNKMKBIKFBKMZ-DDIUQFJASA-N 0 0 622.703 5.027 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1 ZINC000408921740 1071094016 /nfs/dbraw/zinc/09/40/16/1071094016.db2.gz WKINJPTWVSSXAV-ZXVVBBHZSA-N 0 0 529.574 5.584 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408921219 1071097586 /nfs/dbraw/zinc/09/75/86/1071097586.db2.gz MKJASWGGHRXXAJ-OBDCIHEFSA-N 0 0 645.759 5.405 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408920525 1071102848 /nfs/dbraw/zinc/10/28/48/1071102848.db2.gz JRGXTQOGUHTCNC-DDIUQFJASA-N 0 0 659.786 5.795 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000408920077 1071108190 /nfs/dbraw/zinc/10/81/90/1071108190.db2.gz GWIJSAOJWONLBW-SUAMDDGLSA-N 0 0 605.694 5.086 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408919224 1071121446 /nfs/dbraw/zinc/12/14/46/1071121446.db2.gz UZKRASNYYGYUDN-ZRDDSIGQSA-N 0 0 509.743 5.104 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408919430 1071120695 /nfs/dbraw/zinc/12/06/95/1071120695.db2.gz XSNSWEAVLYOAIR-WXKAHTKJSA-N 0 0 649.725 5.837 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919451 1071120767 /nfs/dbraw/zinc/12/07/67/1071120767.db2.gz YBNCHQXIWLSUFG-ZRDDSIGQSA-N 0 0 509.743 5.151 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408918692 1071131436 /nfs/dbraw/zinc/13/14/36/1071131436.db2.gz NUSIQGWGIZBVSE-DDIUQFJASA-N 0 0 714.594 6.210 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917887 1071140446 /nfs/dbraw/zinc/14/04/46/1071140446.db2.gz CJBCSAPPDSMGPE-ZRDDSIGQSA-N 0 0 554.194 5.261 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917885 1071140395 /nfs/dbraw/zinc/14/03/95/1071140395.db2.gz CJBCSAPPDSMGPE-ISQHLFTMSA-N 0 0 554.194 5.261 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408917531 1071147362 /nfs/dbraw/zinc/14/73/62/1071147362.db2.gz WKICTIOXPIBWRN-WYMPLXKRSA-N 0 0 603.878 7.225 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408928679 1071178744 /nfs/dbraw/zinc/17/87/44/1071178744.db2.gz DEUBFXFUEBSPQX-WSDLNYQXSA-N 0 0 631.277 6.190 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408928969 1071175092 /nfs/dbraw/zinc/17/50/92/1071175092.db2.gz GDYIKGBASNPEKG-JFLMPSFJSA-N 0 0 554.628 6.198 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408928556 1071181114 /nfs/dbraw/zinc/18/11/14/1071181114.db2.gz CCQBZHKTIFGIJM-SRZZPIQSSA-N 0 0 666.120 6.554 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000408928143 1071186857 /nfs/dbraw/zinc/18/68/57/1071186857.db2.gz ZXWGAYJDCQXTJN-JLKMOJGBSA-N 0 0 564.732 6.215 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000408927988 1071189536 /nfs/dbraw/zinc/18/95/36/1071189536.db2.gz ZFPVTXGUONZJFH-SUAMDDGLSA-N 0 0 589.695 5.385 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408935710 1071219121 /nfs/dbraw/zinc/21/91/21/1071219121.db2.gz NIDHZZSKFCKRDK-JJFYIABZSA-N 0 0 586.826 6.081 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408933909 1071238961 /nfs/dbraw/zinc/23/89/61/1071238961.db2.gz BAETYMVWCPDMNF-YVBHXKDBSA-N 0 0 710.578 5.974 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5F)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408933509 1071240105 /nfs/dbraw/zinc/24/01/05/1071240105.db2.gz BBTBIUQOXVZPGL-ILLSWNIOSA-N 0 0 712.550 5.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946573 1071269208 /nfs/dbraw/zinc/26/92/08/1071269208.db2.gz YYKVVVZQMFNKIV-ITNPZBTBSA-N 0 0 678.163 5.735 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408945086 1071281222 /nfs/dbraw/zinc/28/12/22/1071281222.db2.gz HFKSAGBRKAQRJL-OCDQFKQQSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408942881 1071296046 /nfs/dbraw/zinc/29/60/46/1071296046.db2.gz RWDSZDRZLATGFZ-NBQDTTAVSA-N 0 0 736.641 6.234 40 5 KKBBRN O=C(c1cccs1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103519770 1071308037 /nfs/dbraw/zinc/30/80/37/1071308037.db2.gz QLVSTNCGMUSMBH-YUUTYDCPSA-N 0 0 547.592 5.638 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408939763 1071322547 /nfs/dbraw/zinc/32/25/47/1071322547.db2.gz UGLVVIJSMVHUDT-NHDPSOOVSA-N 0 0 619.799 5.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938378 1071332064 /nfs/dbraw/zinc/33/20/64/1071332064.db2.gz LQQISLIZQKGHOI-NBQDTTAVSA-N 0 0 783.641 6.076 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937577 1071338263 /nfs/dbraw/zinc/33/82/63/1071338263.db2.gz JXNQDTKQGQVZCW-IMUCPKNRSA-N 0 0 783.641 6.076 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685939 1071353952 /nfs/dbraw/zinc/35/39/52/1071353952.db2.gz QLKOQEHXWMVXML-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408685973 1071354160 /nfs/dbraw/zinc/35/41/60/1071354160.db2.gz QQOPJKQNUAUPMB-UHFFFAOYSA-N 0 0 612.165 5.653 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408686580 1071350068 /nfs/dbraw/zinc/35/00/68/1071350068.db2.gz RZYHYEUMABJDLD-UHFFFAOYSA-N 0 0 539.158 6.062 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccccc1 ZINC000408686272 1071351831 /nfs/dbraw/zinc/35/18/31/1071351831.db2.gz RGBJNUSZAZIKHB-UHFFFAOYSA-N 0 0 567.168 5.745 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408684512 1071360608 /nfs/dbraw/zinc/36/06/08/1071360608.db2.gz NPYZFLMPDOAXCO-UHFFFAOYSA-N 0 0 789.969 6.089 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685712 1071355290 /nfs/dbraw/zinc/35/52/90/1071355290.db2.gz QBRDEJGGXRLRMA-FZDFQQAASA-N 0 0 608.448 5.807 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683271 1071366212 /nfs/dbraw/zinc/36/62/12/1071366212.db2.gz LBAWOICDPAIINS-FZDFQQAASA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408682502 1071369871 /nfs/dbraw/zinc/36/98/71/1071369871.db2.gz JIEYMVCFFFHZRX-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408688687 1071418416 /nfs/dbraw/zinc/41/84/16/1071418416.db2.gz WQDUEERTRPDHGH-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408687819 1071426635 /nfs/dbraw/zinc/42/66/35/1071426635.db2.gz VESPLSPQUHGQDB-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408974790 1071479512 /nfs/dbraw/zinc/47/95/12/1071479512.db2.gz DXWLJNQMYSGSIJ-PKYOQBLNSA-N 0 0 678.561 5.447 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408987124 1071482315 /nfs/dbraw/zinc/48/23/15/1071482315.db2.gz ALNIJFKHTSXAGB-SCRHHBKZSA-N 0 0 694.769 5.086 40 5 KKBBRN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 ZINC000408986227 1071491699 /nfs/dbraw/zinc/49/16/99/1071491699.db2.gz OQUCBMVDXKFVMF-MRXNPFEDSA-N 0 0 546.630 6.050 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408986205 1071490758 /nfs/dbraw/zinc/49/07/58/1071490758.db2.gz ONTRMSHHJDAOSG-GOWBIRFASA-N 0 0 677.360 6.424 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(C)s3)cc2s1 ZINC000408986173 1071493973 /nfs/dbraw/zinc/49/39/73/1071493973.db2.gz OIIMRBQDVNFICR-UHFFFAOYSA-N 0 0 519.655 5.396 40 5 KKBBRN Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc2c1)CCCC3 ZINC000408984188 1071510854 /nfs/dbraw/zinc/51/08/54/1071510854.db2.gz MBMHKLUYLQYKBE-UHFFFAOYSA-N 0 0 652.805 5.853 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408984174 1071510986 /nfs/dbraw/zinc/51/09/86/1071510986.db2.gz MARZOXCKIXHDJM-KUAKTGBJSA-N 0 0 690.959 6.520 40 5 KKBBRN O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408726983 1071514552 /nfs/dbraw/zinc/51/45/52/1071514552.db2.gz WOYUEXKFKRELNV-UKWGHVSLSA-N 0 0 525.882 5.617 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5ccc([N+](=O)[O-])cc5)c4c3)cc21 ZINC000408720405 1071511782 /nfs/dbraw/zinc/51/17/82/1071511782.db2.gz NLIGFXQIKDMSPY-UHFFFAOYSA-N 0 0 736.744 10.105 40 5 KKBBRN Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5cccc(C)c5)c4cc32)c1 ZINC000408720430 1071512303 /nfs/dbraw/zinc/51/23/03/1071512303.db2.gz ONVZBCCKCXTDTH-UHFFFAOYSA-N 0 0 600.674 9.172 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720458 1071512384 /nfs/dbraw/zinc/51/23/84/1071512384.db2.gz PRMPKDWDMZFUCI-QYRZKEDASA-N 0 0 506.558 5.619 40 5 KKBBRN COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726101 1071517863 /nfs/dbraw/zinc/51/78/63/1071517863.db2.gz PCBHULZMPSMASN-UHFFFAOYSA-N 0 0 551.599 5.199 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408982973 1071523290 /nfs/dbraw/zinc/52/32/90/1071523290.db2.gz KERSQFVCRDNCOK-DNQIBQKISA-N 0 0 628.888 5.382 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c(OC)c1 ZINC000408980757 1071538300 /nfs/dbraw/zinc/53/83/00/1071538300.db2.gz XDKJIRGCOOMKLW-SJXDCSIJSA-N 0 0 657.104 5.713 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408980552 1071538889 /nfs/dbraw/zinc/53/88/89/1071538889.db2.gz FNSJUFSGLQLEER-CJIXEESDSA-N 0 0 670.969 6.506 40 5 KKBBRN CC(C)(C)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C(C)(C)C)cc5)c4cc32)cc1 ZINC000408720770 1071541670 /nfs/dbraw/zinc/54/16/70/1071541670.db2.gz ZDCJRQAUHGBMKD-UHFFFAOYSA-N 0 0 684.836 11.150 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000408720233 1071545069 /nfs/dbraw/zinc/54/50/69/1071545069.db2.gz JSALIIMZTHFSPB-QKENHZOPSA-N 0 0 541.003 6.354 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 ZINC000408978480 1071548050 /nfs/dbraw/zinc/54/80/50/1071548050.db2.gz MHDWFNOVCJMTSA-VGEDDRPUSA-N 0 0 692.750 5.387 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720312 1071545572 /nfs/dbraw/zinc/54/55/72/1071545572.db2.gz KZDQCOHLCFMGTN-TVNKHIRZSA-N 0 0 520.585 6.009 40 5 KKBBRN CCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCC)c3cc21 ZINC000408720539 1071544145 /nfs/dbraw/zinc/54/41/45/1071544145.db2.gz UBCUSMLKXQAMRD-UHFFFAOYSA-N 0 0 530.672 7.177 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408979408 1071544801 /nfs/dbraw/zinc/54/48/01/1071544801.db2.gz CJJJQRFFECFGAX-PZKKRVAUSA-N 0 0 708.974 6.544 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733712 1071550172 /nfs/dbraw/zinc/55/01/72/1071550172.db2.gz OTGFSNLDLLMUFE-AUTFUCJRSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733617 1071550650 /nfs/dbraw/zinc/55/06/50/1071550650.db2.gz MIOSZLKWBWMPAJ-ZJTZAHLKSA-N 0 0 661.048 5.788 40 5 KKBBRN O=C(Nc1ncnc2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c21)c1ccccc1[N+](=O)[O-] ZINC000408977362 1071551191 /nfs/dbraw/zinc/55/11/91/1071551191.db2.gz VPTPLMFDCXGHGB-UHFFFAOYSA-N 0 0 512.525 6.806 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc(O)c2)C4=O)ccc1Br ZINC000408995598 1071551584 /nfs/dbraw/zinc/55/15/84/1071551584.db2.gz KDJNGNBZTXLHTL-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408733504 1071552138 /nfs/dbraw/zinc/55/21/38/1071552138.db2.gz YPLJKYLMYNTFHP-UQMGHXSLSA-N 0 0 590.544 5.007 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408737241 1071553280 /nfs/dbraw/zinc/55/32/80/1071553280.db2.gz MRNRFPWFFWJSOT-HHHXNRCGSA-N 0 0 538.560 5.310 40 5 KKBBRN Cc1c(I)ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1Cl ZINC000408736960 1071554365 /nfs/dbraw/zinc/55/43/65/1071554365.db2.gz KGZUWPRVRFIOQN-AREMUKBSSA-N 0 0 653.904 6.659 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000408736671 1071555566 /nfs/dbraw/zinc/55/55/66/1071555566.db2.gz FAMZNQNFJZKEPH-XIFFEERXSA-N 0 0 598.655 6.547 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994875 1071555727 /nfs/dbraw/zinc/55/57/27/1071555727.db2.gz HLJRDQLZXWHFCM-OINPTKSXSA-N 0 0 658.157 6.479 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408994547 1071557283 /nfs/dbraw/zinc/55/72/83/1071557283.db2.gz HYUREVBRLUNBNR-HGGMLFSRSA-N 0 0 608.763 7.365 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735840 1071558524 /nfs/dbraw/zinc/55/85/24/1071558524.db2.gz YJKHCUXXINOBPC-DDIUQFJASA-N 0 0 643.718 5.083 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735410 1071560788 /nfs/dbraw/zinc/56/07/88/1071560788.db2.gz ROQUUQDQYNSUEC-SJXDCSIJSA-N 0 0 674.688 5.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734601 1071564791 /nfs/dbraw/zinc/56/47/91/1071564791.db2.gz ZGYDCSLXBCCEHO-IZBTWGKQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735288 1071562051 /nfs/dbraw/zinc/56/20/51/1071562051.db2.gz PTNIPOBAFANOME-FVUNBJOLSA-N 0 0 673.744 5.092 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Sc5nc6ccc([N+](=O)[O-])cc6s5)o4)c(=O)n32)cc1OC ZINC000408993856 1071562769 /nfs/dbraw/zinc/56/27/69/1071562769.db2.gz XIRGQWYJXSWBBX-OGEXXFCLSA-N 0 0 711.803 6.153 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408993721 1071563706 /nfs/dbraw/zinc/56/37/06/1071563706.db2.gz FEPMARUJEPXLAH-QZVQSRICSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734383 1071565409 /nfs/dbraw/zinc/56/54/09/1071565409.db2.gz XQQFTWIPWIUULS-SZYVSPPHSA-N 0 0 675.075 6.097 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(O)cc2)C4=O)ccc1Br ZINC000408993487 1071565997 /nfs/dbraw/zinc/56/59/97/1071565997.db2.gz DJOASXZNOPVSDH-UHFFFAOYSA-N 0 0 532.350 6.377 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408993209 1071566449 /nfs/dbraw/zinc/56/64/49/1071566449.db2.gz VDSPDIMETABFEB-FBRKSOCZSA-N 0 0 651.751 6.136 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408993233 1071566618 /nfs/dbraw/zinc/56/66/18/1071566618.db2.gz CXDPNPAYWMKXMI-PQNXSAFSSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734280 1071567157 /nfs/dbraw/zinc/56/71/57/1071567157.db2.gz WEIQISSBALHACU-HJUDQDPUSA-N 0 0 644.489 5.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733905 1071568397 /nfs/dbraw/zinc/56/83/97/1071568397.db2.gz RMBYWVGASLCLID-LABHGBKVSA-N 0 0 704.588 7.161 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733953 1071568957 /nfs/dbraw/zinc/56/89/57/1071568957.db2.gz SZPHCOSUDVJLEL-FVUNBJOLSA-N 0 0 635.698 5.854 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733931 1071569062 /nfs/dbraw/zinc/56/90/62/1071569062.db2.gz SDDZIBRGSYRZQB-FVUNBJOLSA-N 0 0 635.698 5.854 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 ZINC000408733286 1071573409 /nfs/dbraw/zinc/57/34/09/1071573409.db2.gz WZPCREGRXILSDE-FWDASRDPSA-N 0 0 576.561 5.287 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731907 1071580186 /nfs/dbraw/zinc/58/01/86/1071580186.db2.gz QRCPCKSQPNOVAS-SANMLTNESA-N 0 0 533.606 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730465 1071586935 /nfs/dbraw/zinc/58/69/35/1071586935.db2.gz REGSOZAVAUVZKB-ZJTZAHLKSA-N 0 0 661.048 5.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730992 1071583598 /nfs/dbraw/zinc/58/35/98/1071583598.db2.gz XLUOLTZLKMOZMX-FUFNRSNVSA-N 0 0 660.502 5.989 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccccc1 ZINC000408730740 1071585572 /nfs/dbraw/zinc/58/55/72/1071585572.db2.gz HLWNVNFYYGWMFE-TZQPNWGHSA-N 0 0 550.954 5.923 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408990388 1071590171 /nfs/dbraw/zinc/59/01/71/1071590171.db2.gz XKDXMXCSRNNLKM-NDENLUEZSA-N 0 0 537.322 5.320 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729730 1071590764 /nfs/dbraw/zinc/59/07/64/1071590764.db2.gz IXRDVIZHAKPBBL-FJNIOPPGSA-N 0 0 873.463 6.755 40 5 KKBBRN O=c1c2ccc3c(=O)n(-c4ccc(Cl)cc4Cl)c(=O)c4ccc(c(=O)n1-c1ccc(Cl)cc1Cl)c2c34 ZINC000408729784 1071590906 /nfs/dbraw/zinc/59/09/06/1071590906.db2.gz CUPBYZFOTMEISY-UHFFFAOYSA-N 0 0 556.188 5.658 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729535 1071591284 /nfs/dbraw/zinc/59/12/84/1071591284.db2.gz GOFMSPNYCJPEDQ-JJHILCALSA-N 0 0 690.561 6.852 40 5 KKBBRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408729585 1071591307 /nfs/dbraw/zinc/59/13/07/1071591307.db2.gz CNPLIZISOJIFOV-UHFFFAOYSA-N 0 0 616.667 5.012 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000408729289 1071593059 /nfs/dbraw/zinc/59/30/59/1071593059.db2.gz AUQOFQBWYHQPJG-XJALMMSUSA-N 0 0 546.535 5.278 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000408729285 1071593154 /nfs/dbraw/zinc/59/31/54/1071593154.db2.gz AUQOFQBWYHQPJG-PQIRLRHJSA-N 0 0 546.535 5.278 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408989550 1071595244 /nfs/dbraw/zinc/59/52/44/1071595244.db2.gz ICLWINWOUMHSRP-OTHIGLTOSA-N 0 0 677.735 5.440 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408989088 1071599946 /nfs/dbraw/zinc/59/99/46/1071599946.db2.gz GXCKEJIDNVYCJT-UHFFFAOYSA-N 0 0 585.692 7.602 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408988239 1071605188 /nfs/dbraw/zinc/60/51/88/1071605188.db2.gz RQMPMILDCGZXJK-UHFFFAOYSA-N 0 0 806.106 7.786 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739071 1071605492 /nfs/dbraw/zinc/60/54/92/1071605492.db2.gz SNGOBLJROZADSH-RISWYLRJSA-N 0 0 594.045 5.019 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738731 1071607054 /nfs/dbraw/zinc/60/70/54/1071607054.db2.gz NGLRICPLJOBMHD-HVDVVURSSA-N 0 0 643.718 5.083 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408997090 1071615343 /nfs/dbraw/zinc/61/53/43/1071615343.db2.gz QZCXHGYWLNNVHA-UHFFFAOYSA-N 0 0 500.898 5.904 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408995846 1071620461 /nfs/dbraw/zinc/62/04/61/1071620461.db2.gz BNVMBMSMBNORAR-HNVAQCFTSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408995834 1071620523 /nfs/dbraw/zinc/62/05/23/1071620523.db2.gz FDELSSNZMKRZFA-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408757225 1071633806 /nfs/dbraw/zinc/63/38/06/1071633806.db2.gz WJSXOKYBFVLMIH-DDIUQFJASA-N 0 0 559.647 6.104 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408757218 1071633230 /nfs/dbraw/zinc/63/32/30/1071633230.db2.gz WFJSSJHAFLMNHH-GRPHBVMCSA-N 0 0 617.683 5.423 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12)OCc1ccccc1 ZINC000409002667 1071640194 /nfs/dbraw/zinc/64/01/94/1071640194.db2.gz PARUBKOPSAWAKQ-VWLOTQADSA-N 0 0 509.518 5.970 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408755933 1071642080 /nfs/dbraw/zinc/64/20/80/1071642080.db2.gz GJTOEDZZPWCNCN-AMQCUNCASA-N 0 0 619.699 6.121 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 ZINC000409001712 1071643922 /nfs/dbraw/zinc/64/39/22/1071643922.db2.gz QSOCZGLYJXLCNL-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000408755096 1071646542 /nfs/dbraw/zinc/64/65/42/1071646542.db2.gz BMLCPCGOHSNHJB-UNDLXJOSSA-N 0 0 561.619 5.496 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408754674 1071650009 /nfs/dbraw/zinc/65/00/09/1071650009.db2.gz XACPMKLCEDBBCU-AQIZGWBQSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408998982 1071656785 /nfs/dbraw/zinc/65/67/85/1071656785.db2.gz VOZFLWVVABGVFP-QZVQSRICSA-N 0 0 742.673 6.907 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754276 1071652834 /nfs/dbraw/zinc/65/28/34/1071652834.db2.gz GAGVQSZVJVQFLS-UTAOYMJKSA-N 0 0 571.658 5.806 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998279 1071660115 /nfs/dbraw/zinc/66/01/15/1071660115.db2.gz ISDIESJCLATQOT-GOQPZEPVSA-N 0 0 647.709 5.431 40 5 KKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409016484 1071667151 /nfs/dbraw/zinc/66/71/51/1071667151.db2.gz CTQNQQVXUIMENW-NNLQFVHNSA-N 0 0 664.259 6.218 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409015781 1071670861 /nfs/dbraw/zinc/67/08/61/1071670861.db2.gz FTISOWCORGDNOB-YBFXNURJSA-N 0 0 521.389 5.780 40 5 KKBBRN Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000408751094 1071672231 /nfs/dbraw/zinc/67/22/31/1071672231.db2.gz WJXMZMOCDNPVKT-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000408750481 1071675502 /nfs/dbraw/zinc/67/55/02/1071675502.db2.gz NRWWKBAHLVSGEM-UHFFFAOYSA-N 0 0 516.387 6.604 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409014640 1071675545 /nfs/dbraw/zinc/67/55/45/1071675545.db2.gz XSWPCUWGHVDCBR-PVGUKEHMSA-N 0 0 626.425 5.165 40 5 KKBBRN Cc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408748476 1071693136 /nfs/dbraw/zinc/69/31/36/1071693136.db2.gz ATSODKFWNLYJDC-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409009858 1071693715 /nfs/dbraw/zinc/69/37/15/1071693715.db2.gz ACCBRWROGVPPJR-PCLIKHOPSA-N 0 0 810.408 5.768 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408760885 1071695666 /nfs/dbraw/zinc/69/56/66/1071695666.db2.gz AQQQWDGGTRQDNV-JREUYWDSSA-N 0 0 721.788 5.839 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCc1ccccc1 ZINC000409008034 1071701704 /nfs/dbraw/zinc/70/17/04/1071701704.db2.gz UYDXHNPRDSQXQA-HMAPJEAMSA-N 0 0 618.303 6.978 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408757999 1071707294 /nfs/dbraw/zinc/70/72/94/1071707294.db2.gz UDUOCNUPRGPGCK-FVUNBJOLSA-N 0 0 759.476 7.340 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408758034 1071707804 /nfs/dbraw/zinc/70/78/04/1071707804.db2.gz UPXJVVPQYVHJPO-UHFFFAOYSA-N 0 0 500.898 5.904 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758104 1071708257 /nfs/dbraw/zinc/70/82/57/1071708257.db2.gz VJZHSXYIQHDIFV-USDTVRPUSA-N 0 0 610.489 6.249 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408757975 1071709186 /nfs/dbraw/zinc/70/91/86/1071709186.db2.gz SXEUSXJNMLOMBK-LXKZMGPHSA-N 0 0 714.597 7.362 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409023324 1071715911 /nfs/dbraw/zinc/71/59/11/1071715911.db2.gz JNYAFTIFXLUJSK-WSDLNYQXSA-N 0 0 644.276 5.539 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408766900 1071716816 /nfs/dbraw/zinc/71/68/16/1071716816.db2.gz WPIQADFWZLNLRO-FSPONLMBSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409018656 1071731786 /nfs/dbraw/zinc/73/17/86/1071731786.db2.gz XNFIWVOUDCEBEK-MQMKENTISA-N 0 0 582.416 6.012 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409036737 1071739894 /nfs/dbraw/zinc/73/98/94/1071739894.db2.gz LYBAYEYALMFEHL-LCQSEVKBSA-N 0 0 666.550 5.826 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409036313 1071743395 /nfs/dbraw/zinc/74/33/95/1071743395.db2.gz QYAHLVQFTBMVTL-HRIDGTDGSA-N 0 0 595.633 5.128 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000409036603 1071741115 /nfs/dbraw/zinc/74/11/15/1071741115.db2.gz RXKYGCAYQCVTOI-UQDCTOEPSA-N 0 0 587.654 5.062 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409036501 1071742070 /nfs/dbraw/zinc/74/20/70/1071742070.db2.gz LJPBBSRPEJSGED-OGMUYLFESA-N 0 0 641.587 6.656 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770535 1071742994 /nfs/dbraw/zinc/74/29/94/1071742994.db2.gz YPGAWLQNIYARBI-MBSKNMOHSA-N 0 0 738.613 5.464 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408776628 1071749010 /nfs/dbraw/zinc/74/90/10/1071749010.db2.gz XRPXQLLBCVZODK-SCRHHBKZSA-N 0 0 526.014 5.998 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034689 1071757600 /nfs/dbraw/zinc/75/76/00/1071757600.db2.gz QTAWZBFUUKELFG-MRWVFDTMSA-N 0 0 673.744 5.090 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408775386 1071755246 /nfs/dbraw/zinc/75/52/46/1071755246.db2.gz SMLVLCQUZJIXAH-ARLGEPFESA-N 0 0 617.465 5.949 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409034149 1071763032 /nfs/dbraw/zinc/76/30/32/1071763032.db2.gz GWQUDLQMIBOHCI-KMBIYUNPSA-N 0 0 668.953 5.701 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000409034547 1071758486 /nfs/dbraw/zinc/75/84/86/1071758486.db2.gz HUYMNLYNXHIBCN-UAMLYEQYSA-N 0 0 692.588 5.837 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033744 1071766806 /nfs/dbraw/zinc/76/68/06/1071766806.db2.gz PJKAINFGAUSPDU-NQUBGTRZSA-N 0 0 693.778 6.235 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033166 1071772743 /nfs/dbraw/zinc/77/27/43/1071772743.db2.gz NGFAVQRPASBNHZ-FZEVDNDPSA-N 0 0 712.608 6.388 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409032465 1071781127 /nfs/dbraw/zinc/78/11/27/1071781127.db2.gz CDWCDAOXUMCLJG-FQKMCRJQSA-N 0 0 670.513 5.657 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032079 1071782996 /nfs/dbraw/zinc/78/29/96/1071782996.db2.gz ITPQGVUFLBXKLQ-XSTKMXAKSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408770819 1071784968 /nfs/dbraw/zinc/78/49/68/1071784968.db2.gz ACRRUFQCDLXGKQ-ZSJKCPIUSA-N 0 0 825.394 5.634 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408769715 1071790095 /nfs/dbraw/zinc/79/00/95/1071790095.db2.gz ZZNNUWGXOAOSBI-FQWZWQHVSA-N 0 0 630.053 5.896 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770203 1071788107 /nfs/dbraw/zinc/78/81/07/1071788107.db2.gz UQIWBALPZVISMP-QQMBNGEASA-N 0 0 663.668 5.491 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030728 1071793674 /nfs/dbraw/zinc/79/36/74/1071793674.db2.gz HOKVOQFIUYCESC-FZEVDNDPSA-N 0 0 697.688 6.313 40 5 KKBBRN CCOc1cc(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408768966 1071796137 /nfs/dbraw/zinc/79/61/37/1071796137.db2.gz NDPRKJZXRJYHDL-KLKBWYFJSA-N 0 0 631.492 6.339 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768452 1071800870 /nfs/dbraw/zinc/80/08/70/1071800870.db2.gz JJAWNUSUNJCRKW-AUTFUCJRSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC(=O)OC)c(OCC)c3)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000409029732 1071804231 /nfs/dbraw/zinc/80/42/31/1071804231.db2.gz ASUOHBUCMFXWDL-PNUVFATHSA-N 0 0 838.686 5.175 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000409029416 1071807389 /nfs/dbraw/zinc/80/73/89/1071807389.db2.gz AQIGFFVAQBMODQ-UQDCTOEPSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408767746 1071808174 /nfs/dbraw/zinc/80/81/74/1071808174.db2.gz GUEDXKRYOVRWFL-CJCCVFIKSA-N 0 0 852.352 6.590 40 5 KKBBRN O=c1/c(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408767540 1071808592 /nfs/dbraw/zinc/80/85/92/1071808592.db2.gz MGLUNXWNJLZLMO-LRUGRNCASA-N 0 0 603.685 5.847 40 5 KKBBRN COc1ccc(C(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1 ZINC000408781115 1071819953 /nfs/dbraw/zinc/81/99/53/1071819953.db2.gz AJTUBKDNSKVNJP-SAGCDJCOSA-N 0 0 615.667 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408779731 1071828695 /nfs/dbraw/zinc/82/86/95/1071828695.db2.gz JEGRYJISVJPFBW-NFYDWNOTSA-N 0 0 713.494 5.317 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045490 1071824411 /nfs/dbraw/zinc/82/44/11/1071824411.db2.gz PSJKVCYVYDHFRQ-JBDHCHCMSA-N 0 0 638.098 5.416 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408779447 1071830847 /nfs/dbraw/zinc/83/08/47/1071830847.db2.gz WXOZRPYSTMFNIH-OIUASMPBSA-N 0 0 837.490 6.737 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408779420 1071830864 /nfs/dbraw/zinc/83/08/64/1071830864.db2.gz WQFOMPZJZXSBBL-IZBTWGKQSA-N 0 0 701.533 5.240 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408779138 1071832818 /nfs/dbraw/zinc/83/28/18/1071832818.db2.gz AHJUCXMJXFZQMC-JOHYPREOSA-N 0 0 698.222 6.798 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045425 1071840670 /nfs/dbraw/zinc/84/06/70/1071840670.db2.gz PMOHLBKLUPFSKY-QEEORQGDSA-N 0 0 801.068 5.652 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045404 1071840678 /nfs/dbraw/zinc/84/06/78/1071840678.db2.gz IPWGGMRXNDGCSE-FQKMCRJQSA-N 0 0 642.517 6.062 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785339 1071857167 /nfs/dbraw/zinc/85/71/67/1071857167.db2.gz WNHPCCKIDJRJES-KMCFWPMWSA-N 0 0 714.569 6.324 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409043681 1071857579 /nfs/dbraw/zinc/85/75/79/1071857579.db2.gz ZAEHIONBNSBISH-KEQCBNTKSA-N 0 0 713.404 5.811 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409043076 1071863139 /nfs/dbraw/zinc/86/31/39/1071863139.db2.gz ZIKUQBPGDKEGKR-CRCYZHLCSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408784945 1071860718 /nfs/dbraw/zinc/86/07/18/1071860718.db2.gz DPKKIHMOVZRVDV-IQPMGOHCSA-N 0 0 694.209 7.200 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409042790 1071866081 /nfs/dbraw/zinc/86/60/81/1071866081.db2.gz CSIUXUPUNRABGQ-BKUYFWCQSA-N 0 0 697.292 5.987 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409042832 1071866934 /nfs/dbraw/zinc/86/69/34/1071866934.db2.gz CYLYCICIIHFSNI-FQKMCRJQSA-N 0 0 642.517 6.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042427 1071868958 /nfs/dbraw/zinc/86/89/58/1071868958.db2.gz KTJPJXDRLQIUMU-PNQAETMRSA-N 0 0 673.744 5.090 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042463 1071869481 /nfs/dbraw/zinc/86/94/81/1071869481.db2.gz KXNBVPNUWWBPEW-OIUASMPBSA-N 0 0 722.614 5.844 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)o1 ZINC000408794687 1071884691 /nfs/dbraw/zinc/88/46/91/1071884691.db2.gz ATVOQZLQQDXTLQ-XJJGNREASA-N 0 0 502.616 7.217 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040346 1071891911 /nfs/dbraw/zinc/89/19/11/1071891911.db2.gz YJDTVHWGXBKZHD-OKMHPQNISA-N 0 0 769.614 5.686 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409039964 1071893681 /nfs/dbraw/zinc/89/36/81/1071893681.db2.gz RUPFVXJSBADNNH-KEQCBNTKSA-N 0 0 807.404 5.495 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409039963 1071893700 /nfs/dbraw/zinc/89/37/00/1071893700.db2.gz RUPFVXJSBADNNH-JAYSWQADSA-N 0 0 807.404 5.495 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409039606 1071898745 /nfs/dbraw/zinc/89/87/45/1071898745.db2.gz HDFLMZVTSSWBBK-UAMLYEQYSA-N 0 0 692.588 5.835 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)sc2=N1 ZINC000409038916 1071902997 /nfs/dbraw/zinc/90/29/97/1071902997.db2.gz FWJSYZULFYKDPQ-UQDCTOEPSA-N 0 0 638.098 5.417 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000409038415 1071909519 /nfs/dbraw/zinc/90/95/19/1071909519.db2.gz VGTCUXZPIUAITO-RISWYLRJSA-N 0 0 609.582 5.518 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409055437 1071927325 /nfs/dbraw/zinc/92/73/25/1071927325.db2.gz YKVLSKVZRWVZKJ-XKZIYDEJSA-N 0 0 746.292 6.637 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409055179 1071929508 /nfs/dbraw/zinc/92/95/08/1071929508.db2.gz KFDWZTCPZDRMCT-MTJSOVHGSA-N 0 0 575.824 6.839 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409054543 1071933157 /nfs/dbraw/zinc/93/31/57/1071933157.db2.gz BOQHCEQHWHLPQB-UUYOSTAYSA-N 0 0 789.773 6.184 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053528 1071938832 /nfs/dbraw/zinc/93/88/32/1071938832.db2.gz ZDTUHNWGJZHSMI-UCQKPKSFSA-N 0 0 528.945 6.082 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409052132 1071948209 /nfs/dbraw/zinc/94/82/09/1071948209.db2.gz GOCJUWZLMHNQIG-UCQKPKSFSA-N 0 0 573.396 6.191 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049993 1071961741 /nfs/dbraw/zinc/96/17/41/1071961741.db2.gz RWIQWRJIEIUBEY-QEEORQGDSA-N 0 0 784.613 5.138 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409079507 1072132247 /nfs/dbraw/zinc/13/22/47/1072132247.db2.gz JYMWOYJMTUJQAD-ITNPZBTBSA-N 0 0 857.464 6.648 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409079222 1072135901 /nfs/dbraw/zinc/13/59/01/1072135901.db2.gz KOZCULGJXIWLII-ZCWBPALNSA-N 0 0 733.424 6.363 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)sc2=N1 ZINC000409078752 1072143521 /nfs/dbraw/zinc/14/35/21/1072143521.db2.gz CVNQVHFQERNSMH-SOJUGJLBSA-N 0 0 871.491 7.036 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)sc2=N1 ZINC000409078755 1072143527 /nfs/dbraw/zinc/14/35/27/1072143527.db2.gz CVNQVHFQERNSMH-ZMTYCLHQSA-N 0 0 871.491 7.036 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409087155 1072158739 /nfs/dbraw/zinc/15/87/39/1072158739.db2.gz GORJVNMRNDLGFZ-UNDLXJOSSA-N 0 0 644.775 5.180 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409086828 1072161143 /nfs/dbraw/zinc/16/11/43/1072161143.db2.gz RUOQZGRRAFIRLW-NULZLWRNSA-N 0 0 613.533 5.876 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409077387 1072156762 /nfs/dbraw/zinc/15/67/62/1072156762.db2.gz FHJQIAHTXBVBPT-PVQVBGRLSA-N 0 0 775.681 7.602 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409096586 1072232393 /nfs/dbraw/zinc/23/23/93/1072232393.db2.gz LMBQPPFOWBDFOT-MFKUBSTISA-N 0 0 612.060 6.300 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000409095450 1072239459 /nfs/dbraw/zinc/23/94/59/1072239459.db2.gz COQWNJJKXMLJTJ-WSDLNYQXSA-N 0 0 555.374 5.320 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095429 1072239581 /nfs/dbraw/zinc/23/95/81/1072239581.db2.gz BFAWWFFQNUDUMP-UDHMSBBDSA-N 0 0 686.787 5.007 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409094366 1072247341 /nfs/dbraw/zinc/24/73/41/1072247341.db2.gz DUAMYDYEWOZZGU-YDZHTSKRSA-N 0 0 564.532 5.369 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409094898 1072243456 /nfs/dbraw/zinc/24/34/56/1072243456.db2.gz GFYOXVRBDDMIIN-VVGPUZASSA-N 0 0 709.806 5.586 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094892 1072243475 /nfs/dbraw/zinc/24/34/75/1072243475.db2.gz GFMFYANNIQYGLH-RFZPLYKNSA-N 0 0 656.145 5.438 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409094760 1072244322 /nfs/dbraw/zinc/24/43/22/1072244322.db2.gz FWVZUPWXYWKSTJ-GIJQJNRQSA-N 0 0 525.366 5.469 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409094209 1072248247 /nfs/dbraw/zinc/24/82/47/1072248247.db2.gz BXYXPXYYVZSDHL-ZHGFHMGHSA-N 0 0 666.785 5.115 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409093551 1072251320 /nfs/dbraw/zinc/25/13/20/1072251320.db2.gz APNFIAHGQCKDIU-ZIRCPPMYSA-N 0 0 614.749 5.172 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 ZINC000409093594 1072251779 /nfs/dbraw/zinc/25/17/79/1072251779.db2.gz AZWVFOGJRMEKIG-WSDLNYQXSA-N 0 0 555.374 5.320 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093104 1072256039 /nfs/dbraw/zinc/25/60/39/1072256039.db2.gz XNGJGAAHUMMUDW-FSEOGBMLSA-N 0 0 702.967 5.790 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000409091236 1072273322 /nfs/dbraw/zinc/27/33/22/1072273322.db2.gz RXHUOOJXMMJFRB-JLHDDXNDSA-N 0 0 622.659 5.059 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409088337 1072299590 /nfs/dbraw/zinc/29/95/90/1072299590.db2.gz WXKUJUMDYPAWSY-PYCBVSLESA-N 0 0 622.659 5.059 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409087720 1072305430 /nfs/dbraw/zinc/30/54/30/1072305430.db2.gz JOAYKRLVDPMSQU-WWWKDLBZSA-N 0 0 628.776 5.480 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409087525 1072306298 /nfs/dbraw/zinc/30/62/98/1072306298.db2.gz CWTUQNHYRRJVOF-UQDCTOEPSA-N 0 0 583.597 5.259 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409102164 1072309504 /nfs/dbraw/zinc/30/95/04/1072309504.db2.gz YGPQNBUBLNMMJI-HDFSHUSISA-N 0 0 633.195 6.125 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409100987 1072316786 /nfs/dbraw/zinc/31/67/86/1072316786.db2.gz ODRHFIATKSIKQW-CSJROMOCSA-N 0 0 641.134 5.377 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409099735 1072324350 /nfs/dbraw/zinc/32/43/50/1072324350.db2.gz TUKFPDWQOABJJX-YSGLVZJUSA-N 0 0 653.805 5.554 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409100357 1072320955 /nfs/dbraw/zinc/32/09/55/1072320955.db2.gz URUOPMSPFHQIIW-YDZHTSKRSA-N 0 0 506.536 5.315 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409099305 1072327174 /nfs/dbraw/zinc/32/71/74/1072327174.db2.gz KYVGFJJJGYRKCQ-YNMQQHPQSA-N 0 0 653.613 6.470 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409336063 1072334011 /nfs/dbraw/zinc/33/40/11/1072334011.db2.gz LOLWWEVPESJUQL-FCVOFCDTSA-N 0 0 769.583 5.585 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097363 1072337909 /nfs/dbraw/zinc/33/79/09/1072337909.db2.gz NLWWBSRIGLGLEC-ASZHOJRSSA-N 0 0 726.631 5.213 40 5 KKBBRN O=C(CSCC(=O)Nc1cccc2ccccc21)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000409335296 1072339345 /nfs/dbraw/zinc/33/93/45/1072339345.db2.gz LLGICBCTPYFQLU-UHFFFAOYSA-N 0 0 574.709 6.960 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409334978 1072343065 /nfs/dbraw/zinc/34/30/65/1072343065.db2.gz YFNCZKJKIQISET-CFRMEGHHSA-N 0 0 519.579 6.270 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409105971 1072346034 /nfs/dbraw/zinc/34/60/34/1072346034.db2.gz LVWPDSGRWLJUAH-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409105357 1072349876 /nfs/dbraw/zinc/34/98/76/1072349876.db2.gz MZTDMSJIJZPDSS-JPWHIBCASA-N 0 0 723.855 7.145 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409332871 1072357722 /nfs/dbraw/zinc/35/77/22/1072357722.db2.gz RZOGBPMPDWISSC-VULFUBBASA-N 0 0 606.613 6.492 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409333537 1072352000 /nfs/dbraw/zinc/35/20/00/1072352000.db2.gz KHAGEJIQOPIXET-YVBHXKDBSA-N 0 0 674.529 6.297 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409104991 1072352549 /nfs/dbraw/zinc/35/25/49/1072352549.db2.gz HJIRBNMTOYNRDA-YDZHTSKRSA-N 0 0 506.536 5.315 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409333663 1072353357 /nfs/dbraw/zinc/35/33/57/1072353357.db2.gz KZWLEIYZOVPDMS-UPWSPCOFSA-N 0 0 694.947 6.642 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409103789 1072358848 /nfs/dbraw/zinc/35/88/48/1072358848.db2.gz YWKMHEUMUFFXJM-GVMLUORFSA-N 0 0 611.507 5.579 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409103393 1072361453 /nfs/dbraw/zinc/36/14/53/1072361453.db2.gz WJIFRAPCHMQFJQ-ZVHZXABRSA-N 0 0 598.033 5.910 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409102639 1072365068 /nfs/dbraw/zinc/36/50/68/1072365068.db2.gz BOGAQVLBXVQWOJ-CFEDROAVSA-N 0 0 667.769 5.590 40 5 KKBBRN CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116895 1072371755 /nfs/dbraw/zinc/37/17/55/1072371755.db2.gz NLKNSSMJFDMIMU-UHFFFAOYSA-N 0 0 532.378 6.406 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409331474 1072370284 /nfs/dbraw/zinc/37/02/84/1072370284.db2.gz NGVNAPLUAWOKJW-MYYYXRDXSA-N 0 0 547.658 6.853 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 ZINC000409115394 1072377658 /nfs/dbraw/zinc/37/76/58/1072377658.db2.gz IYACMGWFXXVYCH-HHHXNRCGSA-N 0 0 518.400 7.263 40 5 KKBBRN CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409114709 1072379891 /nfs/dbraw/zinc/37/98/91/1072379891.db2.gz IVKIRLBNYSNGMA-UHFFFAOYSA-N 0 0 536.220 6.710 40 5 KKBBRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113774 1072383858 /nfs/dbraw/zinc/38/38/58/1072383858.db2.gz FLHRYUXOWCFIGH-UHFFFAOYSA-N 0 0 538.769 6.361 40 5 KKBBRN O=C(Oc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 ZINC000409113002 1072387065 /nfs/dbraw/zinc/38/70/65/1072387065.db2.gz HPDAVQMWDFQGCN-XIFFEERXSA-N 0 0 569.617 7.175 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409113045 1072387098 /nfs/dbraw/zinc/38/70/98/1072387098.db2.gz HTCXZHBLDHWBEM-XMMPIXPASA-N 0 0 579.403 6.002 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409329273 1072387149 /nfs/dbraw/zinc/38/71/49/1072387149.db2.gz DBEUMKNRJGVXDI-NDENLUEZSA-N 0 0 585.392 5.228 40 5 KKBBRN COc1cc(CNc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110173 1072396698 /nfs/dbraw/zinc/39/66/98/1072396698.db2.gz SYQPKPISXNIXKJ-UHFFFAOYSA-N 0 0 518.351 6.016 40 5 KKBBRN Cc1ccc(COc2ccc([C@@H]3N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc4C(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409109355 1072400367 /nfs/dbraw/zinc/40/03/67/1072400367.db2.gz CBKUTBOLHRFPHI-PGUFJCEWSA-N 0 0 569.661 7.844 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108568 1072405811 /nfs/dbraw/zinc/40/58/11/1072405811.db2.gz WVPVBVXXBMTEQZ-KMBIYUNPSA-N 0 0 696.605 5.199 40 5 KKBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 ZINC000409336880 1072408106 /nfs/dbraw/zinc/40/81/06/1072408106.db2.gz QREHJSPZHBWNOJ-SFHVURJKSA-N 0 0 523.666 5.157 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108143 1072409124 /nfs/dbraw/zinc/40/91/24/1072409124.db2.gz VGOYPHXPBBCVND-XNMXCUJWSA-N 0 0 649.773 5.332 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107856 1072411099 /nfs/dbraw/zinc/41/10/99/1072411099.db2.gz RMPSOPJRVVNPBC-PSAPEEBNSA-N 0 0 701.599 6.196 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107855 1072411120 /nfs/dbraw/zinc/41/11/20/1072411120.db2.gz RMPSOPJRVVNPBC-OXDPQRGISA-N 0 0 701.599 6.196 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409345498 1072422692 /nfs/dbraw/zinc/42/26/92/1072422692.db2.gz IYJQILJXPJLDHM-WYMPLXKRSA-N 0 0 664.456 7.967 40 5 KKBBRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120474 1072430611 /nfs/dbraw/zinc/43/06/11/1072430611.db2.gz ZTMMJHAFFZTXBF-UHFFFAOYSA-N 0 0 535.394 7.349 40 5 KKBBRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118421 1072441141 /nfs/dbraw/zinc/44/11/41/1072441141.db2.gz QIHOJSLUGWXSFC-UHFFFAOYSA-N 0 0 596.421 7.582 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br ZINC000409342685 1072448090 /nfs/dbraw/zinc/44/80/90/1072448090.db2.gz DUSYGGRJPFDPFB-SRZZPIQSSA-N 0 0 599.375 5.733 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000409127078 1072449175 /nfs/dbraw/zinc/44/91/75/1072449175.db2.gz BYDBRTPXJGZVLC-UMSFTDKQSA-N 0 0 590.680 6.348 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409340514 1072466842 /nfs/dbraw/zinc/46/68/42/1072466842.db2.gz YIPCINMEQKISFE-WSDLNYQXSA-N 0 0 525.970 6.307 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 ZINC000409124105 1072468588 /nfs/dbraw/zinc/46/85/88/1072468588.db2.gz JDUZYZDRRUAXRR-LPYMAVHISA-N 0 0 531.428 6.553 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br ZINC000409339896 1072471808 /nfs/dbraw/zinc/47/18/08/1072471808.db2.gz ZOJKVUZSFQIQQN-MTJSOVHGSA-N 0 0 604.891 6.837 40 5 KKBBRN COc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1[N+](=O)[O-] ZINC000409337846 1072491673 /nfs/dbraw/zinc/49/16/73/1072491673.db2.gz XPUVOYUIRGVSRL-UHFFFAOYSA-N 0 0 522.520 5.214 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409356182 1072503648 /nfs/dbraw/zinc/50/36/48/1072503648.db2.gz FMTUQAGCOFTMMW-ZDUSSCGKSA-N 0 0 537.429 5.043 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409132377 1072504201 /nfs/dbraw/zinc/50/42/01/1072504201.db2.gz OHXQFJGSYKHCBO-LFVJCYFKSA-N 0 0 583.460 6.614 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355555 1072509294 /nfs/dbraw/zinc/50/92/94/1072509294.db2.gz DDDFFHLEJYBQRP-IVQFASICSA-N 0 0 606.704 5.326 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355392 1072510266 /nfs/dbraw/zinc/51/02/66/1072510266.db2.gz CFKGYZCOECAPLU-GEYGMGCISA-N 0 0 742.648 6.908 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353901 1072518431 /nfs/dbraw/zinc/51/84/31/1072518431.db2.gz UJNJWLFRKBBFBA-LCQSEVKBSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409129563 1072520030 /nfs/dbraw/zinc/52/00/30/1072520030.db2.gz GXQNOLQTPWQNLD-KOEQRZSOSA-N 0 0 597.487 7.004 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409353603 1072520794 /nfs/dbraw/zinc/52/07/94/1072520794.db2.gz OALCJNLHNVQHJF-UHFFFAOYSA-N 0 0 536.795 5.766 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409128231 1072527380 /nfs/dbraw/zinc/52/73/80/1072527380.db2.gz DXKDOQXHJJXBQP-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409351422 1072535634 /nfs/dbraw/zinc/53/56/34/1072535634.db2.gz UHMPGCCCDWHMOX-JVWAILMASA-N 0 0 575.643 6.371 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409141450 1072553209 /nfs/dbraw/zinc/55/32/09/1072553209.db2.gz HZGJQQDXWTUCNK-JOCHJYFZSA-N 0 0 644.577 5.950 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4cccc5ccccc54)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141320 1072554018 /nfs/dbraw/zinc/55/40/18/1072554018.db2.gz NCCAETAPTWRSED-KOHOJCOXSA-N 0 0 619.699 5.747 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348449 1072555997 /nfs/dbraw/zinc/55/59/97/1072555997.db2.gz PIZAGPRRGRSFFV-NRFANRHFSA-N 0 0 579.510 6.069 40 5 KKBBRN CCOc1cc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000409140129 1072560971 /nfs/dbraw/zinc/56/09/71/1072560971.db2.gz QAKNWBIZVAABLH-PSXMRANNSA-N 0 0 599.687 7.934 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C ZINC000409347976 1072561079 /nfs/dbraw/zinc/56/10/79/1072561079.db2.gz OAFVNTYKFLYBCQ-FQEVSTJZSA-N 0 0 551.456 5.196 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140064 1072562011 /nfs/dbraw/zinc/56/20/11/1072562011.db2.gz HQMCLAOPWZEHGO-WQNUKSJVSA-N 0 0 682.980 6.010 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409366117 1072575320 /nfs/dbraw/zinc/57/53/20/1072575320.db2.gz ZIXYRRITZHZNIA-PLMBTIQCSA-N 0 0 692.588 5.755 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409146450 1072581888 /nfs/dbraw/zinc/58/18/88/1072581888.db2.gz RTXRSRRGRJFNFC-QQGWEUGNSA-N 0 0 772.839 6.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409145504 1072586383 /nfs/dbraw/zinc/58/63/83/1072586383.db2.gz RAMYMLGHLFXFKC-ASUJOLEISA-N 0 0 605.672 5.439 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409156880 1072592960 /nfs/dbraw/zinc/59/29/60/1072592960.db2.gz UCQRKVZFRUEXLL-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409156921 1072592963 /nfs/dbraw/zinc/59/29/63/1072592963.db2.gz UDYXWXJTQWPMNG-LSHDLFTRSA-N 0 0 635.960 6.521 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409156840 1072593784 /nfs/dbraw/zinc/59/37/84/1072593784.db2.gz PERNSHLNTNZKSX-FSJBWODESA-N 0 0 666.428 7.242 40 5 KKBBRN CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409156542 1072595166 /nfs/dbraw/zinc/59/51/66/1072595166.db2.gz OROSSPQKPDYCBD-CRCYZHLCSA-N 0 0 608.072 5.327 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409155938 1072597549 /nfs/dbraw/zinc/59/75/49/1072597549.db2.gz SCHONYGWJMDTIN-ZMOGYAJESA-N 0 0 615.586 7.096 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409155928 1072597556 /nfs/dbraw/zinc/59/75/56/1072597556.db2.gz JHYUCZAXECTNMC-FSJBWODESA-N 0 0 564.532 5.287 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409155924 1072597649 /nfs/dbraw/zinc/59/76/49/1072597649.db2.gz JHTVHQZHUNXTPX-LSHDLFTRSA-N 0 0 635.960 6.521 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409155722 1072598027 /nfs/dbraw/zinc/59/80/27/1072598027.db2.gz MIFAPEXOFLNQLN-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409155333 1072600452 /nfs/dbraw/zinc/60/04/52/1072600452.db2.gz QSDXJQPQCWOEFX-SRZZPIQSSA-N 0 0 552.590 5.188 40 5 KKBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409361353 1072601220 /nfs/dbraw/zinc/60/12/20/1072601220.db2.gz GZQBKWFRZNIAEM-UHFFFAOYSA-N 0 0 593.232 5.353 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409154322 1072607232 /nfs/dbraw/zinc/60/72/32/1072607232.db2.gz NOAPBRKPOZZZKH-RGVLZGJSSA-N 0 0 585.392 5.228 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409154065 1072608820 /nfs/dbraw/zinc/60/88/20/1072608820.db2.gz FSUQAYGURIBOAB-UCQKPKSFSA-N 0 0 517.563 5.466 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409153884 1072609209 /nfs/dbraw/zinc/60/92/09/1072609209.db2.gz IUIQDWXQGVZCDW-MSXFZWOLSA-N 0 0 674.913 6.441 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409153639 1072611436 /nfs/dbraw/zinc/61/14/36/1072611436.db2.gz IMGZNLQNLRBADP-DHRITJCHSA-N 0 0 685.067 6.589 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409153158 1072613519 /nfs/dbraw/zinc/61/35/19/1072613519.db2.gz HININCINBXIZBE-RGVLZGJSSA-N 0 0 515.341 5.862 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359094 1072615189 /nfs/dbraw/zinc/61/51/89/1072615189.db2.gz MLAJIWLEGBRMSA-HWANIQDNSA-N 0 0 663.752 6.146 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409152913 1072616419 /nfs/dbraw/zinc/61/64/19/1072616419.db2.gz GMAPVUMERVKXTQ-ZMOGYAJESA-N 0 0 565.629 5.579 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409151187 1072624409 /nfs/dbraw/zinc/62/44/09/1072624409.db2.gz GYUBZHUMJRKAKJ-JFLMPSFJSA-N 0 0 654.097 6.468 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409150833 1072627231 /nfs/dbraw/zinc/62/72/31/1072627231.db2.gz DZXJSNHNXVPVGT-FSJBWODESA-N 0 0 605.522 6.619 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409149902 1072632015 /nfs/dbraw/zinc/63/20/15/1072632015.db2.gz UXYOFRUSLWGPFZ-QRQIAZFYSA-N 0 0 597.653 5.109 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 ZINC000409148572 1072641007 /nfs/dbraw/zinc/64/10/07/1072641007.db2.gz ZJSWCLNPTSSDQE-MUUNZHRXSA-N 0 0 558.432 6.727 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148166 1072643810 /nfs/dbraw/zinc/64/38/10/1072643810.db2.gz XMUYYDZYKFJGHE-QFIPXVFZSA-N 0 0 565.681 5.188 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148162 1072643865 /nfs/dbraw/zinc/64/38/65/1072643865.db2.gz XMUYYDZYKFJGHE-JOCHJYFZSA-N 0 0 565.681 5.188 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409148095 1072645394 /nfs/dbraw/zinc/64/53/94/1072645394.db2.gz OMUBCBYHBWUMSX-DHUJRADRSA-N 0 0 699.001 8.960 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147842 1072645841 /nfs/dbraw/zinc/64/58/41/1072645841.db2.gz ZPNDYJBQQRUQDB-DWSHBKIDSA-N 0 0 736.806 5.218 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409147539 1072648087 /nfs/dbraw/zinc/64/80/87/1072648087.db2.gz XDPQBCYCHUDCJX-LCQSEVKBSA-N 0 0 600.052 5.773 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409166133 1072650513 /nfs/dbraw/zinc/65/05/13/1072650513.db2.gz BOWYBAGMPYGEIJ-QRVIBDJDSA-N 0 0 521.551 5.545 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409164424 1072659981 /nfs/dbraw/zinc/65/99/81/1072659981.db2.gz IHJNIPURESUBCV-CIAFOILYSA-N 0 0 534.550 5.083 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000409368596 1072663753 /nfs/dbraw/zinc/66/37/53/1072663753.db2.gz DGDKOSLVVDVSKL-UHFFFAOYSA-N 0 0 526.456 5.430 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409163425 1072665360 /nfs/dbraw/zinc/66/53/60/1072665360.db2.gz RFVFWZBEKJNENZ-NRFANRHFSA-N 0 0 565.483 5.679 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409163283 1072665984 /nfs/dbraw/zinc/66/59/84/1072665984.db2.gz OVDNEOPDRNYWON-FSJBWODESA-N 0 0 564.532 5.287 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCCCC3)cc2Br)cc1 ZINC000409367606 1072669462 /nfs/dbraw/zinc/66/94/62/1072669462.db2.gz BLTKJUCHLWRCOL-UHFFFAOYSA-N 0 0 514.239 5.860 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409162397 1072671728 /nfs/dbraw/zinc/67/17/28/1072671728.db2.gz VBUCYLADPJSNMQ-UQDCTOEPSA-N 0 0 600.052 5.773 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409161929 1072674140 /nfs/dbraw/zinc/67/41/40/1072674140.db2.gz XCZZZHILTZMROU-UFKHLRDRSA-N 0 0 649.725 6.199 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409161903 1072674198 /nfs/dbraw/zinc/67/41/98/1072674198.db2.gz WTFNDIFBQMSTEP-ZMOGYAJESA-N 0 0 598.033 6.367 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409161274 1072677666 /nfs/dbraw/zinc/67/76/66/1072677666.db2.gz MCCHSNFLMXTCLS-JFLMPSFJSA-N 0 0 683.537 5.457 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409161257 1072677747 /nfs/dbraw/zinc/67/77/47/1072677747.db2.gz LNFQPBCTIYDYSX-SELCLYCASA-N 0 0 694.795 5.357 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000409160605 1072682428 /nfs/dbraw/zinc/68/24/28/1072682428.db2.gz UTSDFJNCVAPPDE-DWLKXISJSA-N 0 0 679.751 6.210 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl ZINC000409159791 1072686109 /nfs/dbraw/zinc/68/61/09/1072686109.db2.gz USBGDISTHBTCPW-DHRITJCHSA-N 0 0 626.043 5.688 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409159742 1072687142 /nfs/dbraw/zinc/68/71/42/1072687142.db2.gz WWIZSLODXCXTQM-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409157991 1072696361 /nfs/dbraw/zinc/69/63/61/1072696361.db2.gz WSMHJWMKPZEXIZ-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1 ZINC000409384386 1072698914 /nfs/dbraw/zinc/69/89/14/1072698914.db2.gz CAFYXJTXKQPFJN-KEBDBYFISA-N 0 0 746.273 5.999 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176753 1072706790 /nfs/dbraw/zinc/70/67/90/1072706790.db2.gz WQHJEGTYLSTEHW-KOHOJCOXSA-N 0 0 619.699 5.747 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000409176308 1072707530 /nfs/dbraw/zinc/70/75/30/1072707530.db2.gz KBQMMDIOWGMMQR-MUUNZHRXSA-N 0 0 534.524 5.793 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177017 1072708110 /nfs/dbraw/zinc/70/81/10/1072708110.db2.gz ASVLANKCTYJOOE-SANMLTNESA-N 0 0 535.961 5.862 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409176965 1072709388 /nfs/dbraw/zinc/70/93/88/1072709388.db2.gz CNZYCWZBBNZESP-XMMPIXPASA-N 0 0 500.429 5.500 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1C ZINC000409177012 1072709856 /nfs/dbraw/zinc/70/98/56/1072709856.db2.gz APPSQQBMZHXBMC-UHFFFAOYSA-N 0 0 504.542 7.576 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409176603 1072710195 /nfs/dbraw/zinc/71/01/95/1072710195.db2.gz SLFLUIOWPTYAQP-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409176430 1072710695 /nfs/dbraw/zinc/71/06/95/1072710695.db2.gz NAVUEXCCEHGJSO-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409176463 1072711156 /nfs/dbraw/zinc/71/11/56/1072711156.db2.gz ODPSDXFQFRONMT-UHFFFAOYSA-N 0 0 502.504 6.804 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000409175739 1072714343 /nfs/dbraw/zinc/71/43/43/1072714343.db2.gz BNLQKLYOZAPCIT-UHFFFAOYSA-N 0 0 562.456 6.564 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 ZINC000409174689 1072720011 /nfs/dbraw/zinc/72/00/11/1072720011.db2.gz UCEMSQGFOSRFIN-UHFFFAOYSA-N 0 0 580.014 6.363 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCCC1 ZINC000409379683 1072721256 /nfs/dbraw/zinc/72/12/56/1072721256.db2.gz ZMXFCUGDZYGELX-NDENLUEZSA-N 0 0 594.871 5.639 40 5 KKBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409394128 1072723581 /nfs/dbraw/zinc/72/35/81/1072723581.db2.gz WBYWPMCQWVTHSV-FMCGGJTJSA-N 0 0 613.433 5.174 40 5 KKBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409394226 1072723593 /nfs/dbraw/zinc/72/35/93/1072723593.db2.gz XJRPUTKRMASNFE-FMCGGJTJSA-N 0 0 521.982 5.223 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409173594 1072726681 /nfs/dbraw/zinc/72/66/81/1072726681.db2.gz MDDYYECTBFEWSX-UHFFFAOYSA-N 0 0 592.379 6.071 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409173375 1072727267 /nfs/dbraw/zinc/72/72/67/1072727267.db2.gz LMHYGPXEKJDLGN-AREMUKBSSA-N 0 0 514.515 6.435 40 5 KKBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409389034 1072734315 /nfs/dbraw/zinc/73/43/15/1072734315.db2.gz GBUZENWZXAAQPD-UHFFFAOYSA-N 0 0 514.394 5.804 40 5 KKBBRN Cc1cccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000409171904 1072736221 /nfs/dbraw/zinc/73/62/21/1072736221.db2.gz DFEKFUOJKALIML-HHHXNRCGSA-N 0 0 520.497 5.485 40 5 KKBBRN Nc1c(Br)cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Br ZINC000409171589 1072740011 /nfs/dbraw/zinc/74/00/11/1072740011.db2.gz ALDCSXKZIJPWFV-UHFFFAOYSA-N 0 0 522.149 5.851 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409171140 1072742405 /nfs/dbraw/zinc/74/24/05/1072742405.db2.gz ZIJMAAHTQDDZQR-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409170249 1072746588 /nfs/dbraw/zinc/74/65/88/1072746588.db2.gz UYUPNJFDGWCMNK-ZVHZXABRSA-N 0 0 568.007 5.901 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000409169452 1072749200 /nfs/dbraw/zinc/74/92/00/1072749200.db2.gz QXGQJWMGACNYPP-WYMPLXKRSA-N 0 0 628.457 5.629 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409169400 1072750725 /nfs/dbraw/zinc/75/07/25/1072750725.db2.gz QFXXJERFFCQYSH-NHDPSOOVSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409168878 1072752420 /nfs/dbraw/zinc/75/24/20/1072752420.db2.gz OEXQKHOPEWKUTH-SSDVNMTOSA-N 0 0 596.599 5.701 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)C2=O)o1 ZINC000409397954 1072753485 /nfs/dbraw/zinc/75/34/85/1072753485.db2.gz AJMYXSQEOLDIPO-NVMNQCDNSA-N 0 0 635.221 5.171 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168408 1072754454 /nfs/dbraw/zinc/75/44/54/1072754454.db2.gz RCODHFAHMRKRPB-UHFFFAOYSA-N 0 0 693.587 6.162 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409168236 1072756760 /nfs/dbraw/zinc/75/67/60/1072756760.db2.gz LTGKFBMTZKVVCQ-YDZHTSKRSA-N 0 0 594.558 5.378 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409402556 1072776238 /nfs/dbraw/zinc/77/62/38/1072776238.db2.gz WQLOBBQMEBFRNO-ZDLGFXPLSA-N 0 0 679.274 5.570 40 5 KKBBRN Cc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1C ZINC000409184187 1072778186 /nfs/dbraw/zinc/77/81/86/1072778186.db2.gz XWBFCCCVAUWVGF-UHFFFAOYSA-N 0 0 504.542 7.576 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409184167 1072779448 /nfs/dbraw/zinc/77/94/48/1072779448.db2.gz XPRICNDQUYESOD-MHZLTWQESA-N 0 0 546.373 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409183885 1072779519 /nfs/dbraw/zinc/77/95/19/1072779519.db2.gz WAFYYIGSRIJVGY-WYMPLXKRSA-N 0 0 568.007 5.819 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 ZINC000409183233 1072785292 /nfs/dbraw/zinc/78/52/92/1072785292.db2.gz SWQVBNRTEAVEQL-UHFFFAOYSA-N 0 0 545.931 6.608 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccccc3Cl)cc2Br)cc1 ZINC000409183275 1072785886 /nfs/dbraw/zinc/78/58/86/1072785886.db2.gz RBTOESVGWNPQRS-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409183060 1072786243 /nfs/dbraw/zinc/78/62/43/1072786243.db2.gz QVSWTHASOPAOQZ-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Oc3ccc(-c4cc(C(=O)OCc5ccccc5[N+](=O)[O-])c5ccccc5n4)cc3)cc2)nc2ccccc21 ZINC000409182963 1072787558 /nfs/dbraw/zinc/78/75/58/1072787558.db2.gz PQKDDIWJEUMNLE-UHFFFAOYSA-N 0 0 782.765 10.440 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409182666 1072789745 /nfs/dbraw/zinc/78/97/45/1072789745.db2.gz MVPJVLZDPYLLMD-YDZHTSKRSA-N 0 0 571.533 6.643 40 5 KKBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409182356 1072791428 /nfs/dbraw/zinc/79/14/28/1072791428.db2.gz KGGAOTWDHQTVCJ-MHZLTWQESA-N 0 0 536.496 5.185 40 5 KKBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409182029 1072793668 /nfs/dbraw/zinc/79/36/68/1072793668.db2.gz HQOIJPOPESRBOF-UHFFFAOYSA-N 0 0 596.957 5.821 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409181756 1072795194 /nfs/dbraw/zinc/79/51/94/1072795194.db2.gz DHQZMMIPZMGIGG-UHFFFAOYSA-N 0 0 675.141 5.209 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000409181676 1072796513 /nfs/dbraw/zinc/79/65/13/1072796513.db2.gz FYDXFGYLJOJPGE-UHFFFAOYSA-N 0 0 528.904 6.198 40 5 KKBBRN CCc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409181599 1072796927 /nfs/dbraw/zinc/79/69/27/1072796927.db2.gz DKRSUJWDCRKUMX-NDEPHWFRSA-N 0 0 534.524 5.739 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409181304 1072798859 /nfs/dbraw/zinc/79/88/59/1072798859.db2.gz AUGCPNRUSWJLTQ-SSDVNMTOSA-N 0 0 525.970 6.108 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409180874 1072802011 /nfs/dbraw/zinc/80/20/11/1072802011.db2.gz SZOZYBWJVROVNF-MHZLTWQESA-N 0 0 565.494 5.393 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409180661 1072803802 /nfs/dbraw/zinc/80/38/02/1072803802.db2.gz XWLQDVPZRFUVJY-UHFFFAOYSA-N 0 0 531.433 6.353 40 5 KKBBRN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409179657 1072808181 /nfs/dbraw/zinc/80/81/81/1072808181.db2.gz SHDHTVLHJWPSOD-UHFFFAOYSA-N 0 0 596.817 7.422 40 5 KKBBRN CCOC(=O)c1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)OCC)=C(C)N=4)o2)ccc1Cl ZINC000409179679 1072808243 /nfs/dbraw/zinc/80/82/43/1072808243.db2.gz UBPMVMWJFSGMKO-FQKMCRJQSA-N 0 0 636.082 5.105 40 5 KKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409179721 1072808587 /nfs/dbraw/zinc/80/85/87/1072808587.db2.gz SAEXHVBBWPGPSJ-UHFFFAOYSA-N 0 0 510.369 6.312 40 5 KKBBRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409179568 1072809664 /nfs/dbraw/zinc/80/96/64/1072809664.db2.gz QINKEHFMVAPMJP-UHFFFAOYSA-N 0 0 513.502 6.014 40 5 KKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409179064 1072811895 /nfs/dbraw/zinc/81/18/95/1072811895.db2.gz OXQINZBJJMULQM-UHFFFAOYSA-N 0 0 522.863 6.521 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000409178924 1072812772 /nfs/dbraw/zinc/81/27/72/1072812772.db2.gz KMQYXULMAJVQHO-JGCGQSQUSA-N 0 0 633.012 7.622 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409179194 1072812855 /nfs/dbraw/zinc/81/28/55/1072812855.db2.gz PSUKXPAESDSLJW-UHFFFAOYSA-N 0 0 508.486 5.350 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409179032 1072813620 /nfs/dbraw/zinc/81/36/20/1072813620.db2.gz MPBQXXWCPRSRAC-UHFFFAOYSA-N 0 0 567.381 7.068 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409178805 1072814194 /nfs/dbraw/zinc/81/41/94/1072814194.db2.gz NLSWAMPTLSQTOR-UHFFFAOYSA-N 0 0 665.452 8.100 40 5 KKBBRN Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409178890 1072814678 /nfs/dbraw/zinc/81/46/78/1072814678.db2.gz JLRSVCUYXNJURL-UHFFFAOYSA-N 0 0 513.289 5.050 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000409178876 1072814696 /nfs/dbraw/zinc/81/46/96/1072814696.db2.gz OCSRIRRKJYXMOS-UHFFFAOYSA-N 0 0 544.903 5.250 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000409178702 1072815204 /nfs/dbraw/zinc/81/52/04/1072815204.db2.gz HRIYQKHVJUDRMS-DHUJRADRSA-N 0 0 570.645 8.639 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409178757 1072815738 /nfs/dbraw/zinc/81/57/38/1072815738.db2.gz HYUYBVYAIAPFCW-UHFFFAOYSA-N 0 0 511.486 5.954 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409178371 1072816773 /nfs/dbraw/zinc/81/67/73/1072816773.db2.gz LMSXZGVAOBQEPF-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178398 1072817252 /nfs/dbraw/zinc/81/72/52/1072817252.db2.gz HHHDRNZWGFJCEM-MUUNZHRXSA-N 0 0 534.524 5.793 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178418 1072817341 /nfs/dbraw/zinc/81/73/41/1072817341.db2.gz HNPIESZMKPUNDW-JAYSWQADSA-N 0 0 622.497 5.346 40 5 KKBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177906 1072819342 /nfs/dbraw/zinc/81/93/42/1072819342.db2.gz DJJOWIFEFIQAQB-UHFFFAOYSA-N 0 0 501.278 5.033 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409178013 1072820381 /nfs/dbraw/zinc/82/03/81/1072820381.db2.gz FXJKUCHBRCQCEX-AFUMVMLFSA-N 0 0 640.512 6.627 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409177837 1072820890 /nfs/dbraw/zinc/82/08/90/1072820890.db2.gz HZMZUIYRNNQWQV-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409197267 1072826750 /nfs/dbraw/zinc/82/67/50/1072826750.db2.gz ADRPVBDWQVCJJY-RMORIDSASA-N 0 0 675.901 5.712 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409197028 1072827138 /nfs/dbraw/zinc/82/71/38/1072827138.db2.gz UHGBOZXAJSITKU-RNDVCUHJSA-N 0 0 554.499 5.793 40 5 KKBBRN COc1ccc(-c2s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409196852 1072829734 /nfs/dbraw/zinc/82/97/34/1072829734.db2.gz ZHYUQTLMAQMRAC-RFBIWTDZSA-N 0 0 509.971 5.741 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409195689 1072836172 /nfs/dbraw/zinc/83/61/72/1072836172.db2.gz VHNNYVALRVVVEF-QYXBQQPHSA-N 0 0 632.648 6.737 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409194703 1072841132 /nfs/dbraw/zinc/84/11/32/1072841132.db2.gz QQZMDITWOSNCDK-HDGMWEBWSA-N 0 0 549.333 5.329 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409194786 1072841455 /nfs/dbraw/zinc/84/14/55/1072841455.db2.gz RDBFTWRAUYUZTI-LPYMAVHISA-N 0 0 589.851 7.229 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409193813 1072847047 /nfs/dbraw/zinc/84/70/47/1072847047.db2.gz MTWMMMFKPBPPPB-INJWXVQMSA-N 0 0 753.646 5.967 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409192834 1072853242 /nfs/dbraw/zinc/85/32/42/1072853242.db2.gz FPWYVVNOQRUHFU-NCHPMYSESA-N 0 0 598.203 6.083 40 5 KKBBRN COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409192865 1072853714 /nfs/dbraw/zinc/85/37/14/1072853714.db2.gz GMSUIDSQIPFDDU-HFAHNTRXSA-N 0 0 549.333 5.329 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409192513 1072854678 /nfs/dbraw/zinc/85/46/78/1072854678.db2.gz YEQYHYUAUUELII-YVBHXKDBSA-N 0 0 796.125 6.561 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409192564 1072854917 /nfs/dbraw/zinc/85/49/17/1072854917.db2.gz CJQBOGJGBUHOSB-ASUJOLEISA-N 0 0 761.282 6.197 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192338 1072856869 /nfs/dbraw/zinc/85/68/69/1072856869.db2.gz AZGICBKTHLAROP-OGMUYLFESA-N 0 0 824.179 7.341 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409192022 1072858657 /nfs/dbraw/zinc/85/86/57/1072858657.db2.gz SLHQKXXTHYOOHU-XXNQQEORSA-N 0 0 799.674 6.816 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409191629 1072860034 /nfs/dbraw/zinc/86/00/34/1072860034.db2.gz JQRNJCJAQQSLRI-VZVSMJQGSA-N 0 0 794.359 7.257 40 5 KKBBRN COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409191499 1072862088 /nfs/dbraw/zinc/86/20/88/1072862088.db2.gz XONWODYQDWLKPO-HTMSNVIRSA-N 0 0 534.908 5.229 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000409191507 1072862097 /nfs/dbraw/zinc/86/20/97/1072862097.db2.gz XTORHXWXZQVYGI-JKYQMCTKSA-N 0 0 632.648 6.737 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000409191323 1072862483 /nfs/dbraw/zinc/86/24/83/1072862483.db2.gz VOAHNZDDJHZLSD-HGKZOJRLSA-N 0 0 504.882 5.220 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409191076 1072864754 /nfs/dbraw/zinc/86/47/54/1072864754.db2.gz SANGMCCBYFCVBI-NDENLUEZSA-N 0 0 522.897 5.219 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409190914 1072865665 /nfs/dbraw/zinc/86/56/65/1072865665.db2.gz BIFJYPCUKGOEGS-YNXJNZEASA-N 0 0 846.569 7.119 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409190913 1072865699 /nfs/dbraw/zinc/86/56/99/1072865699.db2.gz BIFJYPCUKGOEGS-DXTKDLSISA-N 0 0 846.569 7.119 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409190485 1072868978 /nfs/dbraw/zinc/86/89/78/1072868978.db2.gz OLLAUHORAJKLTM-NSFNGMEESA-N 0 0 564.304 5.229 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190548 1072869341 /nfs/dbraw/zinc/86/93/41/1072869341.db2.gz ZGJZPUNMIGUDPM-PLMBTIQCSA-N 0 0 758.644 7.164 40 5 KKBBRN COc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000409190316 1072869541 /nfs/dbraw/zinc/86/95/41/1072869541.db2.gz WRLHVGLIYZZWOW-GZAHHAHMSA-N 0 0 549.333 5.329 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409190201 1072871077 /nfs/dbraw/zinc/87/10/77/1072871077.db2.gz MNZJHVHBWRZVJF-GRSHGNNSSA-N 0 0 606.610 6.337 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Cl)cc1 ZINC000409190279 1072871499 /nfs/dbraw/zinc/87/14/99/1072871499.db2.gz RHVMJWBPFILBJH-GRSHGNNSSA-N 0 0 606.610 6.337 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409189013 1072878828 /nfs/dbraw/zinc/87/88/28/1072878828.db2.gz HCYZCDTWCJCGBW-OXDPQRGISA-N 0 0 755.665 7.087 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409188405 1072882032 /nfs/dbraw/zinc/88/20/32/1072882032.db2.gz HHOHQHUVJKRNLI-YVUMUJEDSA-N 0 0 504.882 5.220 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409188310 1072882382 /nfs/dbraw/zinc/88/23/82/1072882382.db2.gz GGYHICHXKZMMKW-RBMXVJLZSA-N 0 0 783.672 5.975 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409188347 1072883097 /nfs/dbraw/zinc/88/30/97/1072883097.db2.gz GXTFYFGJQWOHFJ-SYHWEURASA-N 0 0 519.307 5.321 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207026 1072888243 /nfs/dbraw/zinc/88/82/43/1072888243.db2.gz YZYJGZGNDGWKOU-KOEQRZSOSA-N 0 0 504.564 5.852 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Br)cc3)cc2Br)cc1 ZINC000409206838 1072888919 /nfs/dbraw/zinc/88/89/19/1072888919.db2.gz LZJQMLKGXLNHMV-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)cc1 ZINC000409206717 1072889795 /nfs/dbraw/zinc/88/97/95/1072889795.db2.gz WCVRAPMAVAZFFY-UCQKPKSFSA-N 0 0 564.576 5.255 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409205035 1072902073 /nfs/dbraw/zinc/90/20/73/1072902073.db2.gz NJNHUKAAUCRMRE-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1C ZINC000409204769 1072902138 /nfs/dbraw/zinc/90/21/38/1072902138.db2.gz JKOMHMQQUJJORC-MTJSOVHGSA-N 0 0 504.524 5.074 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409204250 1072906040 /nfs/dbraw/zinc/90/60/40/1072906040.db2.gz DZVGPXPXTMCVRL-FVUPAENESA-N 0 0 568.526 6.183 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409198474 1072930949 /nfs/dbraw/zinc/93/09/49/1072930949.db2.gz GLIQOGTVHODSQX-UWVJOHFNSA-N 0 0 586.837 6.187 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197917 1072932353 /nfs/dbraw/zinc/93/23/53/1072932353.db2.gz RWGZJOVVFBIIAD-OVVQPSECSA-N 0 0 681.565 5.720 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)C1=O ZINC000409197801 1072933407 /nfs/dbraw/zinc/93/34/07/1072933407.db2.gz PEHBDRYGEDPCDA-CIAFOILYSA-N 0 0 545.526 5.074 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409212683 1072958478 /nfs/dbraw/zinc/95/84/78/1072958478.db2.gz PHAWCWSPKMQTOS-WSDLNYQXSA-N 0 0 613.396 5.006 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409225758 1072977769 /nfs/dbraw/zinc/97/77/69/1072977769.db2.gz OPEYQQOGUGDODE-FOKLQQMPSA-N 0 0 664.893 6.803 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409225374 1072978328 /nfs/dbraw/zinc/97/83/28/1072978328.db2.gz PPCYCKJHEJGYGC-UFFVCSGVSA-N 0 0 529.933 5.939 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409224956 1072980734 /nfs/dbraw/zinc/98/07/34/1072980734.db2.gz MTWOYMSSAXPRTA-WYMPLXKRSA-N 0 0 585.997 6.040 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 ZINC000409224540 1072982884 /nfs/dbraw/zinc/98/28/84/1072982884.db2.gz KVURXUMLOHFHCK-CIAFOILYSA-N 0 0 526.368 5.126 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409224279 1072984421 /nfs/dbraw/zinc/98/44/21/1072984421.db2.gz KQOKVSIJDCLWMF-DJKKODMXSA-N 0 0 536.324 5.976 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409223459 1072987238 /nfs/dbraw/zinc/98/72/38/1072987238.db2.gz HTNUNZQUZPGQRB-WYMPLXKRSA-N 0 0 651.413 7.486 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409223148 1072990164 /nfs/dbraw/zinc/99/01/64/1072990164.db2.gz HFQBHODBLSPXJR-JMIUGGIZSA-N 0 0 558.931 5.258 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409220323 1073005499 /nfs/dbraw/zinc/00/54/99/1073005499.db2.gz WUDQATQPQVYHBP-AWQFTUOYSA-N 0 0 558.931 5.258 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409229626 1073019271 /nfs/dbraw/zinc/01/92/71/1073019271.db2.gz SAHFDAJGIXTNGS-YDZHTSKRSA-N 0 0 602.452 6.554 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409237258 1073033064 /nfs/dbraw/zinc/03/30/64/1073033064.db2.gz HNHWKUWNODNTIR-WOJGMQOQSA-N 0 0 507.362 5.391 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409236996 1073035001 /nfs/dbraw/zinc/03/50/01/1073035001.db2.gz UJKKKOFWEWUGND-YDZHTSKRSA-N 0 0 628.457 5.629 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409231283 1073066582 /nfs/dbraw/zinc/06/65/82/1073066582.db2.gz JPDURGVQNXGIQH-LPYMAVHISA-N 0 0 569.355 5.180 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409246442 1073076864 /nfs/dbraw/zinc/07/68/64/1073076864.db2.gz ILNBPHYPIPWVML-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409246289 1073077668 /nfs/dbraw/zinc/07/76/68/1073077668.db2.gz ALTXDARXARSJAI-YDZHTSKRSA-N 0 0 609.433 5.039 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409246212 1073078773 /nfs/dbraw/zinc/07/87/73/1073078773.db2.gz GLIHUZUBGFFZGU-XDHOZWIPSA-N 0 0 507.362 5.009 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409245788 1073080425 /nfs/dbraw/zinc/08/04/25/1073080425.db2.gz ZCQCJBCAKPUJPF-WOJGMQOQSA-N 0 0 507.362 5.391 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409245301 1073085140 /nfs/dbraw/zinc/08/51/40/1073085140.db2.gz QOWHTIXFPMWYMO-ZVHZXABRSA-N 0 0 689.484 5.861 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 ZINC000409244631 1073087279 /nfs/dbraw/zinc/08/72/79/1073087279.db2.gz GNVFGLWKKIGHQB-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409241150 1073103139 /nfs/dbraw/zinc/10/31/39/1073103139.db2.gz JBJUKABNSQLIJE-CIAFOILYSA-N 0 0 660.275 5.239 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409240298 1073109440 /nfs/dbraw/zinc/10/94/40/1073109440.db2.gz GIEHKTHUAAWUMK-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409238723 1073118949 /nfs/dbraw/zinc/11/89/49/1073118949.db2.gz BJCPKYPOWCBUGF-SSDVNMTOSA-N 0 0 616.421 5.759 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409238587 1073119873 /nfs/dbraw/zinc/11/98/73/1073119873.db2.gz KKKWDTUFRBUTFI-YDZHTSKRSA-N 0 0 559.427 7.116 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409250235 1073136416 /nfs/dbraw/zinc/13/64/16/1073136416.db2.gz QCDTVYWZQPMVBV-YDZHTSKRSA-N 0 0 566.408 5.736 40 5 KKBBRN COc1cc(C=O)ccc1OCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409256668 1073155765 /nfs/dbraw/zinc/15/57/65/1073155765.db2.gz MUZYYXDYZDLHNB-YSMPRRRNSA-N 0 0 564.572 5.119 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409262516 1073193450 /nfs/dbraw/zinc/19/34/50/1073193450.db2.gz FQCXUQFUKWQDGN-FSJBWODESA-N 0 0 601.406 6.003 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409262514 1073193486 /nfs/dbraw/zinc/19/34/86/1073193486.db2.gz HNZWIVYJFPGCTL-AFUMVMLFSA-N 0 0 687.512 6.469 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409266812 1073198396 /nfs/dbraw/zinc/19/83/96/1073198396.db2.gz YPGSYQIXBWHJAS-AWQFTUOYSA-N 0 0 604.475 5.396 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409266436 1073201992 /nfs/dbraw/zinc/20/19/92/1073201992.db2.gz YSXUVOHBIOCRLZ-FSJBWODESA-N 0 0 604.479 5.240 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000013924953 1073203135 /nfs/dbraw/zinc/20/31/35/1073203135.db2.gz NLTOCRDDFPBDOJ-NDENLUEZSA-N 0 0 509.312 5.289 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409265769 1073206206 /nfs/dbraw/zinc/20/62/06/1073206206.db2.gz OWDNYLJUJGBADC-LSHDLFTRSA-N 0 0 607.950 6.743 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409265072 1073207921 /nfs/dbraw/zinc/20/79/21/1073207921.db2.gz NOPPVMFZIUXWHJ-WYMPLXKRSA-N 0 0 707.930 6.814 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)CC1 ZINC000409263356 1073218138 /nfs/dbraw/zinc/21/81/38/1073218138.db2.gz IVNYRFJHUHEQBH-SRZZPIQSSA-N 0 0 628.423 6.463 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409261507 1073227269 /nfs/dbraw/zinc/22/72/69/1073227269.db2.gz CNXWPPVKWKBGQU-UFFVCSGVSA-N 0 0 618.502 5.786 40 5 KKBBRN COc1cc(C=O)ccc1OCc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 ZINC000409261034 1073230039 /nfs/dbraw/zinc/23/00/39/1073230039.db2.gz AGJZDOAQMMQOQS-KYHGBAKBSA-N 0 0 640.670 6.819 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409272366 1073254873 /nfs/dbraw/zinc/25/48/73/1073254873.db2.gz GGYXXYRWCLHFBJ-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOC(=O)c1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000409272479 1073255693 /nfs/dbraw/zinc/25/56/93/1073255693.db2.gz GXPDEACUVWWISU-WSDLNYQXSA-N 0 0 540.937 5.604 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409271876 1073260751 /nfs/dbraw/zinc/26/07/51/1073260751.db2.gz DNRRBOJBEIOTKR-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409271712 1073261921 /nfs/dbraw/zinc/26/19/21/1073261921.db2.gz LHLJVXNMSSHDNO-KEBDBYFISA-N 0 0 576.812 6.254 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409271396 1073264494 /nfs/dbraw/zinc/26/44/94/1073264494.db2.gz CIXJEPJGACNJJG-WYMPLXKRSA-N 0 0 569.542 5.526 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409271049 1073265128 /nfs/dbraw/zinc/26/51/28/1073265128.db2.gz IHNOKSOGQDDSPG-URFJJRPFSA-N 0 0 626.735 5.105 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270786 1073268003 /nfs/dbraw/zinc/26/80/03/1073268003.db2.gz ASWHCEGXNPZUOG-KEBDBYFISA-N 0 0 558.322 5.445 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270088 1073272143 /nfs/dbraw/zinc/27/21/43/1073272143.db2.gz FQSMVWJDWWGYHU-SSDVNMTOSA-N 0 0 573.461 6.233 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409270068 1073272898 /nfs/dbraw/zinc/27/28/98/1073272898.db2.gz FPBRWPHGKAQZNP-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409269805 1073274151 /nfs/dbraw/zinc/27/41/51/1073274151.db2.gz DZOPYUXOAWRIAR-WGARJPEWSA-N 0 0 529.549 5.965 40 5 KKBBRN CCN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409269458 1073277121 /nfs/dbraw/zinc/27/71/21/1073277121.db2.gz BVSMSPMKHCKDBZ-LZYBPNLTSA-N 0 0 517.279 6.225 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1C ZINC000409269389 1073277557 /nfs/dbraw/zinc/27/75/57/1073277557.db2.gz IOAGGUFEZRWNGG-ZVHZXABRSA-N 0 0 517.563 5.466 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409269040 1073280121 /nfs/dbraw/zinc/28/01/21/1073280121.db2.gz DFMGDLHJCACLTP-SRZZPIQSSA-N 0 0 543.941 5.200 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409276239 1073291004 /nfs/dbraw/zinc/29/10/04/1073291004.db2.gz ZDWCQHWURIQCIO-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)o1 ZINC000409276253 1073291057 /nfs/dbraw/zinc/29/10/57/1073291057.db2.gz ZLSREGWZKKNQAM-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cccs1 ZINC000409276264 1073291147 /nfs/dbraw/zinc/29/11/47/1073291147.db2.gz ZQVOOASMQGJCAJ-NLTKXKDSSA-N 0 0 614.749 5.142 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1C ZINC000409275931 1073294555 /nfs/dbraw/zinc/29/45/55/1073294555.db2.gz NBHDAKZSBWZOOK-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc2ccccc21 ZINC000409275872 1073295302 /nfs/dbraw/zinc/29/53/02/1073295302.db2.gz MIEZNRPJTPBEIL-WGOQTCKBSA-N 0 0 539.569 6.002 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409275797 1073296205 /nfs/dbraw/zinc/29/62/05/1073296205.db2.gz WYHPQGBQJXHSSZ-JAIQZWGSSA-N 0 0 543.479 5.266 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F ZINC000409275844 1073296745 /nfs/dbraw/zinc/29/67/45/1073296745.db2.gz LXSKZVPUYJKSHL-AFUMVMLFSA-N 0 0 536.537 5.631 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409275299 1073300560 /nfs/dbraw/zinc/30/05/60/1073300560.db2.gz UAODKYAREJHFQB-HMAPJEAMSA-N 0 0 511.625 5.349 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409274999 1073303611 /nfs/dbraw/zinc/30/36/11/1073303611.db2.gz RVHNNQGACLCYFH-LHMNITIUSA-N 0 0 654.814 5.802 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409274952 1073304711 /nfs/dbraw/zinc/30/47/11/1073304711.db2.gz RKQNLXHRWAIFAB-RQZCQDPDSA-N 0 0 531.306 6.615 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409274962 1073304792 /nfs/dbraw/zinc/30/47/92/1073304792.db2.gz HACFMXPZGQMYTJ-ZJOBTTRRSA-N 0 0 608.720 5.080 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409274604 1073309028 /nfs/dbraw/zinc/30/90/28/1073309028.db2.gz QGRLXNZHTZZFCD-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409274483 1073309359 /nfs/dbraw/zinc/30/93/59/1073309359.db2.gz DNIJFKUMLFUTSJ-OGLMXYFKSA-N 0 0 583.622 6.401 40 5 KKBBRN Cc1ccc(Cn2cc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1 ZINC000409274535 1073309760 /nfs/dbraw/zinc/30/97/60/1073309760.db2.gz PFMIJZPFWORXEB-WGARJPEWSA-N 0 0 511.559 5.825 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl ZINC000409274038 1073313921 /nfs/dbraw/zinc/31/39/21/1073313921.db2.gz UFPQWPRHGUCTIN-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409274060 1073314277 /nfs/dbraw/zinc/31/42/77/1073314277.db2.gz UOWOKIHQUNMBHB-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273863 1073317000 /nfs/dbraw/zinc/31/70/00/1073317000.db2.gz MFDWVVKEQLICTO-YDZHTSKRSA-N 0 0 519.491 5.001 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1C ZINC000409273580 1073319241 /nfs/dbraw/zinc/31/92/41/1073319241.db2.gz KDWJQGKSEKJDHE-FSJBWODESA-N 0 0 505.552 5.763 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273420 1073320128 /nfs/dbraw/zinc/32/01/28/1073320128.db2.gz QSUSOWBDFKJIFX-WYMPLXKRSA-N 0 0 583.962 6.267 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276908 1073324925 /nfs/dbraw/zinc/32/49/25/1073324925.db2.gz XVXDWJVSJXKRBC-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276592 1073327786 /nfs/dbraw/zinc/32/77/86/1073327786.db2.gz TWBJTXXFHODUTI-BRJLIKDPSA-N 0 0 549.967 6.310 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409276634 1073328152 /nfs/dbraw/zinc/32/81/52/1073328152.db2.gz UNKDRWZYKKBWQV-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409275640 1073332984 /nfs/dbraw/zinc/33/29/84/1073332984.db2.gz KWTMWJSXMFWLSH-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409273152 1073335300 /nfs/dbraw/zinc/33/53/00/1073335300.db2.gz PZVNCCDHFBBOBH-CAOOACKPSA-N 0 0 537.859 5.601 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409273213 1073335717 /nfs/dbraw/zinc/33/57/17/1073335717.db2.gz JEPGUWMYMGPSLY-FHQMNNMHSA-N 0 0 699.624 5.113 40 5 KKBBRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000059417119 193897156 /nfs/dbraw/zinc/89/71/56/193897156.db2.gz PIDYGXLGOUAGSD-UHFFFAOYSA-N 0 0 500.351 6.442 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222968971 193929247 /nfs/dbraw/zinc/92/92/47/193929247.db2.gz MMDIAIOQWLGAPS-MHZLTWQESA-N 0 0 635.570 5.080 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 ZINC000224517084 193957607 /nfs/dbraw/zinc/95/76/07/193957607.db2.gz RIVKPMNFSGWKSG-GOTSBHOMSA-N 0 0 521.396 6.189 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224509819 193953890 /nfs/dbraw/zinc/95/38/90/193953890.db2.gz SNWQPYFLDFOIPX-PKTZIBPZSA-N 0 0 521.396 6.189 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225540486 193973013 /nfs/dbraw/zinc/97/30/13/193973013.db2.gz NGVAPUISSKIOFC-CLJLJLNGSA-N 0 0 513.579 5.251 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225540410 193973017 /nfs/dbraw/zinc/97/30/17/193973017.db2.gz NGVAPUISSKIOFC-UIOOFZCWSA-N 0 0 513.579 5.251 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409049409 195496275 /nfs/dbraw/zinc/49/62/75/195496275.db2.gz QRYSVHPDPFHHNY-OGMUYLFESA-N 0 0 597.136 6.547 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409050649 195500524 /nfs/dbraw/zinc/50/05/24/195500524.db2.gz YDCSZYQXMDUSMT-ASZNLBCTSA-N 0 0 634.110 5.338 40 5 KKBBRN CC(=O)Nc1ccc(Oc2cc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc([N+](=O)[O-])c2)cc1 ZINC000000807081 551543421 /nfs/dbraw/zinc/54/34/21/551543421.db2.gz XCAZSNAWVWNZIJ-UHFFFAOYSA-N 0 0 517.464 5.078 40 5 KKBBRN CCOc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 ZINC000000855934 551550429 /nfs/dbraw/zinc/55/04/29/551550429.db2.gz UOFFKHBLOUBUFN-UHFFFAOYSA-N 0 0 564.480 6.162 40 5 KKBBRN CCOc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 ZINC000000869019 551553689 /nfs/dbraw/zinc/55/36/89/551553689.db2.gz LXAVTAWKVSPFFN-UHFFFAOYSA-N 0 0 532.626 5.534 40 5 KKBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000001316350 551640649 /nfs/dbraw/zinc/64/06/49/551640649.db2.gz WUEIGWUXFIVMAO-KCHLEUMXSA-N 0 0 549.539 5.174 40 5 KKBBRN Cc1cc(NCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc32)c2ccc([N+](=O)[O-])cc2n1 ZINC000001561190 551684343 /nfs/dbraw/zinc/68/43/43/551684343.db2.gz SERWLEHIUCZSFH-UHFFFAOYSA-N 0 0 502.575 6.691 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc(OCc3ccccc3)c2)cc1/C=C/c1cccc(OCc2ccccc2)c1 ZINC000001714467 551690354 /nfs/dbraw/zinc/69/03/54/551690354.db2.gz ZBBKRYQXGLTDAZ-XPWSMXQVSA-N 0 0 584.628 9.002 40 5 KKBBRN O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001858993 551716593 /nfs/dbraw/zinc/71/65/93/551716593.db2.gz IMKONSUJWMBMGT-UHFFFAOYSA-N 0 0 566.114 5.466 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3-c3ccccc3-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 ZINC000002030241 551736791 /nfs/dbraw/zinc/73/67/91/551736791.db2.gz LSEWUOCWTDBQJO-UHFFFAOYSA-N 0 0 532.472 6.604 40 5 KKBBRN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3F)nc2O1 ZINC000002094222 551760282 /nfs/dbraw/zinc/76/02/82/551760282.db2.gz PPXCLEIRMCXKJJ-HSZRJFAPSA-N 0 0 505.531 5.780 40 5 KKBBRN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002675125 552153841 /nfs/dbraw/zinc/15/38/41/552153841.db2.gz KLNKSOYWALCNTD-UHFFFAOYSA-N 0 0 506.996 6.686 40 5 KKBBRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000002798514 552193132 /nfs/dbraw/zinc/19/31/32/552193132.db2.gz JYQCFWMZVFQMEV-MRXNPFEDSA-N 0 0 540.523 6.982 40 5 KKBBRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000002798688 552193200 /nfs/dbraw/zinc/19/32/00/552193200.db2.gz NTTSYSSGMPEJDS-GFCCVEGCSA-N 0 0 546.449 6.131 40 5 KKBBRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000002799041 552193392 /nfs/dbraw/zinc/19/33/92/552193392.db2.gz KKADNYKWOPGFTK-MRXNPFEDSA-N 0 0 524.524 6.857 40 5 KKBBRN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cc(Sc4nc5ccccc5s4)cc([N+](=O)[O-])c3)cc12 ZINC000003099213 552287932 /nfs/dbraw/zinc/28/79/32/552287932.db2.gz BHBIYVAUHOXSGH-UHFFFAOYSA-N 0 0 564.692 8.228 40 5 KKBBRN O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003195779 552303153 /nfs/dbraw/zinc/30/31/53/552303153.db2.gz RQFLYPIUXHFWRV-UHFFFAOYSA-N 0 0 532.459 5.877 40 5 KKBBRN BrC(Br)(Br)c1ccc2cc3ccc(C(Br)(Br)Br)nc3cc2n1 ZINC000004235293 552451500 /nfs/dbraw/zinc/45/15/00/552451500.db2.gz AIDQZXMXQSTXHH-UHFFFAOYSA-N 0 0 681.640 7.373 40 5 KKBBRN COC(=O)CCc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5C)c([C@@H]1C[C@@H]1C(=O)OC)c4C)c([C@@H]1C[C@@H]1C(=O)OC)c3C ZINC000004769270 552481163 /nfs/dbraw/zinc/48/11/63/552481163.db2.gz VEFZRFBFJHKRJW-VIJSPRBVSA-N 0 0 734.850 6.868 40 5 KKBBRN Cn1c2cc(Cl)c(Cl)cc2nc2cc3c(cc21)c(Cl)c(=O)c1cc2cc(Cl)c(Cl)cc2cc31 ZINC000004774358 552481466 /nfs/dbraw/zinc/48/14/66/552481466.db2.gz WIUBNKTVLKDEQN-UHFFFAOYSA-N 0 0 532.641 8.813 40 5 KKBBRN COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1c(c2Cc1c2ccc(OC)c(OC)c2c2c(OC)c(OC)cc4c2c1N(C)CC4)N(C)CC3 ZINC000005224333 552495152 /nfs/dbraw/zinc/49/51/52/552495152.db2.gz RUOFHNQGXSNLHB-UHFFFAOYSA-N 0 0 718.847 7.944 40 5 KKBBRN CCc1c(C)c2cc3nc(c4c(C(=O)OC)c(=O)c5c(C)c(cc6[nH]c(cc1[nH]2)c(C=O)c6CC)[nH]c5-4)[C@H](CCC(=O)OC)[C@@H]3C ZINC000005742794 552508645 /nfs/dbraw/zinc/50/86/45/552508645.db2.gz SRYLBVVSGTUXQR-XKVYXGRUSA-N 0 0 622.722 6.440 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]23)C1=O ZINC000005957607 552517576 /nfs/dbraw/zinc/51/75/76/552517576.db2.gz KJUKQSBCDHJAIR-JKQCNGOWSA-N 0 0 501.583 5.918 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006089470 552531744 /nfs/dbraw/zinc/53/17/44/552531744.db2.gz KPIUGXHGAVMOMJ-UHFFFAOYSA-N 0 0 537.623 5.428 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006297618 552579703 /nfs/dbraw/zinc/57/97/03/552579703.db2.gz NCYYCPGALCXTQA-UHFFFAOYSA-N 0 0 615.968 5.406 40 5 KKBBRN Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 ZINC000006442641 552584972 /nfs/dbraw/zinc/58/49/72/552584972.db2.gz IGFBGANUIVKQMO-LJQANCHMSA-N 0 0 502.600 5.524 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000006600329 552602523 /nfs/dbraw/zinc/60/25/23/552602523.db2.gz CCAHQAJPVNJKTH-UHFFFAOYSA-N 0 0 528.587 5.934 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000008754128 553135782 /nfs/dbraw/zinc/13/57/82/553135782.db2.gz YTCMZVKJLJTOIT-OEAKJJBVSA-N 0 0 524.982 6.462 40 5 KKBBRN O=[N+]([O-])c1cc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc([N+](=O)[O-])c1 ZINC000008781287 553144574 /nfs/dbraw/zinc/14/45/74/553144574.db2.gz RAKLLMZJNHGYEW-UHFFFAOYSA-N 0 0 501.480 6.167 40 5 KKBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCc1c[nH]c2ccccc12 ZINC000008792355 553147731 /nfs/dbraw/zinc/14/77/31/553147731.db2.gz YNALEBZPGHPNGU-GOSISDBHSA-N 0 0 500.558 5.199 40 5 biogenic KKBBRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008833158 553159574 /nfs/dbraw/zinc/15/95/74/553159574.db2.gz LGCMQGQBVKFGOY-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008835361 553161994 /nfs/dbraw/zinc/16/19/94/553161994.db2.gz SDBOXSQMBYGPKL-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1Cl ZINC000008898710 553180377 /nfs/dbraw/zinc/18/03/77/553180377.db2.gz VZCVYABHZDMWIE-UHFFFAOYSA-N 0 0 507.201 5.553 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008899977 553181160 /nfs/dbraw/zinc/18/11/60/553181160.db2.gz GIMXLPCASXIUCZ-UHFFFAOYSA-N 0 0 512.953 7.062 40 5 KKBBRN COc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3sc(C)c(C)c3c2=O)cc1 ZINC000009058526 553204928 /nfs/dbraw/zinc/20/49/28/553204928.db2.gz UHHUKWFNIFNZNL-UHFFFAOYSA-N 0 0 510.597 5.020 40 5 KKBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000010010304 553325670 /nfs/dbraw/zinc/32/56/70/553325670.db2.gz DJPODFGTLRCSCE-JLHYYAGUSA-N 0 0 516.539 5.244 40 5 KKBBRN CC(C)(C)c1cc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000010041913 553326988 /nfs/dbraw/zinc/32/69/88/553326988.db2.gz FRHATIIXHPNCBV-NDEPHWFRSA-N 0 0 530.621 6.087 40 5 KKBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC ZINC000010120251 553329974 /nfs/dbraw/zinc/32/99/74/553329974.db2.gz KVLNVOUFDOGVGF-UHFFFAOYSA-N 0 0 515.478 5.941 40 5 KKBBRN Cc1c(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000010433817 553336244 /nfs/dbraw/zinc/33/62/44/553336244.db2.gz VOVUZXIYLFIPJH-UHFFFAOYSA-N 0 0 508.383 5.429 40 5 KKBBRN O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000013304044 553458103 /nfs/dbraw/zinc/45/81/03/553458103.db2.gz BYNGFEAQWOAKGI-AWEZNQCLSA-N 0 0 512.202 5.157 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014277956 553510446 /nfs/dbraw/zinc/51/04/46/553510446.db2.gz KFADESFSSUDEDS-SFHVURJKSA-N 0 0 500.555 6.005 40 5 KKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277766 553510465 /nfs/dbraw/zinc/51/04/65/553510465.db2.gz FEEJSYKBJQKJAH-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014278284 553510772 /nfs/dbraw/zinc/51/07/72/553510772.db2.gz XDQZXURELGDNHP-UHFFFAOYSA-N 0 0 501.498 7.582 40 5 KKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000014278484 553510988 /nfs/dbraw/zinc/51/09/88/553510988.db2.gz BJQCMERJRCQPCZ-UHFFFAOYSA-N 0 0 506.950 5.152 40 5 KKBBRN Cc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000014406300 553515643 /nfs/dbraw/zinc/51/56/43/553515643.db2.gz ARWOFDCRQYZLKA-UHFFFAOYSA-N 0 0 508.397 7.017 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000014879955 553520714 /nfs/dbraw/zinc/52/07/14/553520714.db2.gz KBPHJBAIARWVSC-JUUKCSAQSA-N 0 0 568.886 10.403 40 5 KKBBRN CC(C)(C)c1ccc(-c2c3[nH]c4ccccc4c3c(-c3ccc(C(C)(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000015024300 553527089 /nfs/dbraw/zinc/52/70/89/553527089.db2.gz CYRQUAASMCCCKH-UHFFFAOYSA-N 0 0 520.720 10.885 40 5 KKBBRN COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000016250138 553557910 /nfs/dbraw/zinc/55/79/10/553557910.db2.gz FNXYJFMUWTWNDC-UHFFFAOYSA-N 0 0 504.524 5.037 40 5 KKBBRN CC(=O)c1ccc(Nc2nc(C=Cc3cccc([N+](=O)[O-])c3)cc(C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000016321958 553560054 /nfs/dbraw/zinc/56/00/54/553560054.db2.gz XUHXRRMOBRHDRK-QHKWOANTSA-N 0 0 507.506 6.580 40 5 KKBBRN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016385971 553562073 /nfs/dbraw/zinc/56/20/73/553562073.db2.gz KJAYUDQBSBNYOB-UHFFFAOYSA-N 0 0 514.287 6.143 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000016399270 553562440 /nfs/dbraw/zinc/56/24/40/553562440.db2.gz OAFSUZWLLTTXGQ-JWQCQUIFSA-N 0 0 500.507 5.424 40 5 KKBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000016401728 553562841 /nfs/dbraw/zinc/56/28/41/553562841.db2.gz SLXHHNJUAYBDEO-PERMLSPLSA-N 0 0 516.937 5.931 40 5 KKBBRN O=C(Nc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1ccc(Cl)cc1 ZINC000016428423 553563147 /nfs/dbraw/zinc/56/31/47/553563147.db2.gz OZRUXHLTSKFTBH-UHFFFAOYSA-N 0 0 504.330 5.576 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000016611031 553569517 /nfs/dbraw/zinc/56/95/17/553569517.db2.gz XBZNDBBCTSUCDU-INIZCTEOSA-N 0 0 504.568 5.809 40 5 KKBBRN O=C(c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1)c1cc2ccccc2c2ccccc12 ZINC000017064243 553587537 /nfs/dbraw/zinc/58/75/37/553587537.db2.gz DPJVZCMMGQJRGC-MUUNZHRXSA-N 0 0 516.641 5.786 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000068583023 553592098 /nfs/dbraw/zinc/59/20/98/553592098.db2.gz VGJLTZJDWUGPKF-CSKPTYFESA-N 0 0 554.194 5.005 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]23)C1=O ZINC000018066686 553603106 /nfs/dbraw/zinc/60/31/06/553603106.db2.gz KJUKQSBCDHJAIR-WYYWNUCKSA-N 0 0 501.583 5.918 40 5 KKBBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc3ccccc3c3ccccc32)cc1 ZINC000019325916 553613472 /nfs/dbraw/zinc/61/34/72/553613472.db2.gz SJGWTCJHWTXHEO-UHFFFAOYSA-N 0 0 502.658 7.417 40 5 KKBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6ccc(C(C)C)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708292 553632605 /nfs/dbraw/zinc/63/26/05/553632605.db2.gz DVSRLCIFJGFHNW-SFHVURJKSA-N 0 0 535.600 6.139 40 5 biogenic KKBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)CC2)cc1 ZINC000020528408 553669122 /nfs/dbraw/zinc/66/91/22/553669122.db2.gz JTRZHIAVBYZYBU-UHFFFAOYSA-N 0 0 524.577 5.632 40 5 KKBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000021005658 553705629 /nfs/dbraw/zinc/70/56/29/553705629.db2.gz QEGPNGOYJNQYRL-XMMPIXPASA-N 0 0 504.930 5.596 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000021305729 553709418 /nfs/dbraw/zinc/70/94/18/553709418.db2.gz VWUPILVZFRUSSV-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)CC1 ZINC000021576513 553712773 /nfs/dbraw/zinc/71/27/73/553712773.db2.gz YWZVRDLKJDGPAC-UHFFFAOYSA-N 0 0 521.426 5.817 40 5 KKBBRN O=C(Nc1cccc2c(=O)c3c4[nH]c5c(cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c56)c4ccc3c(=O)c12)c1ccccc1 ZINC000095866659 553714214 /nfs/dbraw/zinc/71/42/14/553714214.db2.gz AAKMSGQPNUGLAZ-UHFFFAOYSA-N 0 0 665.661 6.755 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)cc1 ZINC000021595608 553714943 /nfs/dbraw/zinc/71/49/43/553714943.db2.gz RVFZSUSXPXAZEA-UHFFFAOYSA-N 0 0 507.999 7.265 40 5 KKBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000022257643 553733402 /nfs/dbraw/zinc/73/34/02/553733402.db2.gz OSSGCUIQJRNACS-UHFFFAOYSA-N 0 0 519.385 6.000 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)cc1 ZINC000022822877 553751865 /nfs/dbraw/zinc/75/18/65/553751865.db2.gz WKTMAKYGAUWDBP-UHFFFAOYSA-N 0 0 500.599 6.387 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000022832103 553755559 /nfs/dbraw/zinc/75/55/59/553755559.db2.gz PLDNNGPMQXABDJ-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000022833456 553756001 /nfs/dbraw/zinc/75/60/01/553756001.db2.gz KBFLTUNTTHUWBQ-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022837129 553757399 /nfs/dbraw/zinc/75/73/99/553757399.db2.gz WICJCNQDRJPZIE-UHFFFAOYSA-N 0 0 512.975 5.004 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022837380 553757411 /nfs/dbraw/zinc/75/74/11/553757411.db2.gz VPTFEONIPGVRQI-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022843980 553759590 /nfs/dbraw/zinc/75/95/90/553759590.db2.gz BXDAATRVZZGIDE-CQSZACIVSA-N 0 0 519.539 5.952 40 5 KKBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3Cl)CC2)cc1 ZINC000022847437 553760717 /nfs/dbraw/zinc/76/07/17/553760717.db2.gz ZHKVDMKQDSOTTF-UHFFFAOYSA-N 0 0 522.989 5.252 40 5 KKBBRN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000024522653 553790862 /nfs/dbraw/zinc/79/08/62/553790862.db2.gz OUDMDUJTGMSBBJ-UHFFFAOYSA-N 0 0 510.937 7.211 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@H](c5ccc(Cl)cc5)N6)nc34)c21 ZINC000097948657 553795510 /nfs/dbraw/zinc/79/55/10/553795510.db2.gz TYEULRFKICCMPX-CJNGLKHVSA-N 0 0 590.969 7.310 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] ZINC000032114915 553864105 /nfs/dbraw/zinc/86/41/05/553864105.db2.gz RMYBHBCYGWLAOA-UHFFFAOYSA-N 0 0 518.551 5.427 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115299 553864325 /nfs/dbraw/zinc/86/43/25/553864325.db2.gz GAOGESQFLXHYAU-UHFFFAOYSA-N 0 0 508.943 5.682 40 5 KKBBRN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034703706 553993159 /nfs/dbraw/zinc/99/31/59/553993159.db2.gz DJEVXKNIEMLERP-UHFFFAOYSA-N 0 0 500.599 5.127 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097983851 554012342 /nfs/dbraw/zinc/01/23/42/554012342.db2.gz ZOESZJOOIKSZAE-ZHPYGUFWSA-N 0 0 680.397 7.393 40 5 KKBBRN O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097984078 554013811 /nfs/dbraw/zinc/01/38/11/554013811.db2.gz NRERLGVASAWBHW-MNRRPXAHSA-N 0 0 613.699 9.095 40 5 KKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147459 554036089 /nfs/dbraw/zinc/03/60/89/554036089.db2.gz ZZRCKEOUYOLDIC-AREMUKBSSA-N 0 0 512.522 5.310 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 ZINC000098006817 554062445 /nfs/dbraw/zinc/06/24/45/554062445.db2.gz YUBUBTHBZIIYES-GMQJOBGYSA-N 0 0 662.698 6.801 40 5 KKBBRN O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000100053312 554195309 /nfs/dbraw/zinc/19/53/09/554195309.db2.gz QFFRUDKBZNZJIJ-KGJXQKDRSA-N 0 0 554.646 8.304 40 5 KKBBRN Cc1cccc(C)c1-n1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(-c1c(C)cccc1C)c5=O ZINC000100091106 554211485 /nfs/dbraw/zinc/21/14/85/554211485.db2.gz NJOMGKAERDOZHP-UHFFFAOYSA-N 0 0 598.658 7.175 40 5 KKBBRN Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] ZINC000100140573 554227598 /nfs/dbraw/zinc/22/75/98/554227598.db2.gz CZNSMTDXTYYCJM-OBDCIHEFSA-N 0 0 580.065 6.449 40 5 KKBBRN c1c2nc(cc3[nH]c(cc4[nH]c(cc5nc1-c1ccccc1-5)c1ccccc41)c1ccccc31)-c1ccccc1-2 ZINC000100216194 554250716 /nfs/dbraw/zinc/25/07/16/554250716.db2.gz GZEFZLXJPGMRSP-UHFFFAOYSA-N 0 0 510.600 9.289 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000100239260 554259996 /nfs/dbraw/zinc/25/99/96/554259996.db2.gz IPNOEJKGVICOJE-INXMUBLWSA-N 0 0 543.620 5.146 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000038204002 554274421 /nfs/dbraw/zinc/27/44/21/554274421.db2.gz HXVRMIWYMBDCEM-KKBLXHKSSA-N 0 0 522.605 5.868 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000040717550 554287651 /nfs/dbraw/zinc/28/76/51/554287651.db2.gz DUGCBGQEAUWQIP-FYWRMAATSA-N 0 0 502.571 5.201 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100301765 554291637 /nfs/dbraw/zinc/29/16/37/554291637.db2.gz ABLXMMKTNUJXHU-UHFFFAOYSA-N 0 0 553.394 5.791 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000100325822 554309851 /nfs/dbraw/zinc/30/98/51/554309851.db2.gz AOUXKVVFHLDKPG-UHFFFAOYSA-N 0 0 532.626 5.505 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c1)C2=O ZINC000100354739 554334295 /nfs/dbraw/zinc/33/42/95/554334295.db2.gz YDTYJUCAJSONLY-UHFFFAOYSA-N 0 0 559.534 6.401 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000100360828 554344114 /nfs/dbraw/zinc/34/41/14/554344114.db2.gz ZWOVVDXJEUXYDL-UHFFFAOYSA-N 0 0 553.044 5.850 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100367242 554353588 /nfs/dbraw/zinc/35/35/88/554353588.db2.gz WQQHGRADRAJVNQ-QTTRZTASSA-N 0 0 606.125 5.820 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000057313080 554353772 /nfs/dbraw/zinc/35/37/72/554353772.db2.gz HJPOKNKAZRTJJS-UHFFFAOYSA-N 0 0 520.977 5.479 40 5 KKBBRN O=c1/c(=C\c2cccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000058833933 554365804 /nfs/dbraw/zinc/36/58/04/554365804.db2.gz UPUYQILOTAFOAH-PQRKSKNISA-N 0 0 515.594 5.380 40 5 KKBBRN O=c1/c(=C\c2cccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000058833932 554365854 /nfs/dbraw/zinc/36/58/54/554365854.db2.gz UPUYQILOTAFOAH-NNAGEYCMSA-N 0 0 515.594 5.380 40 5 KKBBRN O=c1/c(=C/c2c3ccccc3cc3ccccc32)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000058865367 554370476 /nfs/dbraw/zinc/37/04/76/554370476.db2.gz DBIUZRFKNPZGIQ-AZJUONQGSA-N 0 0 520.657 6.625 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331441 554388697 /nfs/dbraw/zinc/38/86/97/554388697.db2.gz RMHDPBVIFGGZLY-UHFFFAOYSA-N 0 0 517.636 5.989 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)c(C)c1 ZINC000059331866 554391937 /nfs/dbraw/zinc/39/19/37/554391937.db2.gz VOJXLHVFEQTMHV-UHFFFAOYSA-N 0 0 524.581 6.304 40 5 KKBBRN O=C1C(=Cc2cccc(Oc3ccccc3)c2)N[C@@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100476586 554400918 /nfs/dbraw/zinc/40/09/18/554400918.db2.gz IZZJOGGSFAXDJS-SUAMDDGLSA-N 0 0 532.383 7.370 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000059651955 554419280 /nfs/dbraw/zinc/41/92/80/554419280.db2.gz JJKPRRUEKLTZNY-PGUFJCEWSA-N 0 0 616.649 7.113 40 5 KKBBRN O=[N+]([O-])c1ccc(CSc2ccc(Sc3ccc(SCc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000059662313 554420641 /nfs/dbraw/zinc/42/06/41/554420641.db2.gz JADIWGNXCRGRFF-UHFFFAOYSA-N 0 0 520.657 8.239 40 5 KKBBRN O=C(Nc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1cccc2ccccc21 ZINC000059663335 554421538 /nfs/dbraw/zinc/42/15/38/554421538.db2.gz HAJNWOOEFPWFMC-UHFFFAOYSA-N 0 0 535.560 6.576 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000100816048 554476465 /nfs/dbraw/zinc/47/64/65/554476465.db2.gz NDDWDIUNRULTLD-FSSWDIPSSA-N 0 0 555.996 5.154 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059953625 554484197 /nfs/dbraw/zinc/48/41/97/554484197.db2.gz XYKILRGRBPKPRK-UHFFFAOYSA-N 0 0 615.833 5.004 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000060016172 554486669 /nfs/dbraw/zinc/48/66/69/554486669.db2.gz MKLBTODIWSEACZ-UHFFFAOYSA-N 0 0 586.670 5.979 40 5 KKBBRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000060060236 554498700 /nfs/dbraw/zinc/49/87/00/554498700.db2.gz DWIQIAVTQUBMTD-NRFANRHFSA-N 0 0 532.018 5.028 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100949411 554537079 /nfs/dbraw/zinc/53/70/79/554537079.db2.gz UUMGVPAVMBFNCK-VPHSIRQSSA-N 0 0 613.095 5.363 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000100954370 554538617 /nfs/dbraw/zinc/53/86/17/554538617.db2.gz LYTOEOVZZRLRSY-FUFNRSNVSA-N 0 0 615.042 5.835 40 5 KKBBRN CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCCCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C ZINC000068568395 554539316 /nfs/dbraw/zinc/53/93/16/554539316.db2.gz VAHUBMLZUAXGRK-UHFFFAOYSA-N 0 0 518.744 10.170 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100983403 554548227 /nfs/dbraw/zinc/54/82/27/554548227.db2.gz FYJZSTHYPIYGTO-GSDHBNRESA-N 0 0 511.559 5.370 40 5 KKBBRN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000101058395 554569879 /nfs/dbraw/zinc/56/98/79/554569879.db2.gz DXGXVWOJBPXARL-UHFFFAOYSA-N 0 0 557.378 5.650 40 5 KKBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1 ZINC000101128623 554646942 /nfs/dbraw/zinc/64/69/42/554646942.db2.gz KEIOUNZRSOINTR-PKTNWEFCSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000101148767 554656757 /nfs/dbraw/zinc/65/67/57/554656757.db2.gz NTNWNVKBOZXWKY-UHFFFAOYSA-N 0 0 602.422 6.265 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000101513165 554793398 /nfs/dbraw/zinc/79/33/98/554793398.db2.gz ODVUFQBIYPEETO-ULNSLHSMSA-N 0 0 579.565 5.182 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000101529648 554794598 /nfs/dbraw/zinc/79/45/98/554794598.db2.gz XFILOKFZRPTWTH-SLGZMBILSA-N 0 0 623.662 6.412 40 5 KKBBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589851 554801907 /nfs/dbraw/zinc/80/19/07/554801907.db2.gz XIRUWOOZGAGXCD-IZJWOVIGSA-N 0 0 599.599 5.502 40 5 KKBBRN COCCOC(=O)c1c(C)n(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2c1cc(O)c1ccccc21 ZINC000101646087 554815526 /nfs/dbraw/zinc/81/55/26/554815526.db2.gz JGOJTBPAOBXZOE-UHFFFAOYSA-N 0 0 531.487 5.651 40 5 biogenic,in-vitro KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000102191028 554894101 /nfs/dbraw/zinc/89/41/01/554894101.db2.gz SHEJUFCNSNOQPC-MRXMROIASA-N 0 0 611.698 7.040 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(Cl)cc2)cc1 ZINC000102581363 554972580 /nfs/dbraw/zinc/97/25/80/554972580.db2.gz MHNHFLSOPLXJKQ-UHFFFAOYSA-N 0 0 537.797 5.837 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102609697 554980835 /nfs/dbraw/zinc/98/08/35/554980835.db2.gz XZAZIBRNSBYXEZ-VEEOACQBSA-N 0 0 593.481 7.699 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000102628824 554988691 /nfs/dbraw/zinc/98/86/91/554988691.db2.gz RPTFWEDLWJOHIX-UHFFFAOYSA-N 0 0 565.003 6.120 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1c1ccc(Cl)cc1 ZINC000102710030 555016132 /nfs/dbraw/zinc/01/61/32/555016132.db2.gz ACWZLUCEXNVHEH-SDHSZQHLSA-N 0 0 531.977 6.028 40 5 KKBBRN Oc1c2c(c(O)n1-c1ccc(Cl)cc1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2 ZINC000102738715 555027423 /nfs/dbraw/zinc/02/74/23/555027423.db2.gz XOGFVUWLFDJLNB-ULNSLHSMSA-N 0 0 504.973 6.698 40 5 KKBBRN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2 ZINC000102739770 555028699 /nfs/dbraw/zinc/02/86/99/555028699.db2.gz JWHXOMINVDSPGA-AWCRTANDSA-N 0 0 539.418 7.351 40 5 KKBBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000102869541 555099178 /nfs/dbraw/zinc/09/91/78/555099178.db2.gz KNSZFXQHZICIMJ-XRNKBYASSA-N 0 0 589.670 5.645 40 5 KKBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102896312 555136030 /nfs/dbraw/zinc/13/60/30/555136030.db2.gz LBNYTRPIGAZBEM-AWCRTANDSA-N 0 0 579.565 5.182 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102896825 555136819 /nfs/dbraw/zinc/13/68/19/555136819.db2.gz BBUWHNWAKLCWMN-PVHODMMVSA-N 0 0 569.957 5.519 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)C/C2=C/c1cccs1 ZINC000103082020 555261048 /nfs/dbraw/zinc/26/10/48/555261048.db2.gz XFUTULXEMAAZEY-QAQBCRODSA-N 0 0 599.709 7.546 40 5 KKBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000103179668 555328758 /nfs/dbraw/zinc/32/87/58/555328758.db2.gz OKFBKUZRCISHQN-POIJPHIMSA-N 0 0 537.403 5.887 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103356429 555363962 /nfs/dbraw/zinc/36/39/62/555363962.db2.gz LYCCOGMSIYGCNJ-JGTYQCAFSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103526431 555428739 /nfs/dbraw/zinc/42/87/39/555428739.db2.gz CBXSBQLRTDYRMY-ACZXLBTNSA-N 0 0 585.616 5.975 40 5 KKBBRN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103527148 555429087 /nfs/dbraw/zinc/42/90/87/555429087.db2.gz AFMJNMFGJOBXNT-YCHSVXFSSA-N 0 0 571.589 5.585 40 5 KKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103533421 555433743 /nfs/dbraw/zinc/43/37/43/555433743.db2.gz ZYXGEGNZIYMEEU-NIKYWZLZSA-N 0 0 555.590 5.885 40 5 KKBBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103538975 555437393 /nfs/dbraw/zinc/43/73/93/555437393.db2.gz WIXOSKXCILXJHS-DZDVJMQSSA-N 0 0 576.008 6.230 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 ZINC000103542974 555439313 /nfs/dbraw/zinc/43/93/13/555439313.db2.gz BGAHJQLDWMQREK-VGBJTSDXSA-N 0 0 556.578 5.236 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103547665 555441627 /nfs/dbraw/zinc/44/16/27/555441627.db2.gz PNPZEWJZMSIVKO-CDACFMRSSA-N 0 0 590.035 6.494 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000103554061 555445474 /nfs/dbraw/zinc/44/54/74/555445474.db2.gz PPCVFMUUBPASDY-NAQGONTDSA-N 0 0 561.619 5.903 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103555990 555446186 /nfs/dbraw/zinc/44/61/86/555446186.db2.gz IIGHFBBSFNYSHR-IDSQFFPFSA-N 0 0 545.551 5.434 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103557905 555446917 /nfs/dbraw/zinc/44/69/17/555446917.db2.gz DPAPWPGRWVQXGD-IANDGLOUSA-N 0 0 573.580 5.980 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103570243 555450707 /nfs/dbraw/zinc/45/07/07/555450707.db2.gz ARFPDNHPVKDBPQ-GQPDOWDHSA-N 0 0 541.563 5.451 40 5 KKBBRN C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000103698172 555463800 /nfs/dbraw/zinc/46/38/00/555463800.db2.gz MAFNTTGKPRINDX-HUUCEWRRSA-N 0 0 575.257 6.102 40 5 KKBBRN CCOc1ccc2nc(Sc3ccc(C4N(c5ccccc5)CCN4c4ccccc4)cc3[N+](=O)[O-])sc2c1 ZINC000103745968 555466452 /nfs/dbraw/zinc/46/64/52/555466452.db2.gz VDPFCEQJGJHWAM-UHFFFAOYSA-N 0 0 554.697 7.780 40 5 KKBBRN O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000103763823 555472166 /nfs/dbraw/zinc/47/21/66/555472166.db2.gz ADKAWDYNFPHBOF-YTTGMZPUSA-N 0 0 611.691 6.716 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000103765555 555472977 /nfs/dbraw/zinc/47/29/77/555472977.db2.gz MYVYACXJOSCERF-UHFFFAOYSA-N 0 0 525.567 6.133 40 5 KKBBRN CC(C)C1=CC=C(C2=NN(c3ccccc3)[C@@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 ZINC000103768778 555474213 /nfs/dbraw/zinc/47/42/13/555474213.db2.gz VHGMPCQPLYGMQR-BHVANESWSA-N 0 0 597.744 8.847 40 5 KKBBRN CCC1=CC=C(C2=NN(c3ccccc3)[C@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 ZINC000103768774 555474217 /nfs/dbraw/zinc/47/42/17/555474217.db2.gz XCKPCQDTIVZQBZ-PGUFJCEWSA-N 0 0 583.717 8.601 40 5 KKBBRN CCc1ccc(C2(c3ccc(CC)cc3)S[C@]3(SC(C(C)=O)=NN3c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000103768831 555474246 /nfs/dbraw/zinc/47/42/46/555474246.db2.gz XQLQOVCLORZWBT-MGBGTMOVSA-N 0 0 579.747 8.025 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000103781235 555476201 /nfs/dbraw/zinc/47/62/01/555476201.db2.gz NSPFDSOJLFTBKC-ITNPZBTBSA-N 0 0 579.609 5.635 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000103781181 555476339 /nfs/dbraw/zinc/47/63/39/555476339.db2.gz RFPFKJNGXXHQNO-LCQSEVKBSA-N 0 0 567.648 5.557 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790348 555480094 /nfs/dbraw/zinc/48/00/94/555480094.db2.gz INIFXUCWWRTAOC-UNDLXJOSSA-N 0 0 597.693 5.409 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000103790738 555480380 /nfs/dbraw/zinc/48/03/80/555480380.db2.gz LGIIUPUVDIILQP-KEPJHFNWSA-N 0 0 565.676 6.165 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)sc2=N1 ZINC000103826950 555482939 /nfs/dbraw/zinc/48/29/39/555482939.db2.gz UPXVFEGZRSZFAQ-PKYOQBLNSA-N 0 0 617.680 5.072 40 5 KKBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222523417 571366935 /nfs/dbraw/zinc/36/69/35/571366935.db2.gz YUVLWDPAJRFBPH-GDLZYMKVSA-N 0 0 529.637 5.235 40 5 KKBBRN O=C(CSCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)Nc1ccccc1 ZINC000103892720 571368745 /nfs/dbraw/zinc/36/87/45/571368745.db2.gz XAHMMMYSCDJTKC-UHFFFAOYSA-N 0 0 524.649 5.807 40 5 KKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(Br)cc3Br)nc21 ZINC000104244653 571377804 /nfs/dbraw/zinc/37/78/04/571377804.db2.gz UWJKHHDDYOTEDA-UHFFFAOYSA-N 0 0 531.182 5.064 40 5 KKBBRN O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000103892710 571368764 /nfs/dbraw/zinc/36/87/64/571368764.db2.gz HNFPUMVTTFHZBK-UHFFFAOYSA-N 0 0 549.663 5.262 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3c4ccc5ccccc5c4C=C[C@H]23)C1O ZINC000103918476 571369498 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O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32 ZINC000104430866 571380992 /nfs/dbraw/zinc/38/09/92/571380992.db2.gz KNYBFVJHFJXHPL-SSEXGKCCSA-N 0 0 535.563 6.856 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@@H]2CCC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000104479985 571381108 /nfs/dbraw/zinc/38/11/08/571381108.db2.gz QBUVUUDXKYKDED-VOIIDZAXSA-N 0 0 538.605 5.954 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000104479988 571381132 /nfs/dbraw/zinc/38/11/32/571381132.db2.gz QBUVUUDXKYKDED-MIFVJVCISA-N 0 0 538.605 5.954 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000104492695 571381214 /nfs/dbraw/zinc/38/12/14/571381214.db2.gz ILAFRGKUXZOLLG-UHFFFAOYSA-N 0 0 616.881 5.782 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1Br ZINC000104488807 571381269 /nfs/dbraw/zinc/38/12/69/571381269.db2.gz 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ZINC000222675696 571383012 /nfs/dbraw/zinc/38/30/12/571383012.db2.gz NYSJXIMTZUPVGZ-AREMUKBSSA-N 0 0 508.018 5.203 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654911 571383447 /nfs/dbraw/zinc/38/34/47/571383447.db2.gz KLZBPPZKQZJNAX-JLHDDXNDSA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104655664 571383773 /nfs/dbraw/zinc/38/37/73/571383773.db2.gz WKDJRGUTKKHTKG-FVUNBJOLSA-N 0 0 589.673 6.112 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656645 571383967 /nfs/dbraw/zinc/38/39/67/571383967.db2.gz YEQPRZFGLXDFDV-JLKMOJGBSA-N 0 0 561.619 5.496 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656838 571384125 /nfs/dbraw/zinc/38/41/25/571384125.db2.gz VRBJLGOZCBDMDZ-OBDCIHEFSA-N 0 0 596.064 6.149 40 5 KKBBRN 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O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105222952 571392215 /nfs/dbraw/zinc/39/22/15/571392215.db2.gz YYPCROSYCXKLHM-UHFFFAOYSA-N 0 0 518.765 7.830 40 5 KKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1Cl ZINC000105223346 571392324 /nfs/dbraw/zinc/39/23/24/571392324.db2.gz LSZXFMIOPGCCDD-WYMLVPIESA-N 0 0 523.998 6.903 40 5 KKBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105302737 571392663 /nfs/dbraw/zinc/39/26/63/571392663.db2.gz ADPBYIGYCBGXOQ-UHFFFAOYSA-N 0 0 575.905 7.344 40 5 KKBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000105303871 571392951 /nfs/dbraw/zinc/39/29/51/571392951.db2.gz JIXDDOXDRHJJQT-UHFFFAOYSA-N 0 0 539.828 5.652 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 ZINC000105304581 571393269 /nfs/dbraw/zinc/39/32/69/571393269.db2.gz AVIVKGVYSOXTSZ-UHFFFAOYSA-N 0 0 561.019 7.567 40 5 KKBBRN 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571417164 /nfs/dbraw/zinc/41/71/64/571417164.db2.gz RLQDHHWSDNXUAJ-QFEZKATASA-N 0 0 517.994 6.796 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740941 571417245 /nfs/dbraw/zinc/41/72/45/571417245.db2.gz DTCLXDUZGFQIOW-NTFVMDSBSA-N 0 0 519.582 6.988 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1Cl ZINC000106743219 571417388 /nfs/dbraw/zinc/41/73/88/571417388.db2.gz KESDWALPTODVIE-XKZIYDEJSA-N 0 0 524.938 5.713 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745646 571417427 /nfs/dbraw/zinc/41/74/27/571417427.db2.gz KSPLZQMNROGOFY-NTFVMDSBSA-N 0 0 519.582 6.988 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000106745432 571417504 /nfs/dbraw/zinc/41/75/04/571417504.db2.gz PJSNXPOJRGEBOE-XKZIYDEJSA-N 0 0 602.406 6.024 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222970678 571418451 /nfs/dbraw/zinc/41/84/51/571418451.db2.gz MBPDEYLJZOBUJN-XIFFEERXSA-N 0 0 776.139 7.480 40 5 KKBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222992607 571419944 /nfs/dbraw/zinc/41/99/44/571419944.db2.gz ICKUCLOMIXDMJV-LJQANCHMSA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl ZINC000108293192 571423005 /nfs/dbraw/zinc/42/30/05/571423005.db2.gz QRKZCNGEDXZPCF-UHFFFAOYSA-N 0 0 548.968 5.378 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000108973480 571427916 /nfs/dbraw/zinc/42/79/16/571427916.db2.gz IKSUBIQFECKOBV-UHFFFAOYSA-N 0 0 588.517 5.989 40 5 KKBBRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000110337819 571431043 /nfs/dbraw/zinc/43/10/43/571431043.db2.gz OSGZTZOVBBHINM-UHFFFAOYSA-N 0 0 540.605 6.058 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223111956 571432518 /nfs/dbraw/zinc/43/25/18/571432518.db2.gz CGWKIRAGQBMITJ-NHCUHLMSSA-N 0 0 649.141 5.232 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)c1 ZINC000111468268 571432603 /nfs/dbraw/zinc/43/26/03/571432603.db2.gz FQPDBJAPBNRVAS-LAUBZIAYSA-N 0 0 592.633 5.051 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223112011 571432690 /nfs/dbraw/zinc/43/26/90/571432690.db2.gz CGWKIRAGQBMITJ-LEWJYISDSA-N 0 0 649.141 5.232 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000111469414 571432750 /nfs/dbraw/zinc/43/27/50/571432750.db2.gz HPTTWIIYPYLLJZ-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000111469920 571432907 /nfs/dbraw/zinc/43/29/07/571432907.db2.gz IFTAHEZWDSHDPX-POKSHJSXSA-N 0 0 621.671 5.421 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000111469963 571432946 /nfs/dbraw/zinc/43/29/46/571432946.db2.gz IBSOWKDWOFEXFI-GBIJUZDQSA-N 0 0 595.608 5.243 40 5 KKBBRN C=c1c(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)sc(=Nc2ccccc2)n1Cc1ccc(C(C)=O)cc1 ZINC000111504720 571433509 /nfs/dbraw/zinc/43/35/09/571433509.db2.gz UHDUGADWSSNARD-GNIUMMFRSA-N 0 0 520.614 5.297 40 5 KKBBRN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000112228990 571433927 /nfs/dbraw/zinc/43/39/27/571433927.db2.gz BKAIGVOHKNDJNY-UHFFFAOYSA-N 0 0 545.621 5.237 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl ZINC000112230000 571433995 /nfs/dbraw/zinc/43/39/95/571433995.db2.gz YIWBKCQCTSFNQR-RMKNXTFCSA-N 0 0 520.792 6.106 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231682 571434224 /nfs/dbraw/zinc/43/42/24/571434224.db2.gz HBTNCTMFGZBFCM-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000112232235 571434376 /nfs/dbraw/zinc/43/43/76/571434376.db2.gz DIDWIKUPDDKIKR-UHFFFAOYSA-N 0 0 538.935 5.364 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112237075 571434651 /nfs/dbraw/zinc/43/46/51/571434651.db2.gz UHAKCYCJXWQREF-UHFFFAOYSA-N 0 0 570.343 5.097 40 5 KKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 ZINC000112237450 571434792 /nfs/dbraw/zinc/43/47/92/571434792.db2.gz WNHVRXPTSAECOP-UHFFFAOYSA-N 0 0 566.039 5.582 40 5 KKBBRN Cc1cc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c(C)c1 ZINC000112237537 571434845 /nfs/dbraw/zinc/43/48/45/571434845.db2.gz YNORDNHIKRCOQP-UHFFFAOYSA-N 0 0 566.039 5.637 40 5 KKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000112240085 571435052 /nfs/dbraw/zinc/43/50/52/571435052.db2.gz PHVXLYXODNRDDA-UHFFFAOYSA-N 0 0 552.012 5.328 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000112244681 571435567 /nfs/dbraw/zinc/43/55/67/571435567.db2.gz AWYRDDPXZVQLLL-UHFFFAOYSA-N 0 0 573.380 6.017 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000112244366 571435606 /nfs/dbraw/zinc/43/56/06/571435606.db2.gz HUZDKFRAUPOQDN-UHFFFAOYSA-N 0 0 580.066 6.143 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000112253091 571436593 /nfs/dbraw/zinc/43/65/93/571436593.db2.gz HNHPDMLSXPRRQC-UHFFFAOYSA-N 0 0 550.464 5.965 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223171812 571440328 /nfs/dbraw/zinc/44/03/28/571440328.db2.gz VIQFTCXJQLNCQQ-NHCUHLMSSA-N 0 0 710.047 5.855 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223216581 571446407 /nfs/dbraw/zinc/44/64/07/571446407.db2.gz PNWLGVRNSUMTOA-NRFANRHFSA-N 0 0 665.596 5.748 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223248526 571450426 /nfs/dbraw/zinc/45/04/26/571450426.db2.gz CIEQEBKJZQVRFX-AREMUKBSSA-N 0 0 659.205 5.791 40 5 KKBBRN Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C ZINC000138720251 571451896 /nfs/dbraw/zinc/45/18/96/571451896.db2.gz WTROKIMYYZAZIE-UHFFFAOYSA-N 0 0 505.527 5.213 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000138820091 571452245 /nfs/dbraw/zinc/45/22/45/571452245.db2.gz YKQVMMHYRZHZKD-FZDFQQAASA-N 0 0 608.448 5.807 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223272889 571453149 /nfs/dbraw/zinc/45/31/49/571453149.db2.gz KFOMJQMRECYROD-RUZDIDTESA-N 0 0 526.058 5.258 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000139819111 571453961 /nfs/dbraw/zinc/45/39/61/571453961.db2.gz RQYHDACXIAQQCL-QHCPKHFHSA-N 0 0 579.708 5.496 40 5 KKBBRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C(C)C ZINC000223278974 571454039 /nfs/dbraw/zinc/45/40/39/571454039.db2.gz XXTLTDLUHVIQGB-HXUWFJFHSA-N 0 0 525.627 5.108 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000139954434 571454269 /nfs/dbraw/zinc/45/42/69/571454269.db2.gz DXSCQBNCXPNSLH-DDIUQFJASA-N 0 0 591.645 5.504 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223290024 571455634 /nfs/dbraw/zinc/45/56/34/571455634.db2.gz KTEUYAPTGCJBTQ-NDEPHWFRSA-N 0 0 624.760 5.138 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223291582 571455961 /nfs/dbraw/zinc/45/59/61/571455961.db2.gz LOXQXMOVLWOOBE-YTTGMZPUSA-N 0 0 679.195 5.537 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223292603 571456123 /nfs/dbraw/zinc/45/61/23/571456123.db2.gz HEZAWFFVBAGPSO-FQEVSTJZSA-N 0 0 621.543 5.431 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000150342270 571458556 /nfs/dbraw/zinc/45/85/56/571458556.db2.gz GTWCJTCLUDDBKZ-ITIZVALFSA-N 0 0 658.914 5.391 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223326860 571461040 /nfs/dbraw/zinc/46/10/40/571461040.db2.gz UHLNJSGNBCWVKB-ZORMNXRFSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223338391 571462564 /nfs/dbraw/zinc/46/25/64/571462564.db2.gz BVXRMNCQAKEIRX-JADSYQMUSA-N 0 0 686.831 5.970 40 5 KKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc([N+](=O)[O-])cc6C5=O)cc4)cc3)cc2)cc1 ZINC000150354178 571462969 /nfs/dbraw/zinc/46/29/69/571462969.db2.gz VONLGGQFKGDCCA-UHFFFAOYSA-N 0 0 782.699 7.522 40 5 KKBBRN O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000150361488 571463905 /nfs/dbraw/zinc/46/39/05/571463905.db2.gz IJTANGJQVDVKFH-SCLDVKORSA-N 0 0 689.761 7.450 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000150362855 571464090 /nfs/dbraw/zinc/46/40/90/571464090.db2.gz VMAQFJFSBJWACY-FHQMNNMHSA-N 0 0 735.479 7.392 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150363043 571464269 /nfs/dbraw/zinc/46/42/69/571464269.db2.gz CUMLXZZKDSPGAI-WGJPBTIMSA-N 0 0 698.595 6.990 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150364898 571464490 /nfs/dbraw/zinc/46/44/90/571464490.db2.gz GCDWSLBGMAWZLS-DXUGRCAZSA-N 0 0 762.025 7.073 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223370885 571466917 /nfs/dbraw/zinc/46/69/17/571466917.db2.gz SZWMPMONSQHRSK-SSEXGKCCSA-N 0 0 635.142 5.220 40 5 KKBBRN CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] ZINC000150383089 571467592 /nfs/dbraw/zinc/46/75/92/571467592.db2.gz ZQGXUHFEYQBNHR-MPQUPPDSSA-N 0 0 776.981 7.471 40 5 KKBBRN COc1ccc(COc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000150383427 571467811 /nfs/dbraw/zinc/46/78/11/571467811.db2.gz MNIDALKYTKSYDD-UHFFFAOYSA-N 0 0 636.501 8.273 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223379745 571468346 /nfs/dbraw/zinc/46/83/46/571468346.db2.gz RSTBWDRPYBNXTO-HHHXNRCGSA-N 0 0 645.178 5.483 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000150385005 571468584 /nfs/dbraw/zinc/46/85/84/571468584.db2.gz LGBXMXIWGPCAJA-DJKKODMXSA-N 0 0 678.664 8.825 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223382842 571468891 /nfs/dbraw/zinc/46/88/91/571468891.db2.gz NHPJVZXDPVIXEG-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150385992 571469145 /nfs/dbraw/zinc/46/91/45/571469145.db2.gz GZYIAZDEPOGTMP-WSDLNYQXSA-N 0 0 636.851 6.677 40 5 KKBBRN 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40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150395274 571475903 /nfs/dbraw/zinc/47/59/03/571475903.db2.gz VLWHNFWIJGYTOG-WGJPBTIMSA-N 0 0 635.698 5.729 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150395617 571476023 /nfs/dbraw/zinc/47/60/23/571476023.db2.gz ATKDEBKBEUKMJD-FABFSAKGSA-N 0 0 672.115 5.774 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150395570 571476035 /nfs/dbraw/zinc/47/60/35/571476035.db2.gz LWLPWJZQAWOHQO-KUSDHMTMSA-N 0 0 653.738 5.834 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150395620 571476058 /nfs/dbraw/zinc/47/60/58/571476058.db2.gz ATKDEBKBEUKMJD-CTHKJOMYSA-N 0 0 672.115 5.774 40 5 KKBBRN 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ZINC000150396608 571476579 /nfs/dbraw/zinc/47/65/79/571476579.db2.gz HZYVGWLNGJBTNY-FWESEHMYSA-N 0 0 658.157 6.479 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223457709 571479401 /nfs/dbraw/zinc/47/94/01/571479401.db2.gz WTGTWANLYBOWGH-SANMLTNESA-N 0 0 635.570 5.819 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224118739 571479601 /nfs/dbraw/zinc/47/96/01/571479601.db2.gz XOLMZQDRBFYJRH-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN O=C(Nc1ccc(OCc2ccc(COc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150407806 571480385 /nfs/dbraw/zinc/48/03/85/571480385.db2.gz LFVOVAXDOFHITH-UHFFFAOYSA-N 0 0 708.596 6.982 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224130846 571482637 /nfs/dbraw/zinc/48/26/37/571482637.db2.gz XCQAMKJSESBLMJ-UMSFTDKQSA-N 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C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 ZINC000224150277 571486753 /nfs/dbraw/zinc/48/67/53/571486753.db2.gz MGMKJOBUQKZAJZ-CIGLBZRHSA-N 0 0 588.133 7.563 40 5 KKBBRN C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 ZINC000224150328 571486864 /nfs/dbraw/zinc/48/68/64/571486864.db2.gz MGMKJOBUQKZAJZ-BLQAFSTQSA-N 0 0 588.133 7.563 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224157266 571487860 /nfs/dbraw/zinc/48/78/60/571487860.db2.gz ADRUCLGZSBDDHS-SANMLTNESA-N 0 0 540.085 5.648 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224158865 571488002 /nfs/dbraw/zinc/48/80/02/571488002.db2.gz GQMJLZRSGJUAQS-QHCPKHFHSA-N 0 0 645.178 5.258 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223505313 571488567 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KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223548676 571499412 /nfs/dbraw/zinc/49/94/12/571499412.db2.gz NDOVHZLZYYGXPA-VWLOTQADSA-N 0 0 570.509 5.367 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224223077 571500565 /nfs/dbraw/zinc/50/05/65/571500565.db2.gz BGPCVFGQWVRBQM-JGCGQSQUSA-N 0 0 727.667 6.580 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223561059 571502187 /nfs/dbraw/zinc/50/21/87/571502187.db2.gz KQZFTNTUEWPBEZ-HHHXNRCGSA-N 0 0 679.623 6.136 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150455397 571504334 /nfs/dbraw/zinc/50/43/34/571504334.db2.gz ATAIZPFFRSOAOR-FMCGGJTJSA-N 0 0 619.471 5.679 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224246347 571505303 /nfs/dbraw/zinc/50/53/03/571505303.db2.gz CGVOPIPHFCZGJU-SANMLTNESA-N 0 0 540.085 5.648 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150463894 571507421 /nfs/dbraw/zinc/50/74/21/571507421.db2.gz MZWBPUFVXPHMGJ-NHDPSOOVSA-N 0 0 638.721 7.589 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150465040 571507614 /nfs/dbraw/zinc/50/76/14/571507614.db2.gz SWGUGTJYKMHCBY-FBHDLOMBSA-N 0 0 624.347 7.313 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223587010 571508294 /nfs/dbraw/zinc/50/82/94/571508294.db2.gz OGWIOCDSFXNQQA-AREMUKBSSA-N 0 0 645.178 5.484 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150468549 571508508 /nfs/dbraw/zinc/50/85/08/571508508.db2.gz PQPMGDRKAKCHQS-FMCGGJTJSA-N 0 0 666.471 5.521 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223595966 571510086 /nfs/dbraw/zinc/51/00/86/571510086.db2.gz UUIXIMWAIQHFEQ-XMMPIXPASA-N 0 0 514.409 5.220 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223601433 571511268 /nfs/dbraw/zinc/51/12/68/571511268.db2.gz ISKSDLFVXZHDON-JIPXPUAJSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223602876 571511784 /nfs/dbraw/zinc/51/17/84/571511784.db2.gz POMKOXPBVOIZKA-FQRUVTKNSA-N 0 0 508.018 5.346 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224285355 571513498 /nfs/dbraw/zinc/51/34/98/571513498.db2.gz NXMYTWBYVYMNEN-QHCPKHFHSA-N 0 0 504.052 5.348 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224289749 571514270 /nfs/dbraw/zinc/51/42/70/571514270.db2.gz FZCFLIFKCOSRER-SANMLTNESA-N 0 0 523.630 5.133 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224295633 571515931 /nfs/dbraw/zinc/51/59/31/571515931.db2.gz PUEXBLWMZUQBDZ-HKBQPEDESA-N 0 0 632.714 5.096 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223631704 571517120 /nfs/dbraw/zinc/51/71/20/571517120.db2.gz SSPQVKACSVQSBD-DEOSSOPVSA-N 0 0 560.434 5.065 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000150491720 571517159 /nfs/dbraw/zinc/51/71/59/571517159.db2.gz OGSKAFLVUXPSOC-YSMPRRRNSA-N 0 0 640.139 7.340 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224306719 571518506 /nfs/dbraw/zinc/51/85/06/571518506.db2.gz GLWBOZYVAVIQTB-XIFFEERXSA-N 0 0 676.767 5.413 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223640974 571518787 /nfs/dbraw/zinc/51/87/87/571518787.db2.gz MRXQEFYLVSPNFT-DEOSSOPVSA-N 0 0 514.409 5.220 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223640908 571518850 /nfs/dbraw/zinc/51/88/50/571518850.db2.gz MRXQEFYLVSPNFT-XMMPIXPASA-N 0 0 514.409 5.220 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224310534 571519342 /nfs/dbraw/zinc/51/93/42/571519342.db2.gz HKZSXMCNYKQZRC-YTTGMZPUSA-N 0 0 711.212 6.066 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223646259 571519975 /nfs/dbraw/zinc/51/99/75/571519975.db2.gz ZMOQGIHSNRUBDN-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223653108 571521012 /nfs/dbraw/zinc/52/10/12/571521012.db2.gz ACNJEEAABLZPAL-SANMLTNESA-N 0 0 675.204 5.491 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223663333 571522814 /nfs/dbraw/zinc/52/28/14/571522814.db2.gz WMODAVUHSFJBDY-WJOKGBTCSA-N 0 0 748.085 6.844 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224346749 571527229 /nfs/dbraw/zinc/52/72/29/571527229.db2.gz MVGDGIJXTRWTBY-MHZLTWQESA-N 0 0 691.634 6.280 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224346804 571527491 /nfs/dbraw/zinc/52/74/91/571527491.db2.gz MVGDGIJXTRWTBY-HHHXNRCGSA-N 0 0 691.634 6.280 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224358029 571529379 /nfs/dbraw/zinc/52/93/79/571529379.db2.gz LQFQDMAQAJQTOB-FQEVSTJZSA-N 0 0 621.543 5.286 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223709826 571530810 /nfs/dbraw/zinc/53/08/10/571530810.db2.gz JKWVLBSESNKSAG-WJOKGBTCSA-N 0 0 748.085 6.844 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223709890 571530862 /nfs/dbraw/zinc/53/08/62/571530862.db2.gz JKWVLBSESNKSAG-HKBQPEDESA-N 0 0 748.085 6.844 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161912970 571531280 /nfs/dbraw/zinc/53/12/80/571531280.db2.gz JRIHTSDJLBWKFR-UHFFFAOYSA-N 0 0 630.524 7.436 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161914836 571531392 /nfs/dbraw/zinc/53/13/92/571531392.db2.gz JOWJCFNEXLADPQ-UHFFFAOYSA-N 0 0 627.464 6.125 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000161986457 571531974 /nfs/dbraw/zinc/53/19/74/571531974.db2.gz ICCMYCFGMNVWCJ-UHFFFAOYSA-N 0 0 671.048 5.234 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223720684 571532470 /nfs/dbraw/zinc/53/24/70/571532470.db2.gz BUPPOYLVNTVFDW-ZOYWYXQUSA-N 0 0 646.741 5.484 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n31)c1ccccc1CC2 ZINC000163189323 571532505 /nfs/dbraw/zinc/53/25/05/571532505.db2.gz VBMBJJIZXNVUBJ-OBDCIHEFSA-N 0 0 640.515 6.258 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000163195566 571532694 /nfs/dbraw/zinc/53/26/94/571532694.db2.gz APYLWRIVRCDCCD-DXUGRCAZSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000163206261 571532819 /nfs/dbraw/zinc/53/28/19/571532819.db2.gz QJDNCHIAQCXDBJ-KFOJKGMOSA-N 0 0 759.476 7.340 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163225688 571533489 /nfs/dbraw/zinc/53/34/89/571533489.db2.gz WQZSHEFKGBTNLS-QQMBNGEASA-N 0 0 681.524 6.690 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163229564 571533584 /nfs/dbraw/zinc/53/35/84/571533584.db2.gz XKFXSIZZPGQBCT-NPNXEGEYSA-N 0 0 694.607 6.967 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224378137 571533746 /nfs/dbraw/zinc/53/37/46/571533746.db2.gz ZWFWJGVUXFJMKV-WJOKGBTCSA-N 0 0 693.620 5.719 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163246623 571533941 /nfs/dbraw/zinc/53/39/41/571533941.db2.gz LDQWLRZIKOETTC-OBDCIHEFSA-N 0 0 640.515 6.258 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163246470 571533947 /nfs/dbraw/zinc/53/39/47/571533947.db2.gz WELZJOWAHZVXCF-SJXDCSIJSA-N 0 0 640.515 6.258 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163256056 571534190 /nfs/dbraw/zinc/53/41/90/571534190.db2.gz ROPGMPVFPLMVAA-LXKZMGPHSA-N 0 0 645.737 6.213 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267058 571534375 /nfs/dbraw/zinc/53/43/75/571534375.db2.gz IGTATPFGHFAOKD-QQMBNGEASA-N 0 0 626.090 6.158 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223731528 571534410 /nfs/dbraw/zinc/53/44/10/571534410.db2.gz DKXPZBKYRBKOHJ-OOXUFLSTSA-N 0 0 690.794 5.801 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163283024 571534788 /nfs/dbraw/zinc/53/47/88/571534788.db2.gz IAFIBZJWVUCRAB-OSXBHYAQSA-N 0 0 742.857 8.369 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163289055 571534924 /nfs/dbraw/zinc/53/49/24/571534924.db2.gz SWSJHAPPHGILOK-HWANIQDNSA-N 0 0 710.606 6.586 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224384872 571535204 /nfs/dbraw/zinc/53/52/04/571535204.db2.gz QUWADFLCQRJVGI-GDLZYMKVSA-N 0 0 640.734 5.112 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)sc2=N1 ZINC000163454058 571535542 /nfs/dbraw/zinc/53/55/42/571535542.db2.gz ZHBSTHOIOJTASP-NBQDTTAVSA-N 0 0 656.717 6.311 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2=N1 ZINC000163454314 571535651 /nfs/dbraw/zinc/53/56/51/571535651.db2.gz FORXFDOQFUELIE-NBQDTTAVSA-N 0 0 656.717 6.311 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000163455348 571535664 /nfs/dbraw/zinc/53/56/64/571535664.db2.gz XTANJKSXHDNFPR-ACHQHTMYSA-N 0 0 655.773 6.198 40 5 KKBBRN O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12)c1ccccc1 ZINC000163488239 571536033 /nfs/dbraw/zinc/53/60/33/571536033.db2.gz CEIGETLNAZZYRO-UMSFTDKQSA-N 0 0 743.502 9.719 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 ZINC000163488640 571536104 /nfs/dbraw/zinc/53/61/04/571536104.db2.gz PABVHWMSTBXLTO-LJAQVGFWSA-N 0 0 681.431 8.425 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2=N1 ZINC000163468632 571536109 /nfs/dbraw/zinc/53/61/09/571536109.db2.gz AAUZVHGSRHKBSO-HVDVVURSSA-N 0 0 639.730 5.829 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163537433 571536376 /nfs/dbraw/zinc/53/63/76/571536376.db2.gz SVQFVFWVVNVVLU-OXDPQRGISA-N 0 0 666.643 5.683 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224393015 571536725 /nfs/dbraw/zinc/53/67/25/571536725.db2.gz GKEHTRDHAVUHNY-JGCGQSQUSA-N 0 0 772.118 6.689 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163624040 571538116 /nfs/dbraw/zinc/53/81/16/571538116.db2.gz XFZDBWQVOKDGES-MFUBYVTQSA-N 0 0 757.368 6.897 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163625964 571538174 /nfs/dbraw/zinc/53/81/74/571538174.db2.gz UOTPTGFXIOBGCC-MFUBYVTQSA-N 0 0 767.920 6.152 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223755840 571538867 /nfs/dbraw/zinc/53/88/67/571538867.db2.gz MGNUSVOSKRSYIJ-MHZLTWQESA-N 0 0 601.125 5.167 40 5 KKBBRN 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ZINC000224410237 571540167 /nfs/dbraw/zinc/54/01/67/571540167.db2.gz ADNKKJXKQMSTJQ-HSZRJFAPSA-N 0 0 538.497 6.001 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163703215 571540968 /nfs/dbraw/zinc/54/09/68/571540968.db2.gz JEAPESPZDVPXBH-ORVZPOCUSA-N 0 0 741.598 5.900 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163734280 571542202 /nfs/dbraw/zinc/54/22/02/571542202.db2.gz GQFLWUQCWWQAAW-PEPUGYCWSA-N 0 0 714.594 6.210 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223776445 571542330 /nfs/dbraw/zinc/54/23/30/571542330.db2.gz MKFGYHHLIAUUPE-ZOYWYXQUSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163739498 571542350 /nfs/dbraw/zinc/54/23/50/571542350.db2.gz 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CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@@H]2C)cc1 ZINC000163941716 571543598 /nfs/dbraw/zinc/54/35/98/571543598.db2.gz FHOCGSYTEDADCO-YUDQIZAISA-N 0 0 638.189 9.469 40 5 KKBBRN C[C@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936567 571543625 /nfs/dbraw/zinc/54/36/25/571543625.db2.gz AVMMTHFOWFBPDJ-HFJWLAOPSA-N 0 0 717.612 10.066 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223787516 571544156 /nfs/dbraw/zinc/54/41/56/571544156.db2.gz BPLSYKQOCUVPSZ-OOXUFLSTSA-N 0 0 751.700 6.424 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000164176343 571544239 /nfs/dbraw/zinc/54/42/39/571544239.db2.gz FSVPNTZFBLBFMD-FUFNRSNVSA-N 0 0 638.098 5.417 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000164177372 571544255 /nfs/dbraw/zinc/54/42/55/571544255.db2.gz XBMKJJNWMNSYPA-FUFNRSNVSA-N 0 0 638.098 5.417 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000164177475 571544256 /nfs/dbraw/zinc/54/42/56/571544256.db2.gz XBMKJJNWMNSYPA-PRLWALMFSA-N 0 0 638.098 5.417 40 5 KKBBRN COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000164108089 571544274 /nfs/dbraw/zinc/54/42/74/571544274.db2.gz VTOPGVNVPSXZQN-YXDQGSNCSA-N 0 0 747.352 5.445 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164099179 571544285 /nfs/dbraw/zinc/54/42/85/571544285.db2.gz GEUYSUWZTQTQCV-BHFPBWTASA-N 0 0 618.473 6.933 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000164190494 571544742 /nfs/dbraw/zinc/54/47/42/571544742.db2.gz UHKRRYAZWPPDRR-UHAPOFRNSA-N 0 0 687.771 5.482 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000164200414 571545000 /nfs/dbraw/zinc/54/50/00/571545000.db2.gz XOHSAJAMDOOTGJ-OIUASMPBSA-N 0 0 722.614 5.845 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223803441 571547327 /nfs/dbraw/zinc/54/73/27/571547327.db2.gz HJBDHHCVABFDOI-HHHXNRCGSA-N 0 0 601.125 5.167 40 5 KKBBRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1 ZINC000164763626 571550988 /nfs/dbraw/zinc/55/09/88/571550988.db2.gz GGYWVRNWRJUBTE-UHFFFAOYSA-N 0 0 666.854 8.773 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224462426 571551651 /nfs/dbraw/zinc/55/16/51/571551651.db2.gz ZQZCHKONAWUPRR-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224464497 571552044 /nfs/dbraw/zinc/55/20/44/571552044.db2.gz SSHPHAKPSICWDI-WJOKGBTCSA-N 0 0 707.647 6.107 40 5 KKBBRN O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000164922555 571552237 /nfs/dbraw/zinc/55/22/37/571552237.db2.gz RJFIEAMIFCHNQN-ZPMAPHDVSA-N 0 0 644.734 5.419 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000167678714 571552972 /nfs/dbraw/zinc/55/29/72/571552972.db2.gz WJRMBHMPALGVQF-QFIPXVFZSA-N 0 0 565.681 5.188 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224469042 571553160 /nfs/dbraw/zinc/55/31/60/571553160.db2.gz NUILNFGVPOOCLH-GDLZYMKVSA-N 0 0 691.634 6.280 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224468981 571553181 /nfs/dbraw/zinc/55/31/81/571553181.db2.gz NUILNFGVPOOCLH-LJAQVGFWSA-N 0 0 691.634 6.280 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223820333 571555812 /nfs/dbraw/zinc/55/58/12/571555812.db2.gz GAIUTUJJXDZBBU-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224484994 571557170 /nfs/dbraw/zinc/55/71/70/571557170.db2.gz WGIVFDJEXUOTME-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223827169 571557409 /nfs/dbraw/zinc/55/74/09/571557409.db2.gz ZFUAWEGVSBYROJ-RBTNQOKQSA-N 0 0 649.597 5.531 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224492505 571559355 /nfs/dbraw/zinc/55/93/55/571559355.db2.gz WCCVZCNLERXOMG-QHCPKHFHSA-N 0 0 538.497 6.001 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 ZINC000224516948 571564525 /nfs/dbraw/zinc/56/45/25/571564525.db2.gz RIVKPMNFSGWKSG-DHIUTWEWSA-N 0 0 521.396 6.189 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224527511 571567076 /nfs/dbraw/zinc/56/70/76/571567076.db2.gz HKHIWXOWJDVRCW-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205672059 571569621 /nfs/dbraw/zinc/56/96/21/571569621.db2.gz REHXPTIDPIIDPX-CAOOACKPSA-N 0 0 575.315 5.768 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223896791 571570182 /nfs/dbraw/zinc/57/01/82/571570182.db2.gz NJNFDZHJICAMSF-BCHFMIIMSA-N 0 0 588.488 5.844 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205755025 571570716 /nfs/dbraw/zinc/57/07/16/571570716.db2.gz HZYWWSHYNCYGOT-YDZHTSKRSA-N 0 0 695.329 7.176 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000205754234 571570747 /nfs/dbraw/zinc/57/07/47/571570747.db2.gz ZUAKOUWFYSZJBC-FSJBWODESA-N 0 0 602.406 6.024 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000205765051 571570804 /nfs/dbraw/zinc/57/08/04/571570804.db2.gz JKSFAKNFFKMSMS-QGMBQPNBSA-N 0 0 589.342 6.156 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCC1 ZINC000205871271 571571853 /nfs/dbraw/zinc/57/18/53/571571853.db2.gz NHAUQDYTEAMCCJ-YBFXNURJSA-N 0 0 521.473 5.065 40 5 KKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224549070 571572128 /nfs/dbraw/zinc/57/21/28/571572128.db2.gz PWNCRLIAJMWJOF-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223909985 571573097 /nfs/dbraw/zinc/57/30/97/571573097.db2.gz SQPSSZBAGOIXDW-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223911300 571573412 /nfs/dbraw/zinc/57/34/12/571573412.db2.gz LPRDMUAMMHBEKX-NFQMXDRXSA-N 0 0 588.557 6.690 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208360511 571574027 /nfs/dbraw/zinc/57/40/27/571574027.db2.gz TVJDFFMAJCXSOF-CCLVUABDSA-N 0 0 609.660 5.437 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000214054957 571577152 /nfs/dbraw/zinc/57/71/52/571577152.db2.gz BKZQGKLTQNNEBE-CIAFOILYSA-N 0 0 500.454 6.642 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214038284 571577221 /nfs/dbraw/zinc/57/72/21/571577221.db2.gz FWGPNSLUMBIHPF-YDZHTSKRSA-N 0 0 521.507 5.931 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000214078686 571577426 /nfs/dbraw/zinc/57/74/26/571577426.db2.gz XYDVQQAKRUKJKV-WSDLNYQXSA-N 0 0 545.400 6.726 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224572201 571577556 /nfs/dbraw/zinc/57/75/56/571577556.db2.gz DMSLMLGOEKSIGF-MHZLTWQESA-N 0 0 649.597 5.531 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1Cl ZINC000214093245 571577608 /nfs/dbraw/zinc/57/76/08/571577608.db2.gz UEQLAQNHAAUQOQ-UFFVCSGVSA-N 0 0 613.795 8.058 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214130418 571577722 /nfs/dbraw/zinc/57/77/22/571577722.db2.gz MDBYKOFNYQWAAH-UFFVCSGVSA-N 0 0 613.795 8.058 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223930436 571577707 /nfs/dbraw/zinc/57/77/07/571577707.db2.gz LZWVDLNYQPYGGB-QCBOHVIISA-N 0 0 741.694 6.969 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214166973 571577897 /nfs/dbraw/zinc/57/78/97/571577897.db2.gz RTMSPZPIUJNRHT-FSJBWODESA-N 0 0 555.952 6.584 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214183066 571577904 /nfs/dbraw/zinc/57/79/04/571577904.db2.gz UWJKTVYNTJTDTE-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214216650 571578083 /nfs/dbraw/zinc/57/80/83/571578083.db2.gz WXMJEGSMHVAZKY-UFFVCSGVSA-N 0 0 597.340 7.544 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214267099 571578193 /nfs/dbraw/zinc/57/81/93/571578193.db2.gz YMPJHSCCULRKIC-FSJBWODESA-N 0 0 539.497 6.070 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214249882 571578257 /nfs/dbraw/zinc/57/82/57/571578257.db2.gz NMOQPRBPZPDALW-SSDVNMTOSA-N 0 0 548.470 6.790 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224575180 571578307 /nfs/dbraw/zinc/57/83/07/571578307.db2.gz WYBPASVNMYLGOR-HHHXNRCGSA-N 0 0 659.205 5.649 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214589085 571579724 /nfs/dbraw/zinc/57/97/24/571579724.db2.gz XDBCBYDGYSYWOA-WYMPLXKRSA-N 0 0 569.433 6.490 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214773051 571580803 /nfs/dbraw/zinc/58/08/03/571580803.db2.gz RXXGKFQPCCTDFL-ZVBGSRNCSA-N 0 0 648.240 8.712 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224586170 571580964 /nfs/dbraw/zinc/58/09/64/571580964.db2.gz XBBXAJSHMIOZRX-MUUNZHRXSA-N 0 0 687.215 5.635 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc21 ZINC000214863443 571581598 /nfs/dbraw/zinc/58/15/98/571581598.db2.gz PRYDNHXCGFMYHY-AFUMVMLFSA-N 0 0 527.514 6.685 40 5 KKBBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000214893730 571581830 /nfs/dbraw/zinc/58/18/30/571581830.db2.gz IDASTPVDGILOFD-MFKUBSTISA-N 0 0 531.590 5.972 40 5 KKBBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214979758 571582141 /nfs/dbraw/zinc/58/21/41/571582141.db2.gz MRQIFZKCSJMMMY-LGJNPRDNSA-N 0 0 518.635 6.698 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215002872 571582351 /nfs/dbraw/zinc/58/23/51/571582351.db2.gz HUCPJOHAYQBHOO-CVKSISIWSA-N 0 0 530.989 7.217 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214996547 571582438 /nfs/dbraw/zinc/58/24/38/571582438.db2.gz LRAXTXIHWKWIDH-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000215019712 571582563 /nfs/dbraw/zinc/58/25/63/571582563.db2.gz AKQHVKPDLBEXKN-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000215004233 571582589 /nfs/dbraw/zinc/58/25/89/571582589.db2.gz IJIIWHVEHLPUTO-WSDLNYQXSA-N 0 0 589.851 6.835 40 5 KKBBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000215020060 571582590 /nfs/dbraw/zinc/58/25/90/571582590.db2.gz OORHYVZFUKASHR-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215179647 571583651 /nfs/dbraw/zinc/58/36/51/571583651.db2.gz DOWSGEOANOBMSQ-NUGSKGIGSA-N 0 0 524.938 5.792 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000215234331 571584047 /nfs/dbraw/zinc/58/40/47/571584047.db2.gz SKSBFHNKMUGIIE-QPSGOUHRSA-N 0 0 541.925 5.409 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215270426 571584419 /nfs/dbraw/zinc/58/44/19/571584419.db2.gz BHLTZLYYMGHOFL-AUEPDCJTSA-N 0 0 607.841 6.974 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215271541 571584445 /nfs/dbraw/zinc/58/44/45/571584445.db2.gz YOCFDKXIVUQTLL-HCGXMYGOSA-N 0 0 608.934 7.033 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215281140 571584462 /nfs/dbraw/zinc/58/44/62/571584462.db2.gz RWIGMSNKUKUFKA-GZIVZEMBSA-N 0 0 578.908 7.025 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215266262 571584468 /nfs/dbraw/zinc/58/44/68/571584468.db2.gz QQBNYIADRVHTFI-QPJQQBGISA-N 0 0 555.908 5.914 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223968909 571585682 /nfs/dbraw/zinc/58/56/82/571585682.db2.gz LHESGWHETVOEDU-HHHXNRCGSA-N 0 0 675.204 5.493 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215922148 571587698 /nfs/dbraw/zinc/58/76/98/571587698.db2.gz WAEZTZJRDQTMBJ-PMERELPUSA-N 0 0 594.089 5.975 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224621269 571588628 /nfs/dbraw/zinc/58/86/28/571588628.db2.gz VCHJCIGXHBMGEK-YTTGMZPUSA-N 0 0 658.777 5.354 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223995713 571591828 /nfs/dbraw/zinc/59/18/28/571591828.db2.gz OLULVEQEVCAWIJ-FQEVSTJZSA-N 0 0 712.052 6.543 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224653417 571596308 /nfs/dbraw/zinc/59/63/08/571596308.db2.gz ZBRCTXJOOASUEQ-LOYHVIPDSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224033160 571598992 /nfs/dbraw/zinc/59/89/92/571598992.db2.gz LOMFAHMBGCAYQA-RPBOFIJWSA-N 0 0 516.535 5.164 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224046251 571601555 /nfs/dbraw/zinc/60/15/55/571601555.db2.gz MTHKNWPQJYQTBA-MGBGTMOVSA-N 0 0 707.249 6.235 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224681646 571602579 /nfs/dbraw/zinc/60/25/79/571602579.db2.gz IGDTVRZVELNHPT-LOYHVIPDSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224684256 571603327 /nfs/dbraw/zinc/60/33/27/571603327.db2.gz FKXGHFKMLZOPSJ-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224691030 571605237 /nfs/dbraw/zinc/60/52/37/571605237.db2.gz NGSNKJBWVYTDFX-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224065858 571605433 /nfs/dbraw/zinc/60/54/33/571605433.db2.gz UNZGAGUMLIMTJJ-IZZNHLLZSA-N 0 0 550.040 5.636 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224074315 571606693 /nfs/dbraw/zinc/60/66/93/571606693.db2.gz BNDXPCFWMBUOJB-JGCGQSQUSA-N 0 0 628.751 5.265 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224076541 571606890 /nfs/dbraw/zinc/60/68/90/571606890.db2.gz DGRLAAZLXIJZAG-IZZNHLLZSA-N 0 0 551.024 6.106 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224705134 571606955 /nfs/dbraw/zinc/60/69/55/571606955.db2.gz QQJNSAMAHIURNL-KRWDZBQOSA-N 0 0 534.476 5.067 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224094349 571609202 /nfs/dbraw/zinc/60/92/02/571609202.db2.gz SWTWCOHRLLDVIA-QHCPKHFHSA-N 0 0 657.189 5.279 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000224107195 571610949 /nfs/dbraw/zinc/61/09/49/571610949.db2.gz IGAQKPOPKSRYJI-RRPNLBNLSA-N 0 0 541.633 6.330 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000224107105 571610993 /nfs/dbraw/zinc/61/09/93/571610993.db2.gz IGAQKPOPKSRYJI-SVBPBHIXSA-N 0 0 541.633 6.330 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Cl)s3)cc2)cc1 ZINC000224761252 571614683 /nfs/dbraw/zinc/61/46/83/571614683.db2.gz NLPICLHTDTZWOA-XZOQPEGZSA-N 0 0 525.080 7.033 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Br)s3)cc2)cc1 ZINC000224761358 571614695 /nfs/dbraw/zinc/61/46/95/571614695.db2.gz OYYFXWYVFYUIDF-GOTSBHOMSA-N 0 0 569.531 7.142 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 ZINC000224763887 571614952 /nfs/dbraw/zinc/61/49/52/571614952.db2.gz QLOSRGOKXGWNGW-FIRIVFDPSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 ZINC000224766041 571615147 /nfs/dbraw/zinc/61/51/47/571615147.db2.gz HASQYPPCVWUYBP-NSOVKSMOSA-N 0 0 541.702 7.071 40 5 KKBBRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224767129 571615190 /nfs/dbraw/zinc/61/51/90/571615190.db2.gz XOUBCZAUDFGDKJ-IHLOFXLRSA-N 0 0 563.708 7.417 40 5 KKBBRN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224768202 571615310 /nfs/dbraw/zinc/61/53/10/571615310.db2.gz RFZXKDDAYCXKIX-UIOOFZCWSA-N 0 0 531.663 5.766 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C3CCCC3)cc2)cc1 ZINC000224768804 571615334 /nfs/dbraw/zinc/61/53/34/571615334.db2.gz NTHAMOHOLYZZSI-VSGBNLITSA-N 0 0 541.702 7.235 40 5 KKBBRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224769301 571615405 /nfs/dbraw/zinc/61/54/05/571615405.db2.gz 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CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224876314 571625833 /nfs/dbraw/zinc/62/58/33/571625833.db2.gz ODRQXYIQNJXUTR-SANMLTNESA-N 0 0 540.085 5.646 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224879926 571626101 /nfs/dbraw/zinc/62/61/01/571626101.db2.gz PTJPPGSCXHFTML-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224894940 571627633 /nfs/dbraw/zinc/62/76/33/571627633.db2.gz RYZLFJHHWFRQLB-HHHXNRCGSA-N 0 0 675.204 5.349 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224898048 571627917 /nfs/dbraw/zinc/62/79/17/571627917.db2.gz QKBKNYCBDXTPKQ-IBGZPJMESA-N 0 0 686.014 6.011 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224902976 571628377 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CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224926791 571630761 /nfs/dbraw/zinc/63/07/61/571630761.db2.gz DBGSQBHLUKQGQI-MHZLTWQESA-N 0 0 675.204 5.349 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224930139 571631088 /nfs/dbraw/zinc/63/10/88/571631088.db2.gz SHORFIDJKSIEHU-IBGZPJMESA-N 0 0 686.014 6.011 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224932163 571631282 /nfs/dbraw/zinc/63/12/82/571631282.db2.gz FJVXJILIVSWHCY-AREMUKBSSA-N 0 0 523.630 5.132 40 5 KKBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1Cl ZINC000224936287 571631723 /nfs/dbraw/zinc/63/17/23/571631723.db2.gz SRKJTFYMLJXZFA-UHFFFAOYSA-N 0 0 501.948 5.333 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224941976 571632252 /nfs/dbraw/zinc/63/22/52/571632252.db2.gz LVBHCAWRUGVCKE-MUUNZHRXSA-N 0 0 549.668 5.666 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224965988 571634652 /nfs/dbraw/zinc/63/46/52/571634652.db2.gz FBCRPFQGPCSBDM-MUUNZHRXSA-N 0 0 549.668 5.666 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 ZINC000225001325 571638058 /nfs/dbraw/zinc/63/80/58/571638058.db2.gz IZACLTMSFJYWEC-IHLOFXLRSA-N 0 0 604.132 7.325 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225011939 571638841 /nfs/dbraw/zinc/63/88/41/571638841.db2.gz BXFKDNPTDLPERZ-VWLOTQADSA-N 0 0 538.442 5.065 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225035136 571640917 /nfs/dbraw/zinc/64/09/17/571640917.db2.gz WWUNWUXFVOCGMF-NDEPHWFRSA-N 0 0 600.568 6.834 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225040964 571641346 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COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225381666 571749544 /nfs/dbraw/zinc/74/95/44/571749544.db2.gz DBHCJQIQGWBFNA-FQLXRVMXSA-N 0 0 556.644 6.757 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225381726 571749779 /nfs/dbraw/zinc/74/97/79/571749779.db2.gz DBHCJQIQGWBFNA-URLMMPGGSA-N 0 0 556.644 6.757 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 ZINC000225384030 571752583 /nfs/dbraw/zinc/75/25/83/571752583.db2.gz VYWRMYKBGQWSCY-NSOVKSMOSA-N 0 0 526.618 6.748 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225401034 571770843 /nfs/dbraw/zinc/77/08/43/571770843.db2.gz CAOMZXZZDQPTKF-BHVANESWSA-N 0 0 716.832 6.335 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225417308 571784096 /nfs/dbraw/zinc/78/40/96/571784096.db2.gz WKTQBVOVJSZYCH-LJAQVGFWSA-N 0 0 624.601 6.680 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260881986 571790498 /nfs/dbraw/zinc/79/04/98/571790498.db2.gz CCUVVBSFCYENMJ-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225426763 571793457 /nfs/dbraw/zinc/79/34/57/571793457.db2.gz SKPXIKDHCWHKMF-LJAQVGFWSA-N 0 0 671.614 5.212 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225429942 571797494 /nfs/dbraw/zinc/79/74/94/571797494.db2.gz PPHWKHCMSUFAFM-PMERELPUSA-N 0 0 685.641 5.521 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260887746 571798929 /nfs/dbraw/zinc/79/89/29/571798929.db2.gz CPSDWGRWBRZYAM-GOTSBHOMSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260902191 571823959 /nfs/dbraw/zinc/82/39/59/571823959.db2.gz VCWYBPRECVHTFM-MGBGTMOVSA-N 0 0 693.222 5.925 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260904185 571826593 /nfs/dbraw/zinc/82/65/93/571826593.db2.gz IHKVBBFQJVTRQW-GDLZYMKVSA-N 0 0 661.608 5.757 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225456744 571828184 /nfs/dbraw/zinc/82/81/84/571828184.db2.gz GPPYSHQDVKSTOA-MUUNZHRXSA-N 0 0 624.532 5.834 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225461460 571833162 /nfs/dbraw/zinc/83/31/62/571833162.db2.gz NNDGRVKOUCIBOM-GDLZYMKVSA-N 0 0 614.595 7.224 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260913586 571842858 /nfs/dbraw/zinc/84/28/58/571842858.db2.gz KVVGRKWQARFRTR-GDLZYMKVSA-N 0 0 701.640 5.221 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225482546 571853136 /nfs/dbraw/zinc/85/31/36/571853136.db2.gz AZRNCPFXVBGZPO-NDEPHWFRSA-N 0 0 568.501 6.533 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260919556 571853582 /nfs/dbraw/zinc/85/35/82/571853582.db2.gz MBNZWARTXFTCNI-DIPNUNPCSA-N 0 0 712.869 6.505 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225491091 571860923 /nfs/dbraw/zinc/86/09/23/571860923.db2.gz QGRREINCRCDNRE-LJAQVGFWSA-N 0 0 691.634 5.765 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 ZINC000260924248 571862433 /nfs/dbraw/zinc/86/24/33/571862433.db2.gz SOYMDDDNYJLTRR-OCKPKQIFSA-N 0 0 588.133 7.563 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 ZINC000260925513 571864544 /nfs/dbraw/zinc/86/45/44/571864544.db2.gz UTKHQSYKDLFZIW-JMGNVCAQSA-N 0 0 587.149 7.093 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260927780 571870406 /nfs/dbraw/zinc/87/04/06/571870406.db2.gz ASEVTKXOOKCJOO-PGUFJCEWSA-N 0 0 753.705 7.113 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225500722 571870409 /nfs/dbraw/zinc/87/04/09/571870409.db2.gz KOTOVBTWADMYRC-UUWRZZSWSA-N 0 0 690.794 5.803 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225505921 571876424 /nfs/dbraw/zinc/87/64/24/571876424.db2.gz SIVDNQWZQWBIDZ-PWUYWRBVSA-N 0 0 624.760 5.138 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260935994 571886823 /nfs/dbraw/zinc/88/68/23/571886823.db2.gz CCGJWQLCNDFKBS-JGCGQSQUSA-N 0 0 725.239 6.454 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260939475 571894541 /nfs/dbraw/zinc/89/45/41/571894541.db2.gz OAIFQCPDWKPAQM-MGBGTMOVSA-N 0 0 741.694 6.826 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260940547 571895399 /nfs/dbraw/zinc/89/53/99/571895399.db2.gz IRCHCNISCOXUMY-IDISGSTGSA-N 0 0 601.125 5.166 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260947019 571906559 /nfs/dbraw/zinc/90/65/59/571906559.db2.gz DVIHJPMCQSXARN-PGUFJCEWSA-N 0 0 753.705 7.113 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225542361 571907281 /nfs/dbraw/zinc/90/72/81/571907281.db2.gz MJMQIMLYGNXYIR-SANMLTNESA-N 0 0 552.469 5.456 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260948222 571908728 /nfs/dbraw/zinc/90/87/28/571908728.db2.gz UNEUDFWYOZGYFJ-PSXMRANNSA-N 0 0 777.738 6.959 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260949252 571910031 /nfs/dbraw/zinc/91/00/31/571910031.db2.gz JOJLVDDFSWFZBP-NVQXNPDNSA-N 0 0 645.178 5.483 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260954109 571919085 /nfs/dbraw/zinc/91/90/85/571919085.db2.gz UMJAWVGUCOAVQW-UUWRZZSWSA-N 0 0 707.249 6.173 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260954535 571921127 /nfs/dbraw/zinc/92/11/27/571921127.db2.gz FUEDLWIJFYQTKM-MUUNZHRXSA-N 0 0 647.581 5.367 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000225560375 571922384 /nfs/dbraw/zinc/92/23/84/571922384.db2.gz VNAASQGGKOOBAE-WDYNHAJCSA-N 0 0 571.659 5.822 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225561470 571923582 /nfs/dbraw/zinc/92/35/82/571923582.db2.gz VBSMHXGMLCTPFL-WJOKGBTCSA-N 0 0 679.195 5.455 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260956916 571924410 /nfs/dbraw/zinc/92/44/10/571924410.db2.gz KPRVNXOMRLCJMH-UXHICEINSA-N 0 0 700.041 6.399 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225562360 571924493 /nfs/dbraw/zinc/92/44/93/571924493.db2.gz POSZAIZRDACMRC-NSOVKSMOSA-N 0 0 541.633 5.814 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225576387 571936322 /nfs/dbraw/zinc/93/63/22/571936322.db2.gz LJTHUDXOTAHIQP-UUWRZZSWSA-N 0 0 741.694 6.970 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260964346 571936960 /nfs/dbraw/zinc/93/69/60/571936960.db2.gz ZTIKQQHQYXFSTI-OAQYLSRUSA-N 0 0 710.047 5.713 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225577637 571937081 /nfs/dbraw/zinc/93/70/81/571937081.db2.gz IWTBOGOJRQFRGA-RRPNLBNLSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225579294 571938888 /nfs/dbraw/zinc/93/88/88/571938888.db2.gz LVJLNCGDFYQGGT-SXOMAYOGSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225583054 571942049 /nfs/dbraw/zinc/94/20/49/571942049.db2.gz NTYKSRJVWGXQLG-SXOMAYOGSA-N 0 0 527.606 5.560 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225585262 571943927 /nfs/dbraw/zinc/94/39/27/571943927.db2.gz JBBHJHZFOJTOKY-WJOKGBTCSA-N 0 0 679.195 5.455 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260974545 571947228 /nfs/dbraw/zinc/94/72/28/571947228.db2.gz AJWPMJJISLNGSN-VXKWHMMOSA-N 0 0 631.151 5.093 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260982555 571957252 /nfs/dbraw/zinc/95/72/52/571957252.db2.gz LKCHEYGNYCLVGV-JGCGQSQUSA-N 0 0 786.145 7.078 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225606559 571959326 /nfs/dbraw/zinc/95/93/26/571959326.db2.gz QQPJABHQGUMODF-HKBQPEDESA-N 0 0 665.168 5.147 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260985713 571961023 /nfs/dbraw/zinc/96/10/23/571961023.db2.gz MBCIMUUGFRBRFH-MGBGTMOVSA-N 0 0 675.207 6.142 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225609583 571961403 /nfs/dbraw/zinc/96/14/03/571961403.db2.gz SKQCQRFELGNHFO-AREMUKBSSA-N 0 0 588.488 5.845 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260987450 571963741 /nfs/dbraw/zinc/96/37/41/571963741.db2.gz MQFMYVALXRMMHM-MGBGTMOVSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260988850 571966528 /nfs/dbraw/zinc/96/65/28/571966528.db2.gz CGWKIRAGQBMITJ-SFTDATJTSA-N 0 0 649.141 5.232 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260989017 571966870 /nfs/dbraw/zinc/96/68/70/571966870.db2.gz MWQLMULWXZWYKA-GDLZYMKVSA-N 0 0 627.163 5.022 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260990700 571970017 /nfs/dbraw/zinc/97/00/17/571970017.db2.gz NMIWTNIWYBNQKY-UUWRZZSWSA-N 0 0 788.150 7.766 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225621667 571972380 /nfs/dbraw/zinc/97/23/80/571972380.db2.gz PGFUXYWPBYBCFV-FQEVSTJZSA-N 0 0 651.569 5.356 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000260994622 571976488 /nfs/dbraw/zinc/97/64/88/571976488.db2.gz OJGZHAVHESXEQM-UUWRZZSWSA-N 0 0 670.788 5.498 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260995626 571977745 /nfs/dbraw/zinc/97/77/45/571977745.db2.gz QROSBIBSBMHPKR-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225626336 571977828 /nfs/dbraw/zinc/97/78/28/571977828.db2.gz NOOFQUANEOQGTG-QFQXNSOFSA-N 0 0 679.623 6.136 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225629088 571980978 /nfs/dbraw/zinc/98/09/78/571980978.db2.gz QJBCMZADRQROAJ-WJOKGBTCSA-N 0 0 665.168 5.147 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225639473 571990679 /nfs/dbraw/zinc/99/06/79/571990679.db2.gz KUDWTPSBQRLSHU-FQEVSTJZSA-N 0 0 651.569 5.356 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225639965 571991078 /nfs/dbraw/zinc/99/10/78/571991078.db2.gz CLGYYKWFWSDEAE-VSGBNLITSA-N 0 0 541.633 5.868 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225639916 571991095 /nfs/dbraw/zinc/99/10/95/571991095.db2.gz CLGYYKWFWSDEAE-IZLXSDGUSA-N 0 0 541.633 5.868 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261004566 571993093 /nfs/dbraw/zinc/99/30/93/571993093.db2.gz SJHMROCFIYMAGP-PIKZIKFNSA-N 0 0 679.623 6.136 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000261005517 571994443 /nfs/dbraw/zinc/99/44/43/571994443.db2.gz QXJNTUUYHTZTFG-GDLZYMKVSA-N 0 0 627.163 5.022 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261005537 571994716 /nfs/dbraw/zinc/99/47/16/571994716.db2.gz QYKUVKXCMRELJX-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000261008531 572000411 /nfs/dbraw/zinc/00/04/11/572000411.db2.gz ROTFTENDAVWMOA-UUWRZZSWSA-N 0 0 654.789 5.797 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000261008525 572000497 /nfs/dbraw/zinc/00/04/97/572000497.db2.gz ROHOOYOTOCELFJ-GDLZYMKVSA-N 0 0 661.608 5.675 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 ZINC000225656542 572003589 /nfs/dbraw/zinc/00/35/89/572003589.db2.gz FWWGZTHMXXIBGV-IZLXSDGUSA-N 0 0 557.632 5.568 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000225676913 572016299 /nfs/dbraw/zinc/01/62/99/572016299.db2.gz PRPWIDVFMKSUFJ-WUFINQPMSA-N 0 0 573.631 5.268 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261022601 572022576 /nfs/dbraw/zinc/02/25/76/572022576.db2.gz VNYDJJFMCRMFDF-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261024739 572024686 /nfs/dbraw/zinc/02/46/86/572024686.db2.gz WKCTUANGTOKBLB-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225691810 572026451 /nfs/dbraw/zinc/02/64/51/572026451.db2.gz MNGXZVNXPFGXFM-MGPUTAFESA-N 0 0 526.417 5.011 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261027601 572027180 /nfs/dbraw/zinc/02/71/80/572027180.db2.gz IWGLUHSBOADIBX-MGBGTMOVSA-N 0 0 721.276 6.624 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225697742 572029903 /nfs/dbraw/zinc/02/99/03/572029903.db2.gz GIGLOLYAAZCYFX-OPAMFIHVSA-N 0 0 526.486 5.857 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261029404 572030004 /nfs/dbraw/zinc/03/00/04/572030004.db2.gz JDZHFVHOCBKRQK-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261035277 572038409 /nfs/dbraw/zinc/03/84/09/572038409.db2.gz KADUPTNJJXJHPP-GOXGLGGOSA-N 0 0 707.647 6.107 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261036970 572040088 /nfs/dbraw/zinc/04/00/88/572040088.db2.gz YBAOQELAALHHNW-PMACEKPBSA-N 0 0 700.041 6.399 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225719354 572046150 /nfs/dbraw/zinc/04/61/50/572046150.db2.gz KTZHDGWXBLUFAI-NRFANRHFSA-N 0 0 710.047 5.713 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261042880 572047087 /nfs/dbraw/zinc/04/70/87/572047087.db2.gz YXHIVQQWIQYHRQ-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225725456 572049127 /nfs/dbraw/zinc/04/91/27/572049127.db2.gz FVUYATOVOSXAJO-ZHRRBRCNSA-N 0 0 526.486 5.857 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000261066220 572066208 /nfs/dbraw/zinc/06/62/08/572066208.db2.gz OTGLLJDNDQNDNI-JGCGQSQUSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261081741 572075842 /nfs/dbraw/zinc/07/58/42/572075842.db2.gz RJGHQBKYJNNTJQ-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261104357 572091089 /nfs/dbraw/zinc/09/10/89/572091089.db2.gz WTEBVZRPDAQPBX-GOXGLGGOSA-N 0 0 646.741 5.484 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261104401 572091205 /nfs/dbraw/zinc/09/12/05/572091205.db2.gz WUUATCTZMJDCCG-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261112024 572095361 /nfs/dbraw/zinc/09/53/61/572095361.db2.gz YAGSZKMYLLCYBQ-MGBGTMOVSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261120938 572100260 /nfs/dbraw/zinc/10/02/60/572100260.db2.gz ZFUAWEGVSBYROJ-PIKZIKFNSA-N 0 0 649.597 5.531 40 5 KKBBRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261363736 572105886 /nfs/dbraw/zinc/10/58/86/572105886.db2.gz HXMOZKVNHVYEMA-SANMLTNESA-O 0 0 532.602 5.501 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408542133 572210027 /nfs/dbraw/zinc/21/00/27/572210027.db2.gz HKHDZNOVZFWOTH-QPJJXVBHSA-N 0 0 528.186 7.109 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2Cl)cc1 ZINC000408546220 572222162 /nfs/dbraw/zinc/22/21/62/572222162.db2.gz RLWVDUXHMFLQJD-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 ZINC000408551082 572235329 /nfs/dbraw/zinc/23/53/29/572235329.db2.gz AWMGNSDBQSHRNH-UHFFFAOYSA-N 0 0 518.307 5.348 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCCC1 ZINC000408551206 572235688 /nfs/dbraw/zinc/23/56/88/572235688.db2.gz MJUZMMLPFDPVAM-YBFXNURJSA-N 0 0 719.295 5.042 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl ZINC000408553502 572240634 /nfs/dbraw/zinc/24/06/34/572240634.db2.gz ABWKQSMYWTZGFU-UHFFFAOYSA-N 0 0 504.768 5.949 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408553524 572240646 /nfs/dbraw/zinc/24/06/46/572240646.db2.gz AEWSUODYDLQYGB-HSZRJFAPSA-N 0 0 641.827 6.731 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1 ZINC000408553550 572241009 /nfs/dbraw/zinc/24/10/09/572241009.db2.gz AHEYVXQRIFILJG-UHFFFAOYSA-N 0 0 522.314 5.928 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000408554742 572242096 /nfs/dbraw/zinc/24/20/96/572242096.db2.gz FFZQJZMFZJUCQO-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408556179 572243722 /nfs/dbraw/zinc/24/37/22/572243722.db2.gz IDODJFDIPMTISF-UHFFFAOYSA-N 0 0 514.376 5.694 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2Cl)c1 ZINC000408557106 572244498 /nfs/dbraw/zinc/24/44/98/572244498.db2.gz MDEJFELSKBESTF-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557166 572244716 /nfs/dbraw/zinc/24/47/16/572244716.db2.gz NHAAWGNTBIYQBX-QHCPKHFHSA-N 0 0 549.830 6.377 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000408558096 572245526 /nfs/dbraw/zinc/24/55/26/572245526.db2.gz PSDHOEUFKFAXSV-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408558831 572246152 /nfs/dbraw/zinc/24/61/52/572246152.db2.gz WMKDNPXKRKVGGY-UHFFFAOYSA-N 0 0 617.665 7.205 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563196 572248995 /nfs/dbraw/zinc/24/89/95/572248995.db2.gz AAUKIXHAHKGDMC-BYGVMDBSSA-N 0 0 542.419 5.493 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563866 572249866 /nfs/dbraw/zinc/24/98/66/572249866.db2.gz BFRQKFBLGRCHLM-ZNCVFPSASA-N 0 0 617.294 5.321 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564419 572250315 /nfs/dbraw/zinc/25/03/15/572250315.db2.gz CTDOVUNHQADOIB-XABOBXATSA-N 0 0 633.326 6.398 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564690 572250615 /nfs/dbraw/zinc/25/06/15/572250615.db2.gz DPTRSPVAGUNNEY-OYMMJLNRSA-N 0 0 516.356 5.233 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564689 572250640 /nfs/dbraw/zinc/25/06/40/572250640.db2.gz DPTRSPVAGUNNEY-KITIHOALSA-N 0 0 516.356 5.233 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 ZINC000408564842 572251035 /nfs/dbraw/zinc/25/10/35/572251035.db2.gz ANYIQUSPBCUVPS-VWLOTQADSA-N 0 0 570.027 6.225 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 ZINC000408564787 572251043 /nfs/dbraw/zinc/25/10/43/572251043.db2.gz AGMJQWYQYJXBDS-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408564833 572251094 /nfs/dbraw/zinc/25/10/94/572251094.db2.gz AMVFVIQSYZBXEV-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408564909 572251169 /nfs/dbraw/zinc/25/11/69/572251169.db2.gz ASIMTMRPWBKAQV-HXUWFJFHSA-N 0 0 507.410 5.164 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564918 572251224 /nfs/dbraw/zinc/25/12/24/572251224.db2.gz GLAVBDWTEHOVSO-LAMXGVLKSA-N 0 0 516.356 5.233 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408564971 572251413 /nfs/dbraw/zinc/25/14/13/572251413.db2.gz AVIJQQPDFFCQFT-DEOSSOPVSA-N 0 0 585.480 6.045 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564952 572251438 /nfs/dbraw/zinc/25/14/38/572251438.db2.gz GTWVSJORXOCCFF-OTGIWPJISA-N 0 0 570.415 5.088 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408565000 572251454 /nfs/dbraw/zinc/25/14/54/572251454.db2.gz AXYUXMTYNOOEEW-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564956 572251515 /nfs/dbraw/zinc/25/15/15/572251515.db2.gz GUOFDSZWBGIMJQ-HGMMTPDKSA-N 0 0 516.356 5.233 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565133 572251888 /nfs/dbraw/zinc/25/18/88/572251888.db2.gz BHJCUXFLFNFUQN-NRFANRHFSA-N 0 0 529.818 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565202 572252066 /nfs/dbraw/zinc/25/20/66/572252066.db2.gz BHOSLNHZMYMHPW-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565251 572252116 /nfs/dbraw/zinc/25/21/16/572252116.db2.gz BLIVSPJFJIXXGY-SANMLTNESA-N 0 0 597.535 7.043 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000408565224 572252120 /nfs/dbraw/zinc/25/21/20/572252120.db2.gz BIUJZUILSMHZDM-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565361 572252395 /nfs/dbraw/zinc/25/23/95/572252395.db2.gz JXAPSVIIHRHSQO-XRHWURSXSA-N 0 0 558.432 5.703 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565450 572252577 /nfs/dbraw/zinc/25/25/77/572252577.db2.gz BXDLVJSPLSVEPR-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(C)cc1 ZINC000408565414 572252602 /nfs/dbraw/zinc/25/26/02/572252602.db2.gz BVHDRLXBPDBLJJ-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408565409 572252614 /nfs/dbraw/zinc/25/26/14/572252614.db2.gz BUXKJFNQMSGZSG-QHCPKHFHSA-N 0 0 573.990 5.974 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565446 572252686 /nfs/dbraw/zinc/25/26/86/572252686.db2.gz KTNWDKGOXZTCTO-OCAOGGMISA-N 0 0 612.908 6.135 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565513 572252755 /nfs/dbraw/zinc/25/27/55/572252755.db2.gz LFSJWGRUDUUOOB-IPEONRORSA-N 0 0 621.315 6.256 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000408565540 572252777 /nfs/dbraw/zinc/25/27/77/572252777.db2.gz CGHFVJZESFSPDD-DEOSSOPVSA-N 0 0 587.471 6.483 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408565539 572252785 /nfs/dbraw/zinc/25/27/85/572252785.db2.gz CFQQCVMPYHBIKT-MHZLTWQESA-N 0 0 518.639 6.199 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1F ZINC000408565681 572253021 /nfs/dbraw/zinc/25/30/21/572253021.db2.gz CTEJICHTMJKRQY-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565665 572253027 /nfs/dbraw/zinc/25/30/27/572253027.db2.gz LRFPMOMNMOKXBZ-GJECAEJISA-N 0 0 572.843 5.212 40 5 KKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408565666 572253029 /nfs/dbraw/zinc/25/30/29/572253029.db2.gz CRTDMPRWEFOVPO-IBGZPJMESA-N 0 0 520.210 7.225 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565702 572253063 /nfs/dbraw/zinc/25/30/63/572253063.db2.gz CVVBUTLBVGZJFP-HSZRJFAPSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408565944 572253191 /nfs/dbraw/zinc/25/31/91/572253191.db2.gz DIZVYWSFRUOERW-VWLOTQADSA-N 0 0 573.046 6.465 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408565891 572253199 /nfs/dbraw/zinc/25/31/99/572253199.db2.gz DDBARRSSYGBMLR-SANMLTNESA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408565978 572253335 /nfs/dbraw/zinc/25/33/35/572253335.db2.gz DMABLOUMFWFQAS-VWLOTQADSA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408566044 572253363 /nfs/dbraw/zinc/25/33/63/572253363.db2.gz DPPSJVZVHRTQBC-HHHXNRCGSA-N 0 0 518.639 6.280 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566408 572253684 /nfs/dbraw/zinc/25/36/84/572253684.db2.gz NUBKWSFACZTSNB-LAMXGVLKSA-N 0 0 532.811 5.748 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408566575 572253762 /nfs/dbraw/zinc/25/37/62/572253762.db2.gz FPYVHAHEJGUCAP-VWLOTQADSA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408566710 572253891 /nfs/dbraw/zinc/25/38/91/572253891.db2.gz FZVUSGLWFYOTTG-FQEVSTJZSA-N 0 0 507.410 5.082 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566789 572253984 /nfs/dbraw/zinc/25/39/84/572253984.db2.gz GDLWEXOVKWTWOJ-RUZDIDTESA-N 0 0 573.046 6.465 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567107 572254174 /nfs/dbraw/zinc/25/41/74/572254174.db2.gz GMBRMPAEEDLMIZ-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408567128 572254202 /nfs/dbraw/zinc/25/42/02/572254202.db2.gz GOBZMDHOMYOWJW-SANMLTNESA-N 0 0 555.056 6.326 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408567075 572254210 /nfs/dbraw/zinc/25/42/10/572254210.db2.gz GHTHOBDFPGCDNP-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc2ccccc21 ZINC000408567185 572254260 /nfs/dbraw/zinc/25/42/60/572254260.db2.gz GRGJWSWYVRXQKD-PMERELPUSA-N 0 0 570.671 6.825 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408567206 572254327 /nfs/dbraw/zinc/25/43/27/572254327.db2.gz GSSSYBKEDLKTFA-HSZRJFAPSA-N 0 0 628.763 7.988 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567749 572254382 /nfs/dbraw/zinc/25/43/82/572254382.db2.gz REOKDBYHPCJROB-JRWZBITLSA-N 0 0 607.288 5.865 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567707 572254399 /nfs/dbraw/zinc/25/43/99/572254399.db2.gz QZFQBPAENLKNNS-BYGVMDBSSA-N 0 0 542.419 5.493 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408567715 572254433 /nfs/dbraw/zinc/25/44/33/572254433.db2.gz HEVSIUYQBMRMPN-XMMPIXPASA-N 0 0 619.925 6.698 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408567596 572254469 /nfs/dbraw/zinc/25/44/69/572254469.db2.gz GXCSGCRTBJEEAR-QHCPKHFHSA-N 0 0 556.000 5.835 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408567823 572254553 /nfs/dbraw/zinc/25/45/53/572254553.db2.gz RNTMZVKLRXEXAA-OCAOGGMISA-N 0 0 596.453 5.620 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567818 572254562 /nfs/dbraw/zinc/25/45/62/572254562.db2.gz RMOPCJFNFZEDKC-CCXQXCJASA-N 0 0 621.315 6.256 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408568083 572254667 /nfs/dbraw/zinc/25/46/67/572254667.db2.gz HPCYUNOODCMNJZ-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568413 572255069 /nfs/dbraw/zinc/25/50/69/572255069.db2.gz UJPQYLSOYXQWOL-BYGVMDBSSA-N 0 0 586.870 5.602 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568414 572255082 /nfs/dbraw/zinc/25/50/82/572255082.db2.gz UJPQYLSOYXQWOL-DNKZPPIMSA-N 0 0 586.870 5.602 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408568675 572255174 /nfs/dbraw/zinc/25/51/74/572255174.db2.gz IGPWILZYWZYHEX-DEOSSOPVSA-N 0 0 638.371 7.651 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 ZINC000408568691 572255199 /nfs/dbraw/zinc/25/51/99/572255199.db2.gz IIQJLOBFUDGWOR-AREMUKBSSA-N 0 0 504.612 5.890 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408568678 572255217 /nfs/dbraw/zinc/25/52/17/572255217.db2.gz IGTGGGIJJHRZOZ-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408569128 572255442 /nfs/dbraw/zinc/25/54/42/572255442.db2.gz IXZAEHALMDNFDD-RUZDIDTESA-N 0 0 662.404 7.415 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568970 572255494 /nfs/dbraw/zinc/25/54/94/572255494.db2.gz VKWBWWDUBRLMOB-AWTIUKJOSA-N 0 0 524.404 5.627 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408569091 572255499 /nfs/dbraw/zinc/25/54/99/572255499.db2.gz ITOCQOQHJSQUMV-MHZLTWQESA-N 0 0 536.629 6.419 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568978 572255533 /nfs/dbraw/zinc/25/55/33/572255533.db2.gz VKWBWWDUBRLMOB-YUHKXCSQSA-N 0 0 524.404 5.627 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408569404 572255640 /nfs/dbraw/zinc/25/56/40/572255640.db2.gz WOXJJSKQUSKMCC-RJPUKIMISA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408569521 572255748 /nfs/dbraw/zinc/25/57/48/572255748.db2.gz JJYWZZTXQJHKDF-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408569610 572255864 /nfs/dbraw/zinc/25/58/64/572255864.db2.gz JUSJOMBRDVFFSU-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408569626 572255892 /nfs/dbraw/zinc/25/58/92/572255892.db2.gz JXNFVCGSHBKJTL-RUZDIDTESA-N 0 0 557.047 6.683 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569697 572255906 /nfs/dbraw/zinc/25/59/06/572255906.db2.gz XBHZZJDLEQBYCL-FODJJAHYSA-N 0 0 572.843 5.212 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569867 572256039 /nfs/dbraw/zinc/25/60/39/572256039.db2.gz JZSXIBCTRPQHGN-QHCPKHFHSA-N 0 0 591.434 6.314 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408569886 572256047 /nfs/dbraw/zinc/25/60/47/572256047.db2.gz KDHOCBZBNIVIMB-FQEVSTJZSA-N 0 0 541.855 5.899 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408569907 572256065 /nfs/dbraw/zinc/25/60/65/572256065.db2.gz KFWVKIYZJZNDOV-VWLOTQADSA-N 0 0 601.498 6.874 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408569888 572256070 /nfs/dbraw/zinc/25/60/70/572256070.db2.gz KDHOCBZBNIVIMB-HXUWFJFHSA-N 0 0 541.855 5.899 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c(Br)cc1OC ZINC000408570267 572256281 /nfs/dbraw/zinc/25/62/81/572256281.db2.gz KPSLVAQSLFPWIQ-OAQYLSRUSA-N 0 0 521.437 5.472 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408570270 572256299 /nfs/dbraw/zinc/25/62/99/572256299.db2.gz KQMUIUYABTUZDL-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570207 572256324 /nfs/dbraw/zinc/25/63/24/572256324.db2.gz ZVRLTIVRHNKMON-BYGVMDBSSA-N 0 0 586.870 5.602 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408570271 572256353 /nfs/dbraw/zinc/25/63/53/572256353.db2.gz KQMUIUYABTUZDL-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccccc1 ZINC000408570335 572256405 /nfs/dbraw/zinc/25/64/05/572256405.db2.gz KXVBJZCDSRXIRD-QHCPKHFHSA-N 0 0 570.425 5.936 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(F)cc1 ZINC000408570344 572256425 /nfs/dbraw/zinc/25/64/25/572256425.db2.gz LAIWRBOJACNUBL-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccccc1 ZINC000408570333 572256434 /nfs/dbraw/zinc/25/64/34/572256434.db2.gz KXVBJZCDSRXIRD-HSZRJFAPSA-N 0 0 570.425 5.936 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000408570697 572256532 /nfs/dbraw/zinc/25/65/32/572256532.db2.gz LXBVICLWRJENMD-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408570727 572256603 /nfs/dbraw/zinc/25/66/03/572256603.db2.gz LZLPAHXABGSUST-QFIPXVFZSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408570942 572256687 /nfs/dbraw/zinc/25/66/87/572256687.db2.gz MKUKHPSOOSUHKK-MUUNZHRXSA-N 0 0 548.665 6.371 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(C)c(C)c1 ZINC000408570991 572256688 /nfs/dbraw/zinc/25/66/88/572256688.db2.gz MPLMUCNDJIBUTL-LJAQVGFWSA-N 0 0 524.646 7.035 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 ZINC000408571047 572256710 /nfs/dbraw/zinc/25/67/10/572256710.db2.gz NAWZAXAIVBETAK-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408571036 572256716 /nfs/dbraw/zinc/25/67/16/572256716.db2.gz MZFOGJNFAKLYRU-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571045 572256727 /nfs/dbraw/zinc/25/67/27/572256727.db2.gz NAKODEFGYOMNTR-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408571146 572256826 /nfs/dbraw/zinc/25/68/26/572256826.db2.gz NVMSJRQZOLAJEH-JOCHJYFZSA-N 0 0 509.400 6.625 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571105 572256827 /nfs/dbraw/zinc/25/68/27/572256827.db2.gz NOMOHUFGWYWMNG-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571112 572256836 /nfs/dbraw/zinc/25/68/36/572256836.db2.gz NRFIQAPUVOSUBM-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571131 572256838 /nfs/dbraw/zinc/25/68/38/572256838.db2.gz NSIMIXMMMRDAAE-XMMPIXPASA-N 0 0 656.361 7.872 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571104 572256845 /nfs/dbraw/zinc/25/68/45/572256845.db2.gz NOMOHUFGWYWMNG-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408571188 572256969 /nfs/dbraw/zinc/25/69/69/572256969.db2.gz OBYCTPAYIQCEHG-VWLOTQADSA-N 0 0 509.031 6.535 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000408571357 572257049 /nfs/dbraw/zinc/25/70/49/572257049.db2.gz OMPQYCSVCNKKKH-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571361 572257063 /nfs/dbraw/zinc/25/70/63/572257063.db2.gz OMXMFGSXRXQFJB-HSZRJFAPSA-N 0 0 516.957 6.196 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408571415 572257067 /nfs/dbraw/zinc/25/70/67/572257067.db2.gz ORTZEZGYOXDBTG-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408571593 572257154 /nfs/dbraw/zinc/25/71/54/572257154.db2.gz PETJMRCWUIOFBX-RUZDIDTESA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC ZINC000408571519 572257188 /nfs/dbraw/zinc/25/71/88/572257188.db2.gz OUMBYJURPBWSEY-NRFANRHFSA-N 0 0 521.437 5.554 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 ZINC000408571584 572257195 /nfs/dbraw/zinc/25/71/95/572257195.db2.gz PCSMGCNOSSPRJP-SANMLTNESA-N 0 0 504.612 5.972 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408571818 572257354 /nfs/dbraw/zinc/25/73/54/572257354.db2.gz PPBGMLFJGFNMRP-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571816 572257365 /nfs/dbraw/zinc/25/73/65/572257365.db2.gz POXWZAJWPHAYLC-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408571856 572257372 /nfs/dbraw/zinc/25/73/72/572257372.db2.gz PSPVBXPVCMTFIB-HHHXNRCGSA-N 0 0 611.562 7.351 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408572110 572257555 /nfs/dbraw/zinc/25/75/55/572257555.db2.gz QQHNBRROQJASOL-QHCPKHFHSA-N 0 0 584.312 7.878 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408572081 572257585 /nfs/dbraw/zinc/25/75/85/572257585.db2.gz QOLBIIMBBVXUMQ-HSZRJFAPSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1 ZINC000408572112 572257588 /nfs/dbraw/zinc/25/75/88/572257588.db2.gz QQSHBDGMUXRAAR-NRFANRHFSA-N 0 0 513.363 6.456 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408572095 572257589 /nfs/dbraw/zinc/25/75/89/572257589.db2.gz QPIGCNWZCGYNJO-VWLOTQADSA-N 0 0 601.498 6.792 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408572314 572257676 /nfs/dbraw/zinc/25/76/76/572257676.db2.gz QWJAQJWADLAUOG-RUZDIDTESA-N 0 0 524.574 5.421 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572306 572257702 /nfs/dbraw/zinc/25/77/02/572257702.db2.gz QVPOLQZEJIFCSM-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408572344 572257746 /nfs/dbraw/zinc/25/77/46/572257746.db2.gz QYAPZDPIXHZPOH-RUZDIDTESA-N 0 0 573.046 6.465 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1cccc(C)c1 ZINC000408572444 572257762 /nfs/dbraw/zinc/25/77/62/572257762.db2.gz REEACILWSGQUTE-NDEPHWFRSA-N 0 0 589.515 7.489 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408572414 572257768 /nfs/dbraw/zinc/25/77/68/572257768.db2.gz RCABHTHGFNNJTG-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408572325 572257841 /nfs/dbraw/zinc/25/78/41/572257841.db2.gz QXBDHHWXKPDABP-RUZDIDTESA-N 0 0 524.574 5.421 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408572614 572257980 /nfs/dbraw/zinc/25/79/80/572257980.db2.gz RMIPVGNDNUJBFJ-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408572769 572258122 /nfs/dbraw/zinc/25/81/22/572258122.db2.gz RZSILKLVARYCOU-DEOSSOPVSA-N 0 0 624.344 7.343 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408573091 572258636 /nfs/dbraw/zinc/25/86/36/572258636.db2.gz SLLVNYPBKKPCFO-HSZRJFAPSA-N 0 0 594.318 7.334 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000408573066 572258655 /nfs/dbraw/zinc/25/86/55/572258655.db2.gz SIGUYYUCKBQMEU-HSZRJFAPSA-N 0 0 559.873 6.681 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCC ZINC000408573081 572258656 /nfs/dbraw/zinc/25/86/56/572258656.db2.gz SKLHYZHAOBBKDJ-LJQANCHMSA-N 0 0 525.400 5.385 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408573449 572258855 /nfs/dbraw/zinc/25/88/55/572258855.db2.gz SWLZJPDXQSRURI-NDEPHWFRSA-N 0 0 526.618 6.427 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 ZINC000408573627 572258974 /nfs/dbraw/zinc/25/89/74/572258974.db2.gz TYURWUGQACXBRV-XMMPIXPASA-N 0 0 600.451 5.944 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408573928 572259163 /nfs/dbraw/zinc/25/91/63/572259163.db2.gz UEHOCFUMKWATKC-DEOSSOPVSA-N 0 0 614.478 6.253 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408574439 572259579 /nfs/dbraw/zinc/25/95/79/572259579.db2.gz UVGDSTVZMNBOPH-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408574454 572259622 /nfs/dbraw/zinc/25/96/22/572259622.db2.gz UVNDIAGINRPZMJ-GDLZYMKVSA-N 0 0 603.542 7.797 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408574478 572259737 /nfs/dbraw/zinc/25/97/37/572259737.db2.gz UXLNNZSYGDXTJJ-HSZRJFAPSA-N 0 0 642.334 7.482 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574544 572259739 /nfs/dbraw/zinc/25/97/39/572259739.db2.gz VDSAROKIWVSTTD-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408575005 572260134 /nfs/dbraw/zinc/26/01/34/572260134.db2.gz VJFHMIXNNBUKOB-SSEXGKCCSA-N 0 0 554.672 7.125 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408575080 572260230 /nfs/dbraw/zinc/26/02/30/572260230.db2.gz VYLFOSWSUFPTRC-RUZDIDTESA-N 0 0 652.398 7.960 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000408575094 572260235 /nfs/dbraw/zinc/26/02/35/572260235.db2.gz WAFDVWUUCXXQBH-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408575289 572260400 /nfs/dbraw/zinc/26/04/00/572260400.db2.gz UCBQYDUEZUHOKE-UXBLZVDNSA-N 0 0 544.391 5.700 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408575564 572260606 /nfs/dbraw/zinc/26/06/06/572260606.db2.gz WNGAPIOCTHUKOU-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccccc1 ZINC000408575908 572260855 /nfs/dbraw/zinc/26/08/55/572260855.db2.gz WZUJJECHZWHAPT-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408575975 572260977 /nfs/dbraw/zinc/26/09/77/572260977.db2.gz XCHIEXGVBBKNNW-RUZDIDTESA-N 0 0 527.021 6.674 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408576156 572261051 /nfs/dbraw/zinc/26/10/51/572261051.db2.gz XLJCLNUFPBGHTC-XMMPIXPASA-N 0 0 603.470 6.184 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408576607 572261300 /nfs/dbraw/zinc/26/13/00/572261300.db2.gz XVXYWZKVGAPNRX-IBGZPJMESA-N 0 0 550.236 7.233 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCC ZINC000408577027 572261654 /nfs/dbraw/zinc/26/16/54/572261654.db2.gz YKJJMICATKNSTB-FQEVSTJZSA-N 0 0 521.437 5.554 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408577005 572261681 /nfs/dbraw/zinc/26/16/81/572261681.db2.gz YINUZBCUWKASSQ-RUZDIDTESA-N 0 0 525.030 6.235 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccccc1 ZINC000408577360 572261908 /nfs/dbraw/zinc/26/19/08/572261908.db2.gz ZAYBCHSHQNYVNO-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408577760 572262339 /nfs/dbraw/zinc/26/23/39/572262339.db2.gz ZTWBZRAIYUATLU-DEOSSOPVSA-N 0 0 600.451 5.944 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408577788 572262408 /nfs/dbraw/zinc/26/24/08/572262408.db2.gz ZWMPFLOVYFPCCE-HXUWFJFHSA-N 0 0 515.791 6.580 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000408588405 572266824 /nfs/dbraw/zinc/26/68/24/572266824.db2.gz WANQKMUXPOSVRI-UHFFFAOYSA-N 0 0 587.279 5.802 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408603149 572273643 /nfs/dbraw/zinc/27/36/43/572273643.db2.gz AYLIJURMHKLJDK-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408603252 572273651 /nfs/dbraw/zinc/27/36/51/572273651.db2.gz BRJCIMHEQJMUPU-UHFFFAOYSA-N 0 0 596.702 7.424 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc21 ZINC000408603933 572273866 /nfs/dbraw/zinc/27/38/66/572273866.db2.gz CDVYXSPAQBVPFH-UHFFFAOYSA-N 0 0 540.357 6.552 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408605936 572274632 /nfs/dbraw/zinc/27/46/32/572274632.db2.gz HODHFYXDBLSXEC-UHFFFAOYSA-N 0 0 504.324 5.708 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408607292 572275079 /nfs/dbraw/zinc/27/50/79/572275079.db2.gz JRNCPTWAMAASIH-UHFFFAOYSA-N 0 0 581.217 7.140 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408608173 572275383 /nfs/dbraw/zinc/27/53/83/572275383.db2.gz MVKZRHIMDFDWHX-UHFFFAOYSA-N 0 0 580.291 5.819 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1 ZINC000408609894 572275974 /nfs/dbraw/zinc/27/59/74/572275974.db2.gz PIEDOFBWZFUSJY-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl ZINC000408610583 572276184 /nfs/dbraw/zinc/27/61/84/572276184.db2.gz QIFLIKLFKDZAIY-UHFFFAOYSA-N 0 0 504.768 5.949 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408611425 572276567 /nfs/dbraw/zinc/27/65/67/572276567.db2.gz SCCNARFEOWDEIJ-UHFFFAOYSA-N 0 0 566.264 5.429 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408615937 572278526 /nfs/dbraw/zinc/27/85/26/572278526.db2.gz DDYFLHQRQOOOGB-UHFFFAOYSA-N 0 0 624.159 6.867 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408616970 572279168 /nfs/dbraw/zinc/27/91/68/572279168.db2.gz DMDYARVKZODGHQ-UHFFFAOYSA-N 0 0 548.017 5.186 40 5 KKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCc1ccccc1 ZINC000408622571 572282083 /nfs/dbraw/zinc/28/20/83/572282083.db2.gz RGVHGBMIWXOEFL-UHFFFAOYSA-N 0 0 518.307 5.348 40 5 KKBBRN COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 ZINC000408626041 572283644 /nfs/dbraw/zinc/28/36/44/572283644.db2.gz ZDPHLWJRWNEGTA-UHFFFAOYSA-N 0 0 518.307 5.348 40 5 KKBBRN CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)ccc21 ZINC000408630103 572285806 /nfs/dbraw/zinc/28/58/06/572285806.db2.gz NQTZTZKJQYUUMT-UHFFFAOYSA-N 0 0 528.590 5.557 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408636765 572293639 /nfs/dbraw/zinc/29/36/39/572293639.db2.gz BVFKHNPLTYIDKM-OAQYLSRUSA-N 0 0 510.502 5.319 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C ZINC000408637439 572294385 /nfs/dbraw/zinc/29/43/85/572294385.db2.gz KNGYHCQBZAKULY-RUZDIDTESA-N 0 0 608.603 6.002 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C ZINC000408637421 572294391 /nfs/dbraw/zinc/29/43/91/572294391.db2.gz KDVAUULNIRTHAW-DEOSSOPVSA-N 0 0 580.593 6.575 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000408637548 572294478 /nfs/dbraw/zinc/29/44/78/572294478.db2.gz AHLFQHMWGYGNJP-UHFFFAOYSA-N 0 0 668.467 5.514 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 ZINC000408637659 572294553 /nfs/dbraw/zinc/29/45/53/572294553.db2.gz MNXYUPIAQZUJTJ-RUZDIDTESA-N 0 0 636.657 6.683 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408637916 572294717 /nfs/dbraw/zinc/29/47/17/572294717.db2.gz NZDNDDFMUFUEQC-HSZRJFAPSA-N 0 0 536.540 5.833 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000408638020 572294804 /nfs/dbraw/zinc/29/48/04/572294804.db2.gz BLQFARKWIKRZOH-UHFFFAOYSA-N 0 0 597.967 5.312 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 ZINC000408638774 572295347 /nfs/dbraw/zinc/29/53/47/572295347.db2.gz DJDRCTLJUNSQBC-UHFFFAOYSA-N 0 0 648.411 5.666 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639152 572295601 /nfs/dbraw/zinc/29/56/01/572295601.db2.gz VONASHDFZJKZMX-HHHXNRCGSA-N 0 0 628.637 7.625 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639595 572295983 /nfs/dbraw/zinc/29/59/83/572295983.db2.gz GBDSCZXKIDROFM-UHFFFAOYSA-N 0 0 871.514 8.627 40 5 KKBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408639833 572296051 /nfs/dbraw/zinc/29/60/51/572296051.db2.gz GIBFOYLMAZYOAS-HNNXBMFYSA-N 0 0 595.222 6.523 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408640075 572296303 /nfs/dbraw/zinc/29/63/03/572296303.db2.gz HESJYUXJONBFAS-CLJLJLNGSA-N 0 0 601.999 5.049 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640453 572296406 /nfs/dbraw/zinc/29/64/06/572296406.db2.gz HZQXAKABUAERSQ-GOTSBHOMSA-N 0 0 624.433 5.536 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000408642441 572297668 /nfs/dbraw/zinc/29/76/68/572297668.db2.gz DVWIFYULOBDHRX-BOVDGQEDSA-N 0 0 573.989 5.478 40 5 KKBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408642734 572297927 /nfs/dbraw/zinc/29/79/27/572297927.db2.gz FCUJLDVJNMZUDT-AKRGNFOKSA-N 0 0 573.989 5.478 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000408642843 572297983 /nfs/dbraw/zinc/29/79/83/572297983.db2.gz OBIBWARNXYJHGC-UHFFFAOYSA-N 0 0 589.969 5.065 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408643090 572298048 /nfs/dbraw/zinc/29/80/48/572298048.db2.gz ORDLHNFKYSNQFD-UHFFFAOYSA-N 0 0 789.969 6.089 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408643094 572298067 /nfs/dbraw/zinc/29/80/67/572298067.db2.gz FNKJRZGNHQGHTH-QYVRTBTHSA-N 0 0 592.007 5.381 40 5 KKBBRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408643122 572298087 /nfs/dbraw/zinc/29/80/87/572298087.db2.gz FOISESVTXRBDTF-DEOSSOPVSA-N 0 0 578.621 6.492 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408643361 572298139 /nfs/dbraw/zinc/29/81/39/572298139.db2.gz PGSOUMQTAJGSCN-ILBGXUMGSA-N 0 0 601.999 5.049 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408643861 572298405 /nfs/dbraw/zinc/29/84/05/572298405.db2.gz QDFCAGHMYQKVJN-UHFFFAOYSA-N 0 0 813.862 7.488 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408644322 572298548 /nfs/dbraw/zinc/29/85/48/572298548.db2.gz QXYGOPKGDQZTKS-UIOOFZCWSA-N 0 0 573.989 5.622 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2)cc1 ZINC000408644462 572298725 /nfs/dbraw/zinc/29/87/25/572298725.db2.gz RLPPBLREDUJBLW-UHFFFAOYSA-N 0 0 915.161 7.257 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408645181 572299079 /nfs/dbraw/zinc/29/90/79/572299079.db2.gz HQSMAYKIQCTDOF-YASBFDIKSA-N 0 0 684.104 7.173 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408646051 572299580 /nfs/dbraw/zinc/29/95/80/572299580.db2.gz SXJZWIPFEAQGPH-UHFFFAOYSA-N 0 0 652.830 6.311 40 5 KKBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408646804 572300165 /nfs/dbraw/zinc/30/01/65/572300165.db2.gz UPSJRXXDBSGVMX-NSHDSACASA-N 0 0 758.999 6.570 40 5 KKBBRN 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/nfs/dbraw/zinc/86/85/58/1069868558.db2.gz BXFXVQHPBZZLMW-ZTJHJZSNSA-N 0 0 694.560 5.065 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408765974 1069868682 /nfs/dbraw/zinc/86/86/82/1069868682.db2.gz CFAQMXNEBMKYTH-UUGOHJJBSA-N 0 0 660.535 6.811 40 5 KKBBRN CC(=O)Oc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771404 1069871421 /nfs/dbraw/zinc/87/14/21/1069871421.db2.gz HUZFLFNVFILVTA-LNXFQTKESA-N 0 0 775.362 5.361 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408769716 1069876726 /nfs/dbraw/zinc/87/67/26/1069876726.db2.gz ZZNNUWGXOAOSBI-LRUGRNCASA-N 0 0 630.053 5.896 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)c1 ZINC000408770474 1069879722 /nfs/dbraw/zinc/87/97/22/1069879722.db2.gz XYVUFPRMPFHIJL-ISZRBDKASA-N 0 0 632.698 5.370 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)c1 ZINC000408780597 1069904516 /nfs/dbraw/zinc/90/45/16/1069904516.db2.gz FWJTWUQBSMTWKH-IKHSWBDUSA-N 0 0 655.736 5.794 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408782641 1069907539 /nfs/dbraw/zinc/90/75/39/1069907539.db2.gz XYLDXXZOFIJONR-OKMHPQNISA-N 0 0 647.625 5.836 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408786650 1069922356 /nfs/dbraw/zinc/92/23/56/1069922356.db2.gz LONQTWFDPXQRON-NQUBGTRZSA-N 0 0 645.737 6.213 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408791521 1069930297 /nfs/dbraw/zinc/93/02/97/1069930297.db2.gz ZPAPXYOUEHFMTR-UDHMSBBDSA-N 0 0 601.684 5.815 40 5 KKBBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1Nc1ccccc1 ZINC000408800213 1069936063 /nfs/dbraw/zinc/93/60/63/1069936063.db2.gz NVYGDYHDGBNWAH-DIHMQARBSA-N 0 0 528.654 7.228 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408812784 1069969206 /nfs/dbraw/zinc/96/92/06/1069969206.db2.gz NLTXRGCBFNYKLE-MFCBUNOESA-N 0 0 608.047 5.078 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408818780 1069977571 /nfs/dbraw/zinc/97/75/71/1069977571.db2.gz OWBWGKLZNMVGAN-HMAPJEAMSA-N 0 0 555.406 6.576 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823884 1069990106 /nfs/dbraw/zinc/99/01/06/1069990106.db2.gz FSRUEXPGVVKKJN-MIUGUJGPSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408824901 1070010987 /nfs/dbraw/zinc/01/09/87/1070010987.db2.gz BFVQKCNLOWVUFL-FWESEHMYSA-N 0 0 625.634 5.252 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408834401 1070033624 /nfs/dbraw/zinc/03/36/24/1070033624.db2.gz ZAEYHZHUQSEZJJ-ZGOFBEGVSA-N 0 0 688.080 5.880 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1sc2ccccc2c1Cl ZINC000408839180 1070040546 /nfs/dbraw/zinc/04/05/46/1070040546.db2.gz OJEYMVUFHMVMHQ-GZTJUZNOSA-N 0 0 595.441 7.895 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408841987 1070045084 /nfs/dbraw/zinc/04/50/84/1070045084.db2.gz HOGJAPGDHURGAI-YBFXNURJSA-N 0 0 593.957 6.334 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(I)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408842958 1070046875 /nfs/dbraw/zinc/04/68/75/1070046875.db2.gz KTZFSVVVFLFSGD-XOBACGFXSA-N 0 0 686.325 5.300 40 5 KKBBRN Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c1 ZINC000408838458 1070047910 /nfs/dbraw/zinc/04/79/10/1070047910.db2.gz FNCFHPHBZADUHN-XDHOZWIPSA-N 0 0 518.934 6.335 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408844373 1070050306 /nfs/dbraw/zinc/05/03/06/1070050306.db2.gz NXDJHEYXTJTBNN-GZTJUZNOSA-N 0 0 595.441 7.895 40 5 KKBBRN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000408846183 1070053370 /nfs/dbraw/zinc/05/33/70/1070053370.db2.gz RBTXZUKWJAFVOL-UHFFFAOYSA-N 0 0 526.357 6.017 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408853376 1070070202 /nfs/dbraw/zinc/07/02/02/1070070202.db2.gz RSXOFHNDLOZZNN-FVUNBJOLSA-N 0 0 804.517 7.285 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] ZINC000408906550 1070180556 /nfs/dbraw/zinc/18/05/56/1070180556.db2.gz HDWKUDXSNNTIRS-UHFFFAOYSA-N 0 0 513.881 5.629 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917110 1070206663 /nfs/dbraw/zinc/20/66/63/1070206663.db2.gz MUZJDVCZJQFFOF-WSDLNYQXSA-N 0 0 651.276 6.777 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408917915 1070209836 /nfs/dbraw/zinc/20/98/36/1070209836.db2.gz CQLBCLQDIHCEDY-YDZHTSKRSA-N 0 0 524.982 6.381 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 ZINC000408917959 1070230104 /nfs/dbraw/zinc/23/01/04/1070230104.db2.gz DELZLAOSQSNHAW-CAZKKTPXSA-N 0 0 509.743 5.151 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408918602 1070232601 /nfs/dbraw/zinc/23/26/01/1070232601.db2.gz MMTIYTTZQIMNDE-AFUMVMLFSA-N 0 0 501.539 6.282 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408919003 1070233948 /nfs/dbraw/zinc/23/39/48/1070233948.db2.gz ROZRJKYHNKLDFG-PKYOQBLNSA-N 0 0 579.634 5.428 40 5 KKBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408926051 1070237732 /nfs/dbraw/zinc/23/77/32/1070237732.db2.gz NJKMGCKXKKOMED-ZXVVBBHZSA-N 0 0 527.602 6.192 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1c3ccccc3C2(Cl)c2ccccc21 ZINC000408919221 1070235222 /nfs/dbraw/zinc/23/52/22/1070235222.db2.gz UZKRASNYYGYUDN-CAZKKTPXSA-N 0 0 509.743 5.104 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932796 1070263792 /nfs/dbraw/zinc/26/37/92/1070263792.db2.gz FBLOTXUTYVZPRC-UUYOSTAYSA-N 0 0 571.970 5.650 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936348 1070276016 /nfs/dbraw/zinc/27/60/16/1070276016.db2.gz HVVTVPBEMASALS-NBQDTTAVSA-N 0 0 736.641 6.234 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n21 ZINC000408949833 1070306681 /nfs/dbraw/zinc/30/66/81/1070306681.db2.gz SFDMVMJIANCMBY-ZFWDJNJRSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946934 1070310204 /nfs/dbraw/zinc/31/02/04/1070310204.db2.gz ZPNQDWZFPOOOFM-BUDNTJSZSA-N 0 0 761.478 7.142 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975422 1070336702 /nfs/dbraw/zinc/33/67/02/1070336702.db2.gz JYTSEBDNRLAWSD-DDBFQISPSA-N 0 0 548.664 5.503 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985892 1070347367 /nfs/dbraw/zinc/34/73/67/1070347367.db2.gz LAZPQJWKCDEXAD-HVDVVURSSA-N 0 0 578.690 5.512 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408989456 1070353694 /nfs/dbraw/zinc/35/36/94/1070353694.db2.gz HSHIOEIWNIEOFB-YUEMOGKHSA-N 0 0 659.764 6.546 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408989392 1070353724 /nfs/dbraw/zinc/35/37/24/1070353724.db2.gz HQMCUPPZLGUCOQ-UHFFFAOYSA-N 0 0 625.757 8.254 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408995236 1070363074 /nfs/dbraw/zinc/36/30/74/1070363074.db2.gz BAXVEXIPMXMMHP-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408993405 1070368897 /nfs/dbraw/zinc/36/88/97/1070368897.db2.gz DOTRSAOSRXOAKI-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408999413 1070374113 /nfs/dbraw/zinc/37/41/13/1070374113.db2.gz CRXWOLURHCWVLG-MHZLTWQESA-N 0 0 528.008 6.055 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc3ccccc32)C4=O)ccc1Br ZINC000408999407 1070374196 /nfs/dbraw/zinc/37/41/96/1070374196.db2.gz KVAODCZJNYPPEZ-UHFFFAOYSA-N 0 0 566.411 7.825 40 5 KKBBRN O=C1NC(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 ZINC000409012409 1070390471 /nfs/dbraw/zinc/39/04/71/1070390471.db2.gz JVCJEKPAWXRSEL-UDWIEESQSA-N 0 0 573.197 5.796 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409009954 1070387748 /nfs/dbraw/zinc/38/77/48/1070387748.db2.gz IWHKJYRMVKWOQI-MQMKENTISA-N 0 0 626.425 5.165 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409013246 1070390821 /nfs/dbraw/zinc/39/08/21/1070390821.db2.gz MTNUXOSMXLDZRU-RNDVCUHJSA-N 0 0 521.389 5.780 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409016073 1070396250 /nfs/dbraw/zinc/39/62/50/1070396250.db2.gz SEJXCNJFXKYPMF-YZSQISJMSA-N 0 0 714.538 5.172 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409017225 1070397560 /nfs/dbraw/zinc/39/75/60/1070397560.db2.gz XXGRGPJCOWCNMS-PVGUKEHMSA-N 0 0 582.416 6.012 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030046 1070412518 /nfs/dbraw/zinc/41/25/18/1070412518.db2.gz BXHKYRKGZFAMGP-PNQAETMRSA-N 0 0 813.667 6.085 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N1 ZINC000409032263 1070419173 /nfs/dbraw/zinc/41/91/73/1070419173.db2.gz BYDUHGPYJXNXMX-QTTRZTASSA-N 0 0 652.523 5.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032855 1070420815 /nfs/dbraw/zinc/42/08/15/1070420815.db2.gz JQQKBAWWMJAQIN-QEEORQGDSA-N 0 0 892.519 5.603 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038578 1070429109 /nfs/dbraw/zinc/42/91/09/1070429109.db2.gz PLIPDODQMYPHCZ-OCDQFKQQSA-N 0 0 722.614 5.844 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409034560 1070432726 /nfs/dbraw/zinc/43/27/26/1070432726.db2.gz HMKPRKIGMUTFDL-QPJBPQEWSA-N 0 0 608.072 5.409 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000409034853 1070433529 /nfs/dbraw/zinc/43/35/29/1070433529.db2.gz IGJKPDOSJGBVHN-KOHOJCOXSA-N 0 0 736.641 6.236 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409037180 1070439103 /nfs/dbraw/zinc/43/91/03/1070439103.db2.gz SJSMIUVIJOVPTD-STZFKDTASA-N 0 0 524.396 5.541 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 ZINC000409040408 1070442382 /nfs/dbraw/zinc/44/23/82/1070442382.db2.gz UCYZGVLSCZLZJK-FQKMCRJQSA-N 0 0 652.523 5.516 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409043302 1070448834 /nfs/dbraw/zinc/44/88/34/1070448834.db2.gz DTKXIGTTXRDVBK-FQKMCRJQSA-N 0 0 686.968 6.171 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050419 1070464598 /nfs/dbraw/zinc/46/45/98/1070464598.db2.gz VNFZTCSEIKTUHJ-UJFVOQSLSA-N 0 0 835.513 6.305 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049990 1070464666 /nfs/dbraw/zinc/46/46/66/1070464666.db2.gz RWIQWRJIEIUBEY-IVRZUQNJSA-N 0 0 784.613 5.138 40 5 KKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)C(c1ccccc1)c1ccccc1 ZINC000409054087 1070474088 /nfs/dbraw/zinc/47/40/88/1070474088.db2.gz RCOJVJODDAHVIC-UHFFFAOYSA-N 0 0 509.562 7.295 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409080514 1070502551 /nfs/dbraw/zinc/50/25/51/1070502551.db2.gz FCWCYZGBLJRDFV-JAYSWQADSA-N 0 0 637.095 5.419 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081082 1070503871 /nfs/dbraw/zinc/50/38/71/1070503871.db2.gz GDUGLADQCSTNFZ-YXDQGSNCSA-N 0 0 658.914 5.391 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 ZINC000409085833 1070511904 /nfs/dbraw/zinc/51/19/04/1070511904.db2.gz SNLIHMDXYPRSKS-HRIDGTDGSA-N 0 0 671.529 5.813 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409102042 1070535054 /nfs/dbraw/zinc/53/50/54/1070535054.db2.gz ZQLXQZBEZVKWFU-WWWKDLBZSA-N 0 0 628.776 5.480 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409167315 1070585365 /nfs/dbraw/zinc/58/53/65/1070585365.db2.gz IGIWFWJLZPELKE-SSDVNMTOSA-N 0 0 636.402 7.152 40 5 KKBBRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409176734 1070591328 /nfs/dbraw/zinc/59/13/28/1070591328.db2.gz WDFLKPADHGDOOU-SSEXGKCCSA-N 0 0 533.540 6.237 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 ZINC000409177384 1070592581 /nfs/dbraw/zinc/59/25/81/1070592581.db2.gz GEKBALDXCGXYMW-MHZLTWQESA-N 0 0 562.376 5.792 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179177 1070594587 /nfs/dbraw/zinc/59/45/87/1070594587.db2.gz PRFIVBLDUNSUAQ-NULZLWRNSA-N 0 0 563.635 5.321 40 5 KKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409178191 1070593486 /nfs/dbraw/zinc/59/34/86/1070593486.db2.gz JKOMXVJKJBDRRE-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409182006 1070599560 /nfs/dbraw/zinc/59/95/60/1070599560.db2.gz HLDFFYCYVIEAQN-FQEVSTJZSA-N 0 0 519.691 5.700 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409188613 1070596924 /nfs/dbraw/zinc/59/69/24/1070596924.db2.gz HVRVCIZBIDMXHH-LPYMAVHISA-N 0 0 636.851 7.071 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409182596 1070600869 /nfs/dbraw/zinc/60/08/69/1070600869.db2.gz MYXJBINJHFOIFL-HEVIKAOCSA-N 0 0 644.592 7.065 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1OCC ZINC000409192662 1070610684 /nfs/dbraw/zinc/61/06/84/1070610684.db2.gz DQHZLVICNSRSJT-CVGIPWMOSA-N 0 0 572.570 5.754 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409199235 1070624378 /nfs/dbraw/zinc/62/43/78/1070624378.db2.gz AIEZCCHYWXJQDD-SRZZPIQSSA-N 0 0 592.798 6.673 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409204535 1070630245 /nfs/dbraw/zinc/63/02/45/1070630245.db2.gz IGXRFOPKLCKPIN-YBFXNURJSA-N 0 0 524.473 5.786 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409225192 1070643123 /nfs/dbraw/zinc/64/31/23/1070643123.db2.gz JRYYRIAINFNIAO-WSDLNYQXSA-N 0 0 507.930 5.237 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409220422 1070647901 /nfs/dbraw/zinc/64/79/01/1070647901.db2.gz ZBXTZDOSTJSHFP-FOKLQQMPSA-N 0 0 637.386 7.096 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409263013 1070699115 /nfs/dbraw/zinc/69/91/15/1070699115.db2.gz JXSCWFBOKFKFGX-CFRMEGHHSA-N 0 0 615.433 6.393 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 ZINC000409270603 1070706294 /nfs/dbraw/zinc/70/62/94/1070706294.db2.gz HPPDAOLPMHKZJC-QRVIBDJDSA-N 0 0 508.939 5.746 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409272253 1070710085 /nfs/dbraw/zinc/71/00/85/1070710085.db2.gz FORATXIIOGFTJV-ZVHZXABRSA-N 0 0 529.530 5.692 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272586 1070710693 /nfs/dbraw/zinc/71/06/93/1070710693.db2.gz NJYWOCSUJZSHIH-FSJBWODESA-N 0 0 543.384 6.400 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1Cl ZINC000409274594 1070716011 /nfs/dbraw/zinc/71/60/11/1070716011.db2.gz QBRKVUFDIPHFLS-ROTLSHHCSA-N 0 0 577.018 5.935 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1Cl ZINC000409275798 1070719698 /nfs/dbraw/zinc/71/96/98/1070719698.db2.gz WYMCVRZXEHWYJX-WYMPLXKRSA-N 0 0 584.006 5.519 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1ccc(F)cc1 ZINC000408877794 1070805373 /nfs/dbraw/zinc/80/53/73/1070805373.db2.gz YNDDYGSMGJEMNS-GRSHGNNSSA-N 0 0 501.879 5.322 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409344822 1070853340 /nfs/dbraw/zinc/85/33/40/1070853340.db2.gz HJWVWEVTOXHFMU-SRZZPIQSSA-N 0 0 629.401 5.741 40 5 KKBBRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409356826 1070883869 /nfs/dbraw/zinc/88/38/69/1070883869.db2.gz GUEQSBLQKMLCLG-IBGZPJMESA-N 0 0 585.901 5.932 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408917069 1070994243 /nfs/dbraw/zinc/99/42/43/1070994243.db2.gz LVPVPLPIDDBDGJ-WSDLNYQXSA-N 0 0 528.945 6.211 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408916329 1071001379 /nfs/dbraw/zinc/00/13/79/1071001379.db2.gz BZHHOKAFLYLQNO-YDZHTSKRSA-N 0 0 569.979 6.371 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408916358 1071001989 /nfs/dbraw/zinc/00/19/89/1071001989.db2.gz WPPZRHIAZSCDPE-FWESEHMYSA-N 0 0 658.157 6.138 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408913660 1071016447 /nfs/dbraw/zinc/01/64/47/1071016447.db2.gz NHJHKXLNZMGABT-FWESEHMYSA-N 0 0 732.634 6.255 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000408927223 1071069145 /nfs/dbraw/zinc/06/91/45/1071069145.db2.gz OVUMKOQDFNMCAU-YMSBRDKKSA-N 0 0 584.075 5.462 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408925316 1071077768 /nfs/dbraw/zinc/07/77/68/1071077768.db2.gz PAWAYHRITJONEL-UHFFFAOYSA-N 0 0 544.851 5.228 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919450 1071120743 /nfs/dbraw/zinc/12/07/43/1071120743.db2.gz YBNCHQXIWLSUFG-YQORSWRPSA-N 0 0 509.743 5.151 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408918492 1071132817 /nfs/dbraw/zinc/13/28/17/1071132817.db2.gz LDGBWCQWUUAFNX-SRZZPIQSSA-N 0 0 594.270 7.480 40 5 KKBBRN O=C(Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408917869 1071140441 /nfs/dbraw/zinc/14/04/41/1071140441.db2.gz CDUPOLUUVKHOEW-ZVHZXABRSA-N 0 0 512.547 5.425 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917960 1071141878 /nfs/dbraw/zinc/14/18/78/1071141878.db2.gz DELZLAOSQSNHAW-ISQHLFTMSA-N 0 0 509.743 5.151 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917655 1071145194 /nfs/dbraw/zinc/14/51/94/1071145194.db2.gz ZIGVROQOUHUSTN-CIAFOILYSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408930340 1071161547 /nfs/dbraw/zinc/16/15/47/1071161547.db2.gz VTGIWWJKHCHJOF-DHRITJCHSA-N 0 0 547.589 5.474 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000408928775 1071180397 /nfs/dbraw/zinc/18/03/97/1071180397.db2.gz IJNBWYOGVWZMBN-NHDPSOOVSA-N 0 0 511.943 5.800 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000408927971 1071188702 /nfs/dbraw/zinc/18/87/02/1071188702.db2.gz ZBQUCDSLUMVBMY-USDTVRPUSA-N 0 0 615.733 5.396 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c(C)c1 ZINC000408927497 1071197853 /nfs/dbraw/zinc/19/78/53/1071197853.db2.gz WCZCMZMFPWBMSD-ZXVVBBHZSA-N 0 0 527.602 6.192 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214947578 1071205387 /nfs/dbraw/zinc/20/53/87/1071205387.db2.gz ZCKJXIBMNHVAGU-AFUMVMLFSA-N 0 0 550.514 7.796 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408936838 1071208466 /nfs/dbraw/zinc/20/84/66/1071208466.db2.gz GGBRSYKCLAICIJ-UONGPDOGSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936290 1071212183 /nfs/dbraw/zinc/21/21/83/1071212183.db2.gz HOLWNSPARSKTAU-VPHSIRQSSA-N 0 0 727.033 6.489 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408935247 1071223976 /nfs/dbraw/zinc/22/39/76/1071223976.db2.gz NBHKWSJITPSKLJ-UCQKPKSFSA-N 0 0 503.536 5.157 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408944513 1071257985 /nfs/dbraw/zinc/25/79/85/1071257985.db2.gz MSFRFWHMXJHPEP-QUNTYYFUSA-N 0 0 678.561 5.445 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408944414 1071286546 /nfs/dbraw/zinc/28/65/46/1071286546.db2.gz MISXFVINTDDXFH-SXSMZTLPSA-N 0 0 738.613 5.464 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944217 1071287160 /nfs/dbraw/zinc/28/71/60/1071287160.db2.gz UOGKIDKSKXZDMC-TZUCAZQYSA-N 0 0 722.614 5.844 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n21 ZINC000408943707 1071289601 /nfs/dbraw/zinc/28/96/01/1071289601.db2.gz LVVOCIPMEDJDCS-IYVASWNSSA-N 0 0 668.522 5.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941950 1071305365 /nfs/dbraw/zinc/30/53/65/1071305365.db2.gz QZTOZHXBRSYMAL-SUAMDDGLSA-N 0 0 608.072 5.407 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 ZINC000408937574 1071337751 /nfs/dbraw/zinc/33/77/51/1071337751.db2.gz GWXXPMBHRHXQEK-IYVASWNSSA-N 0 0 668.522 5.135 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684150 1071345599 /nfs/dbraw/zinc/34/55/99/1071345599.db2.gz MWJVVQRDPPMKQW-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408687016 1071347753 /nfs/dbraw/zinc/34/77/53/1071347753.db2.gz OHQWOHUCTWOYHP-CYBMUJFWSA-N 0 0 607.230 5.410 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408685976 1071353973 /nfs/dbraw/zinc/35/39/73/1071353973.db2.gz QSNCIOQSGMXRFX-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408686282 1071351802 /nfs/dbraw/zinc/35/18/02/1071351802.db2.gz RHUBBUDPDBRKQM-QYVZARNFSA-N 0 0 608.448 5.807 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683979 1071361923 /nfs/dbraw/zinc/36/19/23/1071361923.db2.gz MRHQQUJLTMIVON-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408683826 1071362397 /nfs/dbraw/zinc/36/23/97/1071362397.db2.gz MHDOYAPMLQMLOC-UHFFFAOYSA-N 0 0 795.858 7.261 40 5 KKBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683093 1071368137 /nfs/dbraw/zinc/36/81/37/1071368137.db2.gz HJYHYLCGJKUOMF-LBPRGKRZSA-N 0 0 591.231 5.854 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408682837 1071368311 /nfs/dbraw/zinc/36/83/11/1071368311.db2.gz JZCSXTLBTYGNDS-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408947619 1071370249 /nfs/dbraw/zinc/37/02/49/1071370249.db2.gz QLZQMVWQISSQJD-UONGPDOGSA-N 0 0 729.005 5.719 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408681243 1071375588 /nfs/dbraw/zinc/37/55/88/1071375588.db2.gz HLZBKDOIKCLYQS-UHFFFAOYSA-N 0 0 539.158 6.062 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n21 ZINC000408953064 1071397896 /nfs/dbraw/zinc/39/78/96/1071397896.db2.gz ONEHONHAZRWNOX-DHBMHUTOSA-N 0 0 707.386 6.433 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408958745 1071401038 /nfs/dbraw/zinc/40/10/38/1071401038.db2.gz WOVQSOHLEKMAIF-ZFWDJNJRSA-N 0 0 656.486 5.265 40 5 KKBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408690794 1071403057 /nfs/dbraw/zinc/40/30/57/1071403057.db2.gz WRVYFAKAGPUOCG-LBPRGKRZSA-N 0 0 577.204 5.545 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688610 1071420665 /nfs/dbraw/zinc/42/06/65/1071420665.db2.gz WJBHRPDKYPYNMJ-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408688428 1071421379 /nfs/dbraw/zinc/42/13/79/1071421379.db2.gz WHIVHHFCZIHJIA-UHFFFAOYSA-N 0 0 789.969 6.089 40 5 KKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704567 1071438359 /nfs/dbraw/zinc/43/83/59/1071438359.db2.gz PROFXGDHAGYMRV-QHCPKHFHSA-N 0 0 502.379 5.928 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408958731 1071439790 /nfs/dbraw/zinc/43/97/90/1071439790.db2.gz WNGVMFNHJCMUHP-YRSDHNRQSA-N 0 0 666.550 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408974710 1071478857 /nfs/dbraw/zinc/47/88/57/1071478857.db2.gz CFJCCNLQPULENB-LMSRTUJASA-N 0 0 594.045 5.019 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408987121 1071482503 /nfs/dbraw/zinc/48/25/03/1071482503.db2.gz ALNIJFKHTSXAGB-ARLGEPFESA-N 0 0 694.769 5.086 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408986862 1071486573 /nfs/dbraw/zinc/48/65/73/1071486573.db2.gz NLSORQQKYHCPTN-LLXISZFLSA-N 0 0 682.154 6.085 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408985557 1071499179 /nfs/dbraw/zinc/49/91/79/1071499179.db2.gz NKQPYGLAVDXUHH-OTHIGLTOSA-N 0 0 675.166 6.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985449 1071501075 /nfs/dbraw/zinc/50/10/75/1071501075.db2.gz KRROXLBKBNGWRA-CBZJRHMXSA-N 0 0 740.838 7.239 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408984902 1071503849 /nfs/dbraw/zinc/50/38/49/1071503849.db2.gz NGYGKSGQKANWSM-JREUYWDSSA-N 0 0 700.773 5.864 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 ZINC000408720471 1071512807 /nfs/dbraw/zinc/51/28/07/1071512807.db2.gz QLFBPYXHPNKIFL-ITWZUIQWSA-N 0 0 520.585 6.009 40 5 KKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] ZINC000408723618 1071527675 /nfs/dbraw/zinc/52/76/75/1071527675.db2.gz YEAMDILSKIZOLT-UHFFFAOYSA-N 0 0 504.524 6.171 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c2ccccc2ncc1-c1cnc2ccccc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408720266 1071545123 /nfs/dbraw/zinc/54/51/23/1071545123.db2.gz KNTMQPRYLADWTH-UHFFFAOYSA-N 0 0 584.548 6.771 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408720259 1071545137 /nfs/dbraw/zinc/54/51/37/1071545137.db2.gz KLPQNXYFYHXWMR-KDXFCVBFSA-N 0 0 536.584 5.709 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408978615 1071546562 /nfs/dbraw/zinc/54/65/62/1071546562.db2.gz AAXSUGHYSHEPIM-WGJPBTIMSA-N 0 0 761.050 6.847 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733727 1071550188 /nfs/dbraw/zinc/55/01/88/1071550188.db2.gz PCFXFCWCBJTJTE-QJWUKVPRSA-N 0 0 674.913 5.097 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733747 1071550605 /nfs/dbraw/zinc/55/06/05/1071550605.db2.gz PSKTVRZEYUVTLM-ZJTZAHLKSA-N 0 0 571.655 5.398 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408995425 1071552170 /nfs/dbraw/zinc/55/21/70/1071552170.db2.gz CORFMBLGGCQDHV-PNZYDNNZSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408995422 1071552191 /nfs/dbraw/zinc/55/21/91/1071552191.db2.gz COFZZRZBYSQFKQ-RWTNITNYSA-N 0 0 628.888 5.382 40 5 KKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408995058 1071555363 /nfs/dbraw/zinc/55/53/63/1071555363.db2.gz IHVXKVOHQBDTPO-UHFFFAOYSA-N 0 0 544.405 7.288 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994882 1071555763 /nfs/dbraw/zinc/55/57/63/1071555763.db2.gz HMDSWTCHMGUHEM-FUZBLHKMSA-N 0 0 707.830 6.543 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994874 1071555916 /nfs/dbraw/zinc/55/59/16/1071555916.db2.gz HLJRDQLZXWHFCM-FWESEHMYSA-N 0 0 658.157 6.479 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736141 1071557190 /nfs/dbraw/zinc/55/71/90/1071557190.db2.gz HVVXHZAJKGEFRW-VPHSIRQSSA-N 0 0 628.663 5.530 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736050 1071558251 /nfs/dbraw/zinc/55/82/51/1071558251.db2.gz CDMYYDZHEOUIQX-ISZRBDKASA-N 0 0 641.746 5.808 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408993712 1071563849 /nfs/dbraw/zinc/56/38/49/1071563849.db2.gz FDMQSNJZQLIONF-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734621 1071565295 /nfs/dbraw/zinc/56/52/95/1071565295.db2.gz ZVLXEOACVICAPM-IZBTWGKQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408993404 1071565944 /nfs/dbraw/zinc/56/59/44/1071565944.db2.gz DOTRSAOSRXOAKI-FWESEHMYSA-N 0 0 642.089 5.766 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733773 1071570306 /nfs/dbraw/zinc/57/03/06/1071570306.db2.gz QJORERVVSCXJLL-FZEVDNDPSA-N 0 0 907.908 7.408 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734101 1071567680 /nfs/dbraw/zinc/56/76/80/1071567680.db2.gz DBCQRAUVWGPGJO-FUFNRSNVSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733948 1071569088 /nfs/dbraw/zinc/56/90/88/1071569088.db2.gz SUKQEBJBYMTRST-OCDQFKQQSA-N 0 0 887.490 7.063 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733956 1071569111 /nfs/dbraw/zinc/56/91/11/1071569111.db2.gz TUOPWCOFDWMGOY-PRLWALMFSA-N 0 0 660.502 5.989 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733345 1071571423 /nfs/dbraw/zinc/57/14/23/1071571423.db2.gz HADLSLOWEOLNKL-QQMBNGEASA-N 0 0 656.116 6.199 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733411 1071571864 /nfs/dbraw/zinc/57/18/64/1071571864.db2.gz IKZFEZUFKKFSSQ-RIFKOAFWSA-N 0 0 686.142 6.208 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733205 1071572766 /nfs/dbraw/zinc/57/27/66/1071572766.db2.gz GHBYFBSIVRULNM-VPHSIRQSSA-N 0 0 721.529 6.140 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733206 1071572818 /nfs/dbraw/zinc/57/28/18/1071572818.db2.gz GHBYFBSIVRULNM-YVBHXKDBSA-N 0 0 721.529 6.140 40 5 KKBBRN O=c1[nH]c(-c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408992191 1071573136 /nfs/dbraw/zinc/57/31/36/1071573136.db2.gz QTSVODQYNDAGEC-UHFFFAOYSA-N 0 0 500.605 6.940 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733268 1071573418 /nfs/dbraw/zinc/57/34/18/1071573418.db2.gz WTOLETJBHKRVDK-SZYVSPPHSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733148 1071574837 /nfs/dbraw/zinc/57/48/37/1071574837.db2.gz FGVACGPXXGMKOY-QJWUKVPRSA-N 0 0 737.810 6.154 40 5 KKBBRN CCOc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991986 1071576635 /nfs/dbraw/zinc/57/66/35/1071576635.db2.gz PNXXCUCYGVSNLL-UHFFFAOYSA-N 0 0 550.687 7.401 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408992019 1071576703 /nfs/dbraw/zinc/57/67/03/1071576703.db2.gz PZRVWGSHRHEKMO-FUZBLHKMSA-N 0 0 659.764 6.546 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408732860 1071576845 /nfs/dbraw/zinc/57/68/45/1071576845.db2.gz ABCMTNRSTZTYLY-YRSDHNRQSA-N 0 0 684.941 7.187 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408992027 1071577152 /nfs/dbraw/zinc/57/71/52/1071577152.db2.gz QAVKRRFPEJDOEX-NKYAOSOXSA-N 0 0 686.196 6.789 40 5 KKBBRN CCOc1ccc2nc(Sc3ccc(-c4nc5sc(C)c(C)c5c(=O)[nH]4)cc3[N+](=O)[O-])sc2c1 ZINC000408991631 1071578576 /nfs/dbraw/zinc/57/85/76/1071578576.db2.gz OPKLLGKJMISOJV-UHFFFAOYSA-N 0 0 510.622 6.749 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730428 1071586946 /nfs/dbraw/zinc/58/69/46/1071586946.db2.gz QTSZAGGNPMDDCZ-IMUCPKNRSA-N 0 0 621.671 5.546 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408990588 1071587214 /nfs/dbraw/zinc/58/72/14/1071587214.db2.gz XNMMBXULBVUHET-MDINZUHSSA-N 0 0 670.747 5.855 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408990277 1071592030 /nfs/dbraw/zinc/59/20/30/1071592030.db2.gz KEVMBMYWAQTITH-OBVMJLIASA-N 0 0 604.691 5.060 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408990039 1071592584 /nfs/dbraw/zinc/59/25/84/1071592584.db2.gz UZTWFHOWVCDENM-ROOYPZPVSA-N 0 0 672.897 5.111 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408727993 1071597751 /nfs/dbraw/zinc/59/77/51/1071597751.db2.gz UGQWCFJHIBFPHK-NHDPSOOVSA-N 0 0 527.898 6.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729054 1071594876 /nfs/dbraw/zinc/59/48/76/1071594876.db2.gz CHDBQWJHJKSVLT-FUFNRSNVSA-N 0 0 707.502 5.831 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728282 1071597033 /nfs/dbraw/zinc/59/70/33/1071597033.db2.gz JHUVQIZXVTXHQM-TUUBTQOTSA-N 0 0 633.090 5.767 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(Cl)c(Br)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408988887 1071601094 /nfs/dbraw/zinc/60/10/94/1071601094.db2.gz SNFNLHLSDPDIST-XQAWFANUSA-N 0 0 672.941 5.780 40 5 KKBBRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988804 1071602612 /nfs/dbraw/zinc/60/26/12/1071602612.db2.gz FYVLRLDTJVBFHC-ROUUACIJSA-N 0 0 643.772 7.291 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408988491 1071605261 /nfs/dbraw/zinc/60/52/61/1071605261.db2.gz DPRNDEPGQNUYBP-IQPMGOHCSA-N 0 0 723.829 6.043 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408988496 1071605281 /nfs/dbraw/zinc/60/52/81/1071605281.db2.gz QZORPWIRNZZGDM-CTHKJOMYSA-N 0 0 869.475 6.632 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739070 1071605582 /nfs/dbraw/zinc/60/55/82/1071605582.db2.gz SNGOBLJROZADSH-LMSRTUJASA-N 0 0 594.045 5.019 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738795 1071607182 /nfs/dbraw/zinc/60/71/82/1071607182.db2.gz OWJFBBHPMCXVRP-RISWYLRJSA-N 0 0 638.496 5.128 40 5 KKBBRN Cc1sc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1-c1ccccc1 ZINC000408738867 1071607789 /nfs/dbraw/zinc/60/77/89/1071607789.db2.gz WOECUQIHEWIMHJ-RUZDIDTESA-N 0 0 515.591 6.108 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408996931 1071615901 /nfs/dbraw/zinc/61/59/01/1071615901.db2.gz FMNYUXBULADRED-FUFNRSNVSA-N 0 0 664.534 5.057 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCc1ccccc1 ZINC000409005998 1071626999 /nfs/dbraw/zinc/62/69/99/1071626999.db2.gz IBCCFOMJRVALLL-HMAPJEAMSA-N 0 0 618.303 6.978 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1 ZINC000408756750 1071635978 /nfs/dbraw/zinc/63/59/78/1071635978.db2.gz JFODPCCDXKAAEF-UHFFFAOYSA-N 0 0 531.362 6.685 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408756647 1071637699 /nfs/dbraw/zinc/63/76/99/1071637699.db2.gz ITIXFNSKTJPYEK-KFOJKGMOSA-N 0 0 853.476 7.024 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755820 1071641030 /nfs/dbraw/zinc/64/10/30/1071641030.db2.gz FYNQXXUXQARGAS-YVBHXKDBSA-N 0 0 689.385 7.012 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] ZINC000408755258 1071645591 /nfs/dbraw/zinc/64/55/91/1071645591.db2.gz CHQCNDSIDLOJCS-KFOJKGMOSA-N 0 0 714.619 6.066 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409001902 1071643429 /nfs/dbraw/zinc/64/34/29/1071643429.db2.gz XPTDZVXTANSDBK-WAHKBFHJSA-N 0 0 612.776 6.964 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408754793 1071648280 /nfs/dbraw/zinc/64/82/80/1071648280.db2.gz IORLUZPWAWCBJE-VEOKEAFVSA-N 0 0 708.705 5.562 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755035 1071648310 /nfs/dbraw/zinc/64/83/10/1071648310.db2.gz BDPOOHCITIYPJO-DDIUQFJASA-N 0 0 591.645 5.504 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754738 1071650552 /nfs/dbraw/zinc/65/05/52/1071650552.db2.gz HTGUPTWTNPOSSE-DDIUQFJASA-N 0 0 602.628 5.927 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409000055 1071652019 /nfs/dbraw/zinc/65/20/19/1071652019.db2.gz MIRISLYGUMMDOP-NXYYLBPMSA-N 0 0 803.669 7.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408999636 1071653019 /nfs/dbraw/zinc/65/30/19/1071653019.db2.gz VGTCJUWJUIYUDJ-MFUBYVTQSA-N 0 0 673.339 5.492 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408753115 1071660822 /nfs/dbraw/zinc/66/08/22/1071660822.db2.gz HVNPCJLSBOTFPD-PEPUGYCWSA-N 0 0 805.501 6.956 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408752049 1071666795 /nfs/dbraw/zinc/66/67/95/1071666795.db2.gz FACWATWAJFLWTE-FUFNRSNVSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408751941 1071667913 /nfs/dbraw/zinc/66/79/13/1071667913.db2.gz AOOJQVAIYNZMMJ-FUZBLHKMSA-N 0 0 626.734 6.259 40 5 KKBBRN COc1ccc(OC)c(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000408748402 1071692198 /nfs/dbraw/zinc/69/21/98/1071692198.db2.gz AEBRKIUOFFPQIO-UHFFFAOYSA-N 0 0 507.549 5.315 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409008855 1071697694 /nfs/dbraw/zinc/69/76/94/1071697694.db2.gz NBUMELPLYVUQQY-NNLQFVHNSA-N 0 0 569.817 5.578 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408758622 1071704680 /nfs/dbraw/zinc/70/46/80/1071704680.db2.gz NYFJJNDAMQEJQL-JBVGNYNVSA-N 0 0 677.735 5.440 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757705 1071709676 /nfs/dbraw/zinc/70/96/76/1071709676.db2.gz PAUIIRWNXYRESU-PKYOQBLNSA-N 0 0 566.038 6.140 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758407 1071705899 /nfs/dbraw/zinc/70/58/99/1071705899.db2.gz ZODGCPUQCRLUCJ-USDTVRPUSA-N 0 0 610.489 6.249 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758406 1071706047 /nfs/dbraw/zinc/70/60/47/1071706047.db2.gz ZODGCPUQCRLUCJ-PKYOQBLNSA-N 0 0 610.489 6.249 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408757709 1071709775 /nfs/dbraw/zinc/70/97/75/1071709775.db2.gz PCEPZNFBCAKMMQ-UHFFFAOYSA-N 0 0 622.519 8.523 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408757982 1071709810 /nfs/dbraw/zinc/70/98/10/1071709810.db2.gz SYPYMAQFKFBIIH-UHAPOFRNSA-N 0 0 757.606 6.428 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758202 1071706912 /nfs/dbraw/zinc/70/69/12/1071706912.db2.gz WUUIVIPCBGPZQC-XIQRNRDISA-N 0 0 695.753 6.617 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408758115 1071708367 /nfs/dbraw/zinc/70/83/67/1071708367.db2.gz VMZWRMDXDFFBTM-ISZRBDKASA-N 0 0 650.554 6.568 40 5 KKBBRN O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 ZINC000408757882 1071708741 /nfs/dbraw/zinc/70/87/41/1071708741.db2.gz RJTUJTAPZLEQHP-UHFFFAOYSA-N 0 0 538.357 7.208 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C ZINC000408757890 1071708891 /nfs/dbraw/zinc/70/88/91/1071708891.db2.gz RQZZLRXEFORUKM-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408757937 1071709192 /nfs/dbraw/zinc/70/91/92/1071709192.db2.gz SMYJYTXFBJLHIM-UHFFFAOYSA-N 0 0 514.969 6.792 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n31)c1ccccc1CC2 ZINC000408757453 1071712088 /nfs/dbraw/zinc/71/20/88/1071712088.db2.gz NLXKRKGADZFYMN-NSFGRKQPSA-N 0 0 665.727 6.608 40 5 KKBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757323 1071712952 /nfs/dbraw/zinc/71/29/52/1071712952.db2.gz MAMUBVLRBFSAMO-HZHHUVPKSA-N 0 0 650.554 6.568 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757397 1071713537 /nfs/dbraw/zinc/71/35/37/1071713537.db2.gz MWEVPYBRDFJQIE-QQMBNGEASA-N 0 0 808.346 8.093 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408762812 1071734048 /nfs/dbraw/zinc/73/40/48/1071734048.db2.gz GIHZYZVZEVOUSS-PMYQURGISA-N 0 0 738.731 5.570 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770418 1071743402 /nfs/dbraw/zinc/74/34/02/1071743402.db2.gz XHLMSHZKPMCIHQ-CJCCVFIKSA-N 0 0 834.452 5.958 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409036646 1071741474 /nfs/dbraw/zinc/74/14/74/1071741474.db2.gz SADPPCIYVYLVEJ-UAMLYEQYSA-N 0 0 648.137 5.728 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035899 1071747493 /nfs/dbraw/zinc/74/74/93/1071747493.db2.gz UPIODUJGARJRFT-PIXWUVMMSA-N 0 0 682.549 5.525 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770007 1071745188 /nfs/dbraw/zinc/74/51/88/1071745188.db2.gz RTIZOTUKEWTDEG-CRVZZPNQSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035681 1071750178 /nfs/dbraw/zinc/75/01/78/1071750178.db2.gz QAXDHYBOSSAWPN-GWRYVSOYSA-N 0 0 757.059 6.497 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)sc2=N1 ZINC000409035418 1071750571 /nfs/dbraw/zinc/75/05/71/1071750571.db2.gz JTOMORSWKYLBKJ-LCQSEVKBSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035469 1071751132 /nfs/dbraw/zinc/75/11/32/1071751132.db2.gz PTBNQMFIUNTJSQ-YIZDPVPOSA-N 0 0 716.552 5.224 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409034989 1071754913 /nfs/dbraw/zinc/75/49/13/1071754913.db2.gz RPTXFBIPUYFYHS-UQDCTOEPSA-N 0 0 666.550 5.826 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408775393 1071755119 /nfs/dbraw/zinc/75/51/19/1071755119.db2.gz SMLVLCQUZJIXAH-SCRHHBKZSA-N 0 0 617.465 5.949 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034780 1071757961 /nfs/dbraw/zinc/75/79/61/1071757961.db2.gz RAOMSRTWPKMSPH-XXNQQEORSA-N 0 0 841.646 5.519 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)S2)cc1 ZINC000408773311 1071769450 /nfs/dbraw/zinc/76/94/50/1071769450.db2.gz HZPYTWFBXPQBLT-NFYDWNOTSA-N 0 0 570.465 6.107 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409033139 1071772137 /nfs/dbraw/zinc/77/21/37/1071772137.db2.gz DVMHZYBRUCIMRN-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772680 1071772290 /nfs/dbraw/zinc/77/22/90/1071772290.db2.gz GZLBMYLUWQNJEG-LKWZWFHSSA-N 0 0 631.492 6.339 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032681 1071777643 /nfs/dbraw/zinc/77/76/43/1071777643.db2.gz MHXIUUPFXNYIEG-BXMULHQWSA-N 0 0 712.608 6.388 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770300 1071785454 /nfs/dbraw/zinc/78/54/54/1071785454.db2.gz VUERWKNSTSRBNL-IHWJNSMWSA-N 0 0 755.556 5.195 40 5 KKBBRN O=c1/c(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771243 1071782175 /nfs/dbraw/zinc/78/21/75/1071782175.db2.gz GFTMWUQPIONOBY-SODCYNRPSA-N 0 0 640.548 7.113 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409032011 1071784625 /nfs/dbraw/zinc/78/46/25/1071784625.db2.gz BXNXIDDOBARRAZ-UDHMSBBDSA-N 0 0 650.757 5.805 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408769678 1071790188 /nfs/dbraw/zinc/79/01/88/1071790188.db2.gz ZAXXNCHBEWVSML-SCRHHBKZSA-N 0 0 570.465 6.107 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000409031138 1071792052 /nfs/dbraw/zinc/79/20/52/1071792052.db2.gz IXPIBEWZRWKIGN-DXUGRCAZSA-N 0 0 692.190 6.126 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408769179 1071794759 /nfs/dbraw/zinc/79/47/59/1071794759.db2.gz LOTWQDBPMOQJJE-CBYYHRJHSA-N 0 0 626.112 5.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408769180 1071794884 /nfs/dbraw/zinc/79/48/84/1071794884.db2.gz LOTWQDBPMOQJJE-PNZYDNNZSA-N 0 0 626.112 5.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768453 1071800735 /nfs/dbraw/zinc/80/07/35/1071800735.db2.gz JJAWNUSUNJCRKW-MQIAMDAWSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029699 1071807146 /nfs/dbraw/zinc/80/71/46/1071807146.db2.gz AKGSLUOCAAHBLI-HNVAQCFTSA-N 0 0 636.726 5.055 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029700 1071803929 /nfs/dbraw/zinc/80/39/29/1071803929.db2.gz AKGSLUOCAAHBLI-JESJEVRBSA-N 0 0 636.726 5.055 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc54)c(=O)n32)c1 ZINC000408767951 1071804116 /nfs/dbraw/zinc/80/41/16/1071804116.db2.gz HKLMTVGIQGNBAJ-AZJUONQGSA-N 0 0 581.697 6.189 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409029502 1071808372 /nfs/dbraw/zinc/80/83/72/1071808372.db2.gz BFJATFYAFJVZRZ-BKUYFWCQSA-N 0 0 509.971 5.440 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408782326 1071812001 /nfs/dbraw/zinc/81/20/01/1071812001.db2.gz HBNZXRBOLGNKIO-MFUBYVTQSA-N 0 0 719.433 5.872 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408781920 1071814859 /nfs/dbraw/zinc/81/48/59/1071814859.db2.gz FQYXAIQRCDFQSC-QDNAUZDWSA-N 0 0 713.335 6.545 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)S2)cc1 ZINC000408780835 1071821764 /nfs/dbraw/zinc/82/17/64/1071821764.db2.gz LUUOWHVIJJBVNQ-AOLPSBPOSA-N 0 0 530.433 6.643 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037530 1071822790 /nfs/dbraw/zinc/82/27/90/1071822790.db2.gz SQVQNAPUGVAESF-LMWPEEHHSA-N 0 0 741.697 5.468 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408779786 1071827710 /nfs/dbraw/zinc/82/77/10/1071827710.db2.gz KJMRFKCLTVHNAS-KEPJHFNWSA-N 0 0 611.035 6.049 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408780256 1071825411 /nfs/dbraw/zinc/82/54/11/1071825411.db2.gz ACQCYWSAHZSSTL-QDNAUZDWSA-N 0 0 666.335 6.703 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408777643 1071842093 /nfs/dbraw/zinc/84/20/93/1071842093.db2.gz DWEFDQYFOZRUGR-OIUASMPBSA-N 0 0 637.073 6.581 40 5 KKBBRN O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408787209 1071844803 /nfs/dbraw/zinc/84/48/03/1071844803.db2.gz UUWBVVAZIJBCLE-NBQDTTAVSA-N 0 0 603.631 5.585 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408777346 1071844879 /nfs/dbraw/zinc/84/48/79/1071844879.db2.gz YXUJVUCUHZAVJN-HGGMLFSRSA-N 0 0 684.749 6.970 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408786955 1071846477 /nfs/dbraw/zinc/84/64/77/1071846477.db2.gz YNVIEVFJZWGATC-MDINZUHSSA-N 0 0 724.235 7.208 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2cccc3ccccc32)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408786114 1071853155 /nfs/dbraw/zinc/85/31/55/1071853155.db2.gz MKNGQCJETBBIBL-IVNSTHILSA-N 0 0 621.718 6.959 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042722 1071865547 /nfs/dbraw/zinc/86/55/47/1071865547.db2.gz XNUOSAHIHDNASD-GWRYVSOYSA-N 0 0 895.510 6.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042477 1071869512 /nfs/dbraw/zinc/86/95/12/1071869512.db2.gz LAHASSBSGZUJJZ-RIFKOAFWSA-N 0 0 673.744 5.090 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)S2)cc1 ZINC000408783015 1071873159 /nfs/dbraw/zinc/87/31/59/1071873159.db2.gz JFOJJMMBFGBFAW-RWTNITNYSA-N 0 0 515.513 6.568 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)o1 ZINC000408794686 1071884589 /nfs/dbraw/zinc/88/45/89/1071884589.db2.gz ATVOQZLQQDXTLQ-WALOUZIOSA-N 0 0 502.616 7.217 40 5 KKBBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1Nc1ccccc1 ZINC000408796119 1071880001 /nfs/dbraw/zinc/88/00/01/1071880001.db2.gz DRQMVMSUYBIPPR-QMJGKYDLSA-N 0 0 523.034 7.562 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)o1 ZINC000408794688 1071884482 /nfs/dbraw/zinc/88/44/82/1071884482.db2.gz ATVOQZLQQDXTLQ-YSCCPZIMSA-N 0 0 502.616 7.217 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041275 1071881064 /nfs/dbraw/zinc/88/10/64/1071881064.db2.gz UKPSFEYYIKYINB-OCDQFKQQSA-N 0 0 769.614 5.686 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041082 1071885694 /nfs/dbraw/zinc/88/56/94/1071885694.db2.gz ZBMGEQJEGPBOJV-PGUFECHJSA-N 0 0 892.519 5.603 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040033 1071894223 /nfs/dbraw/zinc/89/42/23/1071894223.db2.gz SFVKWPXIJNLPEJ-BXMULHQWSA-N 0 0 757.059 6.497 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 ZINC000408806868 1071902611 /nfs/dbraw/zinc/90/26/11/1071902611.db2.gz BKSCHNQRMMVBED-NDENLUEZSA-N 0 0 590.249 6.940 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2=N1 ZINC000409038532 1071907932 /nfs/dbraw/zinc/90/79/32/1071907932.db2.gz VYAVNLDMLXGIIK-GVMLUORFSA-N 0 0 668.953 5.701 40 5 KKBBRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408804681 1071909436 /nfs/dbraw/zinc/90/94/36/1071909436.db2.gz GMXTYUCJWAHBFD-UWAFIMPKSA-N 0 0 565.719 7.960 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409054509 1071917382 /nfs/dbraw/zinc/91/73/82/1071917382.db2.gz AWEONKRQUPVRIF-OYKKKHCWSA-N 0 0 783.382 6.093 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409056431 1071920861 /nfs/dbraw/zinc/92/08/61/1071920861.db2.gz RIARKUVWSFRGDP-XKZIYDEJSA-N 0 0 616.877 5.737 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409051038 1071953674 /nfs/dbraw/zinc/95/36/74/1071953674.db2.gz HCGOOJIDJYGNDX-UUYOSTAYSA-N 0 0 712.303 6.928 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409050263 1071959355 /nfs/dbraw/zinc/95/93/55/1071959355.db2.gz TUFBHYGZPGHSIY-UCQKPKSFSA-N 0 0 742.329 6.807 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409059093 1071982604 /nfs/dbraw/zinc/98/26/04/1071982604.db2.gz QYQUTOCKEXWWKZ-UUYOSTAYSA-N 0 0 602.452 5.637 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409064243 1072016608 /nfs/dbraw/zinc/01/66/08/1072016608.db2.gz CJEIFXRCMAMVKI-SRZZPIQSSA-N 0 0 572.799 6.086 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)N(CC(=O)OC)C2=S)cc1 ZINC000409062084 1072026498 /nfs/dbraw/zinc/02/64/98/1072026498.db2.gz NDDUHLQFTRDPFV-IWIPYMOSSA-N 0 0 610.486 5.646 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409059897 1072037893 /nfs/dbraw/zinc/03/78/93/1072037893.db2.gz PCFJGYLMDBYEPO-OYKKKHCWSA-N 0 0 687.512 5.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409076899 1072044835 /nfs/dbraw/zinc/04/48/35/1072044835.db2.gz CHBISZWGUWWHLF-MKWGYRPRSA-N 0 0 592.098 5.511 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409076977 1072046062 /nfs/dbraw/zinc/04/60/62/1072046062.db2.gz CUSWRZLVNSKYEP-AOFXREQWSA-N 0 0 632.698 5.370 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409071418 1072090010 /nfs/dbraw/zinc/09/00/10/1072090010.db2.gz RHHHUTBJBMOWKT-CIAFOILYSA-N 0 0 573.318 5.010 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409069222 1072105285 /nfs/dbraw/zinc/10/52/85/1072105285.db2.gz IDDYFCUWHWDZHX-SRZZPIQSSA-N 0 0 605.214 5.931 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409080516 1072121441 /nfs/dbraw/zinc/12/14/41/1072121441.db2.gz FCWCYZGBLJRDFV-KEQCBNTKSA-N 0 0 637.095 5.419 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)sc2=N1 ZINC000409080067 1072128280 /nfs/dbraw/zinc/12/82/80/1072128280.db2.gz KYLAHWNPKQXNFG-FPZRXPKDSA-N 0 0 613.736 5.268 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409079804 1072128781 /nfs/dbraw/zinc/12/87/81/1072128781.db2.gz MAPQBCNBVYJCCM-BKUYFWCQSA-N 0 0 607.470 5.520 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079823 1072129227 /nfs/dbraw/zinc/12/92/27/1072129227.db2.gz MJFIHXRSGCPLHT-QHCWNQLDSA-N 0 0 752.640 5.854 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409077819 1072151926 /nfs/dbraw/zinc/15/19/26/1072151926.db2.gz FYSHKBHWRWXMQO-IPAKXIGBSA-N 0 0 694.560 5.065 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409077307 1072155646 /nfs/dbraw/zinc/15/56/46/1072155646.db2.gz DNBHYLVTIUMNRA-NULZLWRNSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409077384 1072156742 /nfs/dbraw/zinc/15/67/42/1072156742.db2.gz FHJQIAHTXBVBPT-NJSWBSQOSA-N 0 0 775.681 7.602 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084588 1072189686 /nfs/dbraw/zinc/18/96/86/1072189686.db2.gz WVWGNCHMSLFTGR-INJWXVQMSA-N 0 0 682.549 5.445 40 5 KKBBRN Cc1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409309497 1072191934 /nfs/dbraw/zinc/19/19/34/1072191934.db2.gz IFMSGZDOORCCOI-UHFFFAOYSA-N 0 0 527.908 5.409 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccccc4F)c(I)c3)sc2=N1 ZINC000409083213 1072203356 /nfs/dbraw/zinc/20/33/56/1072203356.db2.gz KSLQUHLCRVRRDL-ZWTBYVTRSA-N 0 0 839.421 6.022 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081613 1072221676 /nfs/dbraw/zinc/22/16/76/1072221676.db2.gz QLDUGKSHBQIQEW-FWJLDYTOSA-N 0 0 737.412 6.443 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096706 1072233336 /nfs/dbraw/zinc/23/33/36/1072233336.db2.gz DWWXZRWWSPQXJL-GJKZIJEQSA-N 0 0 561.707 5.419 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095656 1072239662 /nfs/dbraw/zinc/23/96/62/1072239662.db2.gz IEYMZGGRGZYOAJ-MRWVFDTMSA-N 0 0 640.165 5.668 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409095539 1072239945 /nfs/dbraw/zinc/23/99/45/1072239945.db2.gz HZKWCAHZQPKXOY-OCEWKHMESA-N 0 0 696.605 5.199 40 5 KKBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409093703 1072250206 /nfs/dbraw/zinc/25/02/06/1072250206.db2.gz AOXICFFOJTVIMK-DTQASYIRSA-N 0 0 555.790 5.188 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409093205 1072257022 /nfs/dbraw/zinc/25/70/22/1072257022.db2.gz YBEGNIKXLSZXNU-PQRKSKNISA-N 0 0 592.633 5.051 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409324858 1072262497 /nfs/dbraw/zinc/26/24/97/1072262497.db2.gz VIMMIEKEJGKRIO-UHFFFAOYSA-N 0 0 522.410 5.348 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409092042 1072264851 /nfs/dbraw/zinc/26/48/51/1072264851.db2.gz XDLCYFUNDDYXAW-YDZHTSKRSA-N 0 0 609.433 5.175 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409091005 1072276973 /nfs/dbraw/zinc/27/69/73/1072276973.db2.gz SDWJFFLDGBEZLQ-VVGPUZASSA-N 0 0 709.806 5.586 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409090745 1072277018 /nfs/dbraw/zinc/27/70/18/1072277018.db2.gz PYRKTLJNEATVGQ-GSTVVXAASA-N 0 0 775.621 6.442 40 5 KKBBRN O=C(Nc1ccccc1Br)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409089825 1072287140 /nfs/dbraw/zinc/28/71/40/1072287140.db2.gz KJKLJSWWLMZWJL-UHFFFAOYSA-N 0 0 524.374 7.492 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409320734 1072298372 /nfs/dbraw/zinc/29/83/72/1072298372.db2.gz COICTOXXLJUKKZ-UHFFFAOYSA-N 0 0 542.828 5.693 40 5 KKBBRN O=C1N/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1C1CCCCC1 ZINC000409088269 1072299123 /nfs/dbraw/zinc/29/91/23/1072299123.db2.gz WMIKVDCPVGOYOO-NDENLUEZSA-N 0 0 673.245 5.608 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087494 1072309194 /nfs/dbraw/zinc/30/91/94/1072309194.db2.gz ZABSZWOEAYRIPX-INJWXVQMSA-N 0 0 698.548 5.145 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409100660 1072318194 /nfs/dbraw/zinc/31/81/94/1072318194.db2.gz RIQVQSWRGNJFQR-JLHDDXNDSA-N 0 0 647.153 5.253 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409101462 1072314352 /nfs/dbraw/zinc/31/43/52/1072314352.db2.gz XUGMFRUIOHNBIP-DTDQMKFYSA-N 0 0 636.730 5.742 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409101234 1072316366 /nfs/dbraw/zinc/31/63/66/1072316366.db2.gz SFRPFVJJIMUMGE-AYMIJMNYSA-N 0 0 697.820 5.521 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409099509 1072324818 /nfs/dbraw/zinc/32/48/18/1072324818.db2.gz TWZWMIIZMQQSID-MFKUBSTISA-N 0 0 703.511 6.251 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098952 1072328615 /nfs/dbraw/zinc/32/86/15/1072328615.db2.gz RNYLFWYHVOEJDY-ZRYJBNJPSA-N 0 0 627.767 5.020 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409098468 1072330414 /nfs/dbraw/zinc/33/04/14/1072330414.db2.gz OXAIUYMGTTTZFT-ZCWBPALNSA-N 0 0 671.559 5.596 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098554 1072330733 /nfs/dbraw/zinc/33/07/33/1072330733.db2.gz QOYCMQZPLUUTOK-LMSRTUJASA-N 0 0 696.605 5.199 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409098371 1072331756 /nfs/dbraw/zinc/33/17/56/1072331756.db2.gz LCSSQVYHZYCNEH-IDUWFGFVSA-N 0 0 598.169 7.210 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409098248 1072332656 /nfs/dbraw/zinc/33/26/56/1072332656.db2.gz OXUUVHOESLUFGZ-CBPRFPNYSA-N 0 0 679.780 5.572 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000409336258 1072333236 /nfs/dbraw/zinc/33/32/36/1072333236.db2.gz NFHPFLURPJIEKX-UHFFFAOYSA-N 0 0 769.931 8.132 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409098271 1072333252 /nfs/dbraw/zinc/33/32/52/1072333252.db2.gz PDLUPIQCGGYXHM-GRSHGNNSSA-N 0 0 519.273 6.448 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSCC(=O)Nc3cccc4ccccc43)cc2s1 ZINC000409336147 1072334461 /nfs/dbraw/zinc/33/44/61/1072334461.db2.gz MPRBAVJQAQFVJG-UHFFFAOYSA-N 0 0 604.735 6.969 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409107136 1072339185 /nfs/dbraw/zinc/33/91/85/1072339185.db2.gz VGDGAFCEEKNSDZ-QPJBPQEWSA-N 0 0 591.089 5.234 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 ZINC000409106524 1072342519 /nfs/dbraw/zinc/34/25/19/1072342519.db2.gz NWSOQBCJNYJZHU-CVKSISIWSA-N 0 0 556.600 5.672 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Br ZINC000409335063 1072341755 /nfs/dbraw/zinc/34/17/55/1072341755.db2.gz YSMMQMUIMASSDC-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409105928 1072345627 /nfs/dbraw/zinc/34/56/27/1072345627.db2.gz KBLPRTQJOGKQDI-HDFSHUSISA-N 0 0 649.194 5.825 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409105943 1072346059 /nfs/dbraw/zinc/34/60/59/1072346059.db2.gz KDTGFMKXCIKEOT-ZVHZXABRSA-N 0 0 689.484 5.861 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409105931 1072346147 /nfs/dbraw/zinc/34/61/47/1072346147.db2.gz PKRMHGXNGHYHRT-AFOHCANTSA-N 0 0 693.807 5.922 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409106037 1072346630 /nfs/dbraw/zinc/34/66/30/1072346630.db2.gz QBMPKKNZNXFIFF-RGDUZTMSSA-N 0 0 659.790 5.565 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105882 1072347566 /nfs/dbraw/zinc/34/75/66/1072347566.db2.gz JOGIRZYDTSBBBH-BMZLMQSUSA-N 0 0 696.811 5.129 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000409105363 1072349987 /nfs/dbraw/zinc/34/99/87/1072349987.db2.gz MZYYMHUTFSVOIY-WSDLNYQXSA-N 0 0 738.276 5.223 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105076 1072351659 /nfs/dbraw/zinc/35/16/59/1072351659.db2.gz GCKCJGNBZSBHJR-DTDQMKFYSA-N 0 0 652.729 5.442 40 5 KKBBRN CC(C)N(C(=S)SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1)C(C)C ZINC000409333316 1072355131 /nfs/dbraw/zinc/35/51/31/1072355131.db2.gz GKQHJCOUPYJISL-UHFFFAOYSA-N 0 0 577.779 6.011 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409104015 1072356441 /nfs/dbraw/zinc/35/64/41/1072356441.db2.gz IDBSCKNOODLDFA-KMBIYUNPSA-N 0 0 611.507 5.579 40 5 KKBBRN O=C1Nc2ccccc2S/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409103849 1072358836 /nfs/dbraw/zinc/35/88/36/1072358836.db2.gz ZGXUVGGIHMGDRG-BRPDVVIDSA-N 0 0 515.594 7.805 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409332472 1072361636 /nfs/dbraw/zinc/36/16/36/1072361636.db2.gz FNDXVJPFNRILBX-UHFFFAOYSA-N 0 0 712.816 7.076 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000409332171 1072364169 /nfs/dbraw/zinc/36/41/69/1072364169.db2.gz HAZCVPFKZUGZLC-IIWBRFRESA-N 0 0 546.535 5.278 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000409331971 1072365130 /nfs/dbraw/zinc/36/51/30/1072365130.db2.gz IVYTUIHVLUJTGT-NDEPHWFRSA-N 0 0 561.660 6.690 40 5 KKBBRN O=C(O[C@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000409331147 1072371925 /nfs/dbraw/zinc/37/19/25/1072371925.db2.gz CPAHQSYSOUYHFA-UIOOFZCWSA-N 0 0 592.524 5.752 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NCc1ccccc1 ZINC000409116910 1072371986 /nfs/dbraw/zinc/37/19/86/1072371986.db2.gz MSARYBGVWBNKCJ-PSXMRANNSA-N 0 0 612.686 6.651 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409114052 1072369572 /nfs/dbraw/zinc/36/95/72/1072369572.db2.gz IHZFWXKWIJGYKR-OXWVMCNISA-N 0 0 619.168 5.816 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 ZINC000409115265 1072377224 /nfs/dbraw/zinc/37/72/24/1072377224.db2.gz LIUAPIYGARZJEU-NHDPSOOVSA-N 0 0 586.280 7.242 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)O1 ZINC000409114614 1072380982 /nfs/dbraw/zinc/38/09/82/1072380982.db2.gz IOLPEOIKADHPOT-QHCPKHFHSA-N 0 0 752.299 6.449 40 5 KKBBRN CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409110830 1072394884 /nfs/dbraw/zinc/39/48/84/1072394884.db2.gz AJSDBDUOSLGNIR-BHVANESWSA-N 0 0 668.577 9.241 40 5 KKBBRN CCc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409110670 1072395369 /nfs/dbraw/zinc/39/53/69/1072395369.db2.gz XQAFLUGTBJWTBR-UHFFFAOYSA-N 0 0 518.351 5.962 40 5 KKBBRN Cc1ccc(COc2ccc([C@H]3N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc4C(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409109354 1072400341 /nfs/dbraw/zinc/40/03/41/1072400341.db2.gz CBKUTBOLHRFPHI-DHUJRADRSA-N 0 0 569.661 7.844 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000409337196 1072402897 /nfs/dbraw/zinc/40/28/97/1072402897.db2.gz YNKFAKUPNVCMIB-LQBCTSRJSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409108688 1072404172 /nfs/dbraw/zinc/40/41/72/1072404172.db2.gz YOEPHNUJHFBPBH-CIAFOILYSA-N 0 0 527.942 5.582 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409337032 1072404124 /nfs/dbraw/zinc/40/41/24/1072404124.db2.gz SMJRMKIYFCYCGL-ARLGEPFESA-N 0 0 664.743 5.078 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409108791 1072405254 /nfs/dbraw/zinc/40/52/54/1072405254.db2.gz ZCIDNAJUUIADCE-GSTVVXAASA-N 0 0 654.192 5.977 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccccc5s4)cc3s2)c([N+](=O)[O-])c1 ZINC000409336900 1072405760 /nfs/dbraw/zinc/40/57/60/1072405760.db2.gz QZESPRSUWKNETL-UHFFFAOYSA-N 0 0 597.725 6.284 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409108437 1072406965 /nfs/dbraw/zinc/40/69/65/1072406965.db2.gz VVFOPLPCNLAWDL-LMSRTUJASA-N 0 0 652.154 5.090 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107618 1072413665 /nfs/dbraw/zinc/41/36/65/1072413665.db2.gz WZBQMKYDIMXQGF-BSTSVQRWSA-N 0 0 692.794 5.761 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346241 1072416420 /nfs/dbraw/zinc/41/64/20/1072416420.db2.gz LNRQZTDKNIMJOW-WLNFRNCRSA-N 0 0 808.478 6.904 40 5 KKBBRN Cc1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409120284 1072431164 /nfs/dbraw/zinc/43/11/64/1072431164.db2.gz UYFXYLWZKZNQIP-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409119348 1072435623 /nfs/dbraw/zinc/43/56/23/1072435623.db2.gz SDTGLHNTMDCOEX-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409343987 1072436560 /nfs/dbraw/zinc/43/65/60/1072436560.db2.gz JMMSQXQKTCTBPK-IBGZPJMESA-N 0 0 571.874 5.541 40 5 KKBBRN COc1cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119160 1072437867 /nfs/dbraw/zinc/43/78/67/1072437867.db2.gz RAMUPAZHNHWAHI-DEOSSOPVSA-N 0 0 564.978 5.901 40 5 KKBBRN COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409126423 1072452684 /nfs/dbraw/zinc/45/26/84/1072452684.db2.gz NZXKYZJWGVEUEY-LICLKQGHSA-N 0 0 666.231 5.066 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c2ccccc21 ZINC000409125806 1072457160 /nfs/dbraw/zinc/45/71/60/1072457160.db2.gz BBAUDRMSKPEHDN-BKUYFWCQSA-N 0 0 523.383 6.242 40 5 KKBBRN CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(CC)cc3)c(=O)c2c1C ZINC000409125836 1072457238 /nfs/dbraw/zinc/45/72/38/1072457238.db2.gz BCRNPWLOBJCUCG-UHFFFAOYSA-N 0 0 533.597 7.349 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1Br ZINC000409339669 1072472368 /nfs/dbraw/zinc/47/23/68/1072472368.db2.gz KHNVAIMTXPSAJY-LPYMAVHISA-N 0 0 568.405 5.611 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409127350 1072472526 /nfs/dbraw/zinc/47/25/26/1072472526.db2.gz JETMHYBALUZYDY-JOCHJYFZSA-N 0 0 636.516 5.309 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339711 1072473077 /nfs/dbraw/zinc/47/30/77/1072473077.db2.gz KZUGYUJTJKIWAU-CVKSISIWSA-N 0 0 561.616 5.981 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 ZINC000409136313 1072478602 /nfs/dbraw/zinc/47/86/02/1072478602.db2.gz TWEHODFWILJDFB-NDENLUEZSA-N 0 0 572.253 6.996 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409135772 1072483229 /nfs/dbraw/zinc/48/32/29/1072483229.db2.gz QPZWKPPRFZLAIV-UHFFFAOYSA-N 0 0 517.991 5.016 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135417 1072484175 /nfs/dbraw/zinc/48/41/75/1072484175.db2.gz QMINELJIXMUHQL-QFIPXVFZSA-N 0 0 579.708 5.496 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134582 1072491080 /nfs/dbraw/zinc/49/10/80/1072491080.db2.gz WHXPYRSFKQLPTO-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000409132989 1072501596 /nfs/dbraw/zinc/50/15/96/1072501596.db2.gz PVAAHFQRYSPYDC-UHFFFAOYSA-N 0 0 543.907 5.110 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000409131661 1072507968 /nfs/dbraw/zinc/50/79/68/1072507968.db2.gz KBWBVOJYHVQQPB-DHUJRADRSA-N 0 0 633.104 7.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409131658 1072508209 /nfs/dbraw/zinc/50/82/09/1072508209.db2.gz YOWBENBWVNSWTB-RGVLZGJSSA-N 0 0 537.388 5.018 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355423 1072510189 /nfs/dbraw/zinc/51/01/89/1072510189.db2.gz CIOXVDUTXNTXTO-CCVBWGSMSA-N 0 0 855.876 6.457 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1Cl ZINC000409128175 1072527145 /nfs/dbraw/zinc/52/71/45/1072527145.db2.gz RSYGUJODTBOVCL-DHUJRADRSA-N 0 0 633.104 7.627 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409351514 1072533731 /nfs/dbraw/zinc/53/37/31/1072533731.db2.gz URXDCKRCXNFAIG-CVKSISIWSA-N 0 0 561.616 5.981 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143224 1072542699 /nfs/dbraw/zinc/54/26/99/1072542699.db2.gz WFONYXQRQOWMHL-ITNPZBTBSA-N 0 0 592.677 5.018 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409142923 1072544395 /nfs/dbraw/zinc/54/43/95/1072544395.db2.gz FQJPAGBLDLHXSP-YVBHXKDBSA-N 0 0 675.789 5.062 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 ZINC000409142446 1072547308 /nfs/dbraw/zinc/54/73/08/1072547308.db2.gz LLDCADKCJOCXPQ-LPYMAVHISA-N 0 0 531.428 6.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142364 1072548604 /nfs/dbraw/zinc/54/86/04/1072548604.db2.gz CLRFNXZNKIJUPO-PIXWUVMMSA-N 0 0 648.535 5.356 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142010 1072550049 /nfs/dbraw/zinc/55/00/49/1072550049.db2.gz ADXTYMIZCMSOHT-WQNUKSJVSA-N 0 0 682.980 6.010 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141944 1072550904 /nfs/dbraw/zinc/55/09/04/1072550904.db2.gz CLRFNXZNKIJUPO-JBDHCHCMSA-N 0 0 648.535 5.356 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409140866 1072556928 /nfs/dbraw/zinc/55/69/28/1072556928.db2.gz GKKRGDDUEMDKMB-UHFFFAOYSA-N 0 0 500.993 5.381 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409139519 1072564348 /nfs/dbraw/zinc/56/43/48/1072564348.db2.gz ARLUYYXYAORMOH-CIAFOILYSA-N 0 0 610.324 7.315 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2Cl)n1C ZINC000409357698 1072567454 /nfs/dbraw/zinc/56/74/54/1072567454.db2.gz CXKPXRIIJOGRFZ-UHFFFAOYSA-N 0 0 512.444 5.503 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409366708 1072573499 /nfs/dbraw/zinc/57/34/99/1072573499.db2.gz VGWPUNNSPNNRNT-AWQNYARGSA-N 0 0 890.321 7.110 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409365816 1072576785 /nfs/dbraw/zinc/57/67/85/1072576785.db2.gz YPGSSGWLVQPPOD-NRFANRHFSA-N 0 0 531.038 5.026 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc([C@H]3N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc4C(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409146954 1072578029 /nfs/dbraw/zinc/57/80/29/1072578029.db2.gz LWNKXTVYKMFQRW-BHVANESWSA-N 0 0 612.686 7.282 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl ZINC000409157254 1072591646 /nfs/dbraw/zinc/59/16/46/1072591646.db2.gz USVYJEBMKXJZBB-AFUMVMLFSA-N 0 0 610.044 6.069 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409155444 1072599364 /nfs/dbraw/zinc/59/93/64/1072599364.db2.gz RDFUYJJKUFMNRV-ZMFRSBBQSA-N 0 0 683.095 5.516 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)ccc1Cl ZINC000409155519 1072599851 /nfs/dbraw/zinc/59/98/51/1072599851.db2.gz LJGICSNJZZDBDQ-WPWMEQJKSA-N 0 0 573.070 7.278 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409155547 1072599937 /nfs/dbraw/zinc/59/99/37/1072599937.db2.gz JCJSCIAAVVRRKC-DHRITJCHSA-N 0 0 655.041 6.581 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409154957 1072603441 /nfs/dbraw/zinc/60/34/41/1072603441.db2.gz KXSBTIWDVIOJTD-LSHDLFTRSA-N 0 0 668.469 7.565 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360786 1072605563 /nfs/dbraw/zinc/60/55/63/1072605563.db2.gz PYHPKPYNQRYKQU-CCVBWGSMSA-N 0 0 866.428 5.711 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C ZINC000409154474 1072606163 /nfs/dbraw/zinc/60/61/63/1072606163.db2.gz OQGXVZRPMZMYTC-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359090 1072614723 /nfs/dbraw/zinc/61/47/23/1072614723.db2.gz MLAJIWLEGBRMSA-HAWPWTPLSA-N 0 0 663.752 6.146 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409152817 1072615903 /nfs/dbraw/zinc/61/59/03/1072615903.db2.gz GJEQETKOPGUPJQ-SRZZPIQSSA-N 0 0 629.401 5.741 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409152764 1072617564 /nfs/dbraw/zinc/61/75/64/1072617564.db2.gz JYACKWFJMGDAJW-ZVHZXABRSA-N 0 0 673.485 6.161 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl ZINC000409151290 1072625046 /nfs/dbraw/zinc/62/50/46/1072625046.db2.gz AXOSTJBKXXTVQT-KEBDBYFISA-N 0 0 620.821 5.732 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409149636 1072634560 /nfs/dbraw/zinc/63/45/60/1072634560.db2.gz LSSCQZCJGMQDBV-SUAMDDGLSA-N 0 0 647.804 5.375 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409149340 1072636599 /nfs/dbraw/zinc/63/65/99/1072636599.db2.gz CAMJDWVTZYSHER-ZCWBPALNSA-N 0 0 740.658 5.434 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409374449 1072636921 /nfs/dbraw/zinc/63/69/21/1072636921.db2.gz PUVVRDAONMZPQX-FSJBWODESA-N 0 0 592.586 5.904 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409373379 1072643024 /nfs/dbraw/zinc/64/30/24/1072643024.db2.gz IKHZJIUOSQBIMX-DHRITJCHSA-N 0 0 606.613 6.294 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409147443 1072649533 /nfs/dbraw/zinc/64/95/33/1072649533.db2.gz XWBYSKRAXAQQHB-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c(C)c1 ZINC000409371448 1072649642 /nfs/dbraw/zinc/64/96/42/1072649642.db2.gz CMJGCCXTHUPPML-ZVHZXABRSA-N 0 0 531.590 5.774 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409166019 1072651620 /nfs/dbraw/zinc/65/16/20/1072651620.db2.gz CBOYKXIXLZQKND-FOKLQQMPSA-N 0 0 677.327 6.382 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409165679 1072653665 /nfs/dbraw/zinc/65/36/65/1072653665.db2.gz APWRMXGLEPVXPL-NDENLUEZSA-N 0 0 542.367 5.790 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000409370273 1072655362 /nfs/dbraw/zinc/65/53/62/1072655362.db2.gz NZPLFELGPICWPU-OAQYLSRUSA-N 0 0 560.426 5.713 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409165051 1072655897 /nfs/dbraw/zinc/65/58/97/1072655897.db2.gz RSCYOCUANBOKET-BRJLIKDPSA-N 0 0 626.485 6.237 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409164412 1072660021 /nfs/dbraw/zinc/66/00/21/1072660021.db2.gz ICRPFWWARLTQDB-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409163350 1072664926 /nfs/dbraw/zinc/66/49/26/1072664926.db2.gz QFOVVGIENNCAIV-OAQYLSRUSA-N 0 0 622.489 5.299 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409163240 1072665918 /nfs/dbraw/zinc/66/59/18/1072665918.db2.gz OAOILIZZBNXCTO-FMCGGJTJSA-N 0 0 619.471 5.679 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409162627 1072668929 /nfs/dbraw/zinc/66/89/29/1072668929.db2.gz GMMALCSVODURAA-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409162611 1072668949 /nfs/dbraw/zinc/66/89/49/1072668949.db2.gz XPWSCALNHZLOMR-CCVBWGSMSA-N 0 0 772.428 6.027 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)N1CCc2ccccc2C1 ZINC000409379049 1072672686 /nfs/dbraw/zinc/67/26/86/1072672686.db2.gz USSLMOPVDPCVRA-DICXZTSXSA-N 0 0 552.612 5.219 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000409162053 1072673133 /nfs/dbraw/zinc/67/31/33/1072673133.db2.gz CHQXBQAVDVJUBT-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409161821 1072675673 /nfs/dbraw/zinc/67/56/73/1072675673.db2.gz BADOWPMABZGVHS-DHRITJCHSA-N 0 0 626.043 5.688 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409377837 1072678925 /nfs/dbraw/zinc/67/89/25/1072678925.db2.gz LHVBZCRZMOEZPI-QFEZKATASA-N 0 0 608.470 5.558 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409160968 1072679364 /nfs/dbraw/zinc/67/93/64/1072679364.db2.gz RUWRKNXDWNMIGD-NDENLUEZSA-N 0 0 540.941 5.119 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409160629 1072682396 /nfs/dbraw/zinc/68/23/96/1072682396.db2.gz VBOZRXKLCJTJJF-FSJBWODESA-N 0 0 621.977 7.133 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409160096 1072684483 /nfs/dbraw/zinc/68/44/83/1072684483.db2.gz XKJMMWFAADKODM-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409160080 1072684500 /nfs/dbraw/zinc/68/45/00/1072684500.db2.gz SKOZFKZSSDQPSL-QFEZKATASA-N 0 0 610.044 6.069 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409160169 1072685050 /nfs/dbraw/zinc/68/50/50/1072685050.db2.gz WCIUJFLUHVDYAO-VULFUBBASA-N 0 0 779.993 7.072 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409159414 1072688592 /nfs/dbraw/zinc/68/85/92/1072688592.db2.gz ZYAFUIXJRJRRIW-SRZZPIQSSA-N 0 0 555.952 5.278 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1 ZINC000409158498 1072693290 /nfs/dbraw/zinc/69/32/90/1072693290.db2.gz OTYZUDBBFOEVPF-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409158356 1072694160 /nfs/dbraw/zinc/69/41/60/1072694160.db2.gz KYQHUIDSNCYVJT-MZJWZYIUSA-N 0 0 722.094 8.090 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)o1 ZINC000409385200 1072695249 /nfs/dbraw/zinc/69/52/49/1072695249.db2.gz IJNUOOKERUQPFL-KEBDBYFISA-N 0 0 563.371 6.097 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000409157882 1072697271 /nfs/dbraw/zinc/69/72/71/1072697271.db2.gz WPIKYEKJWASUKY-HXUWFJFHSA-N 0 0 606.517 6.001 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000409157703 1072698095 /nfs/dbraw/zinc/69/80/95/1072698095.db2.gz WFQLIRGLJVWUQC-DFXMODJXSA-N 0 0 635.698 5.729 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409157711 1072698196 /nfs/dbraw/zinc/69/81/96/1072698196.db2.gz WIQMTMBZXJIMRB-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409176362 1072707232 /nfs/dbraw/zinc/70/72/32/1072707232.db2.gz LKWDPSULGXXSDF-YTTGMZPUSA-N 0 0 677.463 7.731 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000409176310 1072708049 /nfs/dbraw/zinc/70/80/49/1072708049.db2.gz KDKFJAPGOJDPJE-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409176964 1072709501 /nfs/dbraw/zinc/70/95/01/1072709501.db2.gz CNZYCWZBBNZESP-DEOSSOPVSA-N 0 0 500.429 5.500 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409176014 1072712528 /nfs/dbraw/zinc/71/25/28/1072712528.db2.gz WXQIFBZQRRLTOT-MZJWZYIUSA-N 0 0 699.094 6.979 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176069 1072712892 /nfs/dbraw/zinc/71/28/92/1072712892.db2.gz XXMZVDQSDJHLLQ-YDZHTSKRSA-N 0 0 555.406 6.181 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176078 1072712922 /nfs/dbraw/zinc/71/29/22/1072712922.db2.gz YEUSLTFOTXZLPZ-YDZHTSKRSA-N 0 0 738.354 6.615 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409175917 1072713846 /nfs/dbraw/zinc/71/38/46/1072713846.db2.gz DTCJMPHRUFDNAX-GDLZYMKVSA-N 0 0 524.529 5.702 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409175776 1072714849 /nfs/dbraw/zinc/71/48/49/1072714849.db2.gz CTEATHDHFBHOGZ-KSEXSDGBSA-N 0 0 616.877 6.573 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCc2ccccc2C1 ZINC000409380758 1072716414 /nfs/dbraw/zinc/71/64/14/1072716414.db2.gz AEXZFJFZTKNUSU-QFEZKATASA-N 0 0 655.470 5.400 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409380418 1072717850 /nfs/dbraw/zinc/71/78/50/1072717850.db2.gz MSLWIUIYPQECNR-HMAPJEAMSA-N 0 0 651.479 5.226 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409174325 1072722576 /nfs/dbraw/zinc/72/25/76/1072722576.db2.gz RZZCSLWGUANBAN-SANMLTNESA-N 0 0 543.444 5.985 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409174254 1072722633 /nfs/dbraw/zinc/72/26/33/1072722633.db2.gz UKLAYWRHFVPVDE-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 ZINC000409174107 1072723489 /nfs/dbraw/zinc/72/34/89/1072723489.db2.gz RYSVBKYVGWDNHU-SRZZPIQSSA-N 0 0 538.469 5.109 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 ZINC000409389929 1072731139 /nfs/dbraw/zinc/73/11/39/1072731139.db2.gz RAXCGCSIEBFAFI-SRZZPIQSSA-N 0 0 573.377 5.552 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4ccc(Cl)cc4Cl)C(C)C)n3)n2)cc1[N+](=O)[O-] ZINC000409172657 1072731471 /nfs/dbraw/zinc/73/14/71/1072731471.db2.gz FEYARTAECAGOCE-NRFANRHFSA-N 0 0 620.544 6.310 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)N1CCc2ccccc2C1 ZINC000409387712 1072741771 /nfs/dbraw/zinc/74/17/71/1072741771.db2.gz PNLZGZIPLHGWQX-RHANQZHGSA-N 0 0 579.634 5.948 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409170677 1072744808 /nfs/dbraw/zinc/74/48/08/1072744808.db2.gz WGEYWRIEBXJZSY-LGJNPRDNSA-N 0 0 685.067 6.589 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409170710 1072744848 /nfs/dbraw/zinc/74/48/48/1072744848.db2.gz XBPBSQGGLANYPC-MSXFZWOLSA-N 0 0 608.654 5.018 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398680 1072751984 /nfs/dbraw/zinc/75/19/84/1072751984.db2.gz FTUPIRUMKRKOOR-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409168622 1072753986 /nfs/dbraw/zinc/75/39/86/1072753986.db2.gz NDFJTFJJYMQEAV-YDZHTSKRSA-N 0 0 600.005 5.759 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409167716 1072758990 /nfs/dbraw/zinc/75/89/90/1072758990.db2.gz JLEQGVCQUVFSPJ-NHDPSOOVSA-N 0 0 513.369 6.471 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)C2=O)o1 ZINC000409403004 1072773976 /nfs/dbraw/zinc/77/39/76/1072773976.db2.gz YCUNCYMVAFFSRD-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000409184715 1072775777 /nfs/dbraw/zinc/77/57/77/1072775777.db2.gz ZNVIYLMILPBQFQ-UHFFFAOYSA-N 0 0 621.001 7.990 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184515 1072776357 /nfs/dbraw/zinc/77/63/57/1072776357.db2.gz XUFONZQUDZTCBR-JAYSWQADSA-N 0 0 578.046 5.237 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c1)C2=O ZINC000409184526 1072776832 /nfs/dbraw/zinc/77/68/32/1072776832.db2.gz YUDQSEZRWMMHQL-UHFFFAOYSA-N 0 0 559.534 6.401 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000409184337 1072777177 /nfs/dbraw/zinc/77/71/77/1072777177.db2.gz XOSZMXOJAMXEAT-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409184091 1072778999 /nfs/dbraw/zinc/77/89/99/1072778999.db2.gz WTBZFQAOUAWGAT-YDZHTSKRSA-N 0 0 505.552 5.709 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409184164 1072779500 /nfs/dbraw/zinc/77/95/00/1072779500.db2.gz XPRICNDQUYESOD-HHHXNRCGSA-N 0 0 546.373 6.717 40 5 KKBBRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409183226 1072785371 /nfs/dbraw/zinc/78/53/71/1072785371.db2.gz SUVSZLWONRBQSX-NDEPHWFRSA-N 0 0 563.591 6.752 40 5 KKBBRN COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000409183012 1072785857 /nfs/dbraw/zinc/78/58/57/1072785857.db2.gz RHWNQRBAAZMDRK-HHHXNRCGSA-N 0 0 531.542 5.217 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409182948 1072787542 /nfs/dbraw/zinc/78/75/42/1072787542.db2.gz PGVFPBFNXZZGSI-LSHDLFTRSA-N 0 0 591.951 7.043 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000409182747 1072788487 /nfs/dbraw/zinc/78/84/87/1072788487.db2.gz NNCRDBUFEMPYCP-GDLZYMKVSA-N 0 0 503.514 6.229 40 5 KKBBRN Nc1c(Br)cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Br ZINC000409182567 1072788969 /nfs/dbraw/zinc/78/89/69/1072788969.db2.gz MSKGTORQOHXLGW-UHFFFAOYSA-N 0 0 522.149 5.851 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409182688 1072789754 /nfs/dbraw/zinc/78/97/54/1072789754.db2.gz NIUGBMWOQINYSB-UHFFFAOYSA-N 0 0 534.502 5.485 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409181691 1072794731 /nfs/dbraw/zinc/79/47/31/1072794731.db2.gz GDAMNMFTPPVMBQ-MHZLTWQESA-N 0 0 520.497 5.485 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181555 1072796563 /nfs/dbraw/zinc/79/65/63/1072796563.db2.gz DCYVENVCPRIIFN-UHFFFAOYSA-N 0 0 534.502 5.485 40 5 KKBBRN O=C(COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181422 1072796956 /nfs/dbraw/zinc/79/69/56/1072796956.db2.gz COSCFTQEQCUVSQ-UHFFFAOYSA-N 0 0 625.804 7.188 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409181489 1072797528 /nfs/dbraw/zinc/79/75/28/1072797528.db2.gz BRMRKLSIBMOGAB-UHFFFAOYSA-N 0 0 531.433 6.353 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409180958 1072800276 /nfs/dbraw/zinc/80/02/76/1072800276.db2.gz ZQMHJQKICAGIIR-AUEPDCJTSA-N 0 0 621.977 7.051 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181013 1072800592 /nfs/dbraw/zinc/80/05/92/1072800592.db2.gz XYZVYKBGGSNEQZ-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409180845 1072801558 /nfs/dbraw/zinc/80/15/58/1072801558.db2.gz WLBHGKPBUUNRJA-VWLOTQADSA-N 0 0 538.408 7.834 40 5 KKBBRN O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Br)c2cccnc12 ZINC000409180875 1072801783 /nfs/dbraw/zinc/80/17/83/1072801783.db2.gz WQJFAUVBEYNJHM-UHFFFAOYSA-N 0 0 578.375 5.843 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409180545 1072802823 /nfs/dbraw/zinc/80/28/23/1072802823.db2.gz WVCWJWMFGOWDQZ-GDLZYMKVSA-N 0 0 536.584 6.926 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180588 1072803234 /nfs/dbraw/zinc/80/32/34/1072803234.db2.gz XOJCNKSCTYSHQO-NRFANRHFSA-N 0 0 637.114 5.890 40 5 KKBBRN O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409179670 1072808294 /nfs/dbraw/zinc/80/82/94/1072808294.db2.gz NCHGNNHESBOXFB-UHFFFAOYSA-N 0 0 550.873 6.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179418 1072810119 /nfs/dbraw/zinc/81/01/19/1072810119.db2.gz NCITZCXIRJLSFL-WLNFRNCRSA-N 0 0 761.478 7.062 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409179401 1072810142 /nfs/dbraw/zinc/81/01/42/1072810142.db2.gz MQNBJTVDBWQATN-UHFFFAOYSA-N 0 0 534.502 5.485 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409179105 1072811890 /nfs/dbraw/zinc/81/18/90/1072811890.db2.gz NDHXZWIBYFHCTB-AREMUKBSSA-N 0 0 503.963 7.180 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409179109 1072812306 /nfs/dbraw/zinc/81/23/06/1072812306.db2.gz NDHXZWIBYFHCTB-SANMLTNESA-N 0 0 503.963 7.180 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179170 1072812327 /nfs/dbraw/zinc/81/23/27/1072812327.db2.gz PRFIVBLDUNSUAQ-HRIDGTDGSA-N 0 0 563.635 5.321 40 5 KKBBRN Cc1ccc(C(=O)COC(=O)c2ccc(C)c(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1[N+](=O)[O-] ZINC000409179130 1072812335 /nfs/dbraw/zinc/81/23/35/1072812335.db2.gz PYQNGPFCZCRBDF-UHFFFAOYSA-N 0 0 527.316 5.359 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000409179106 1072812357 /nfs/dbraw/zinc/81/23/57/1072812357.db2.gz KEBRXAUBHBKWFQ-UHFFFAOYSA-N 0 0 563.349 6.852 40 5 KKBBRN O=C(COC(=O)c1cccc(I)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178807 1072814294 /nfs/dbraw/zinc/81/42/94/1072814294.db2.gz IOCRXSDTWUAAGJ-UHFFFAOYSA-N 0 0 503.248 5.031 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177529 1072822518 /nfs/dbraw/zinc/82/25/18/1072822518.db2.gz BPFSGPXNUCKFNE-ZCWBPALNSA-N 0 0 638.529 5.901 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195797 1072835343 /nfs/dbraw/zinc/83/53/43/1072835343.db2.gz LAGSWYIUDBXCTP-XKZIYDEJSA-N 0 0 534.550 5.164 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nnc(-c5cccc(Cl)c5)n4CC)c(=O)n32)cc1 ZINC000409194694 1072840588 /nfs/dbraw/zinc/84/05/88/1072840588.db2.gz QPNODNVAKUROGQ-WOSHRIRTSA-N 0 0 745.283 6.577 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409194115 1072845041 /nfs/dbraw/zinc/84/50/41/1072845041.db2.gz MYNCPVWIXSEEPY-AWQNYARGSA-N 0 0 737.603 5.678 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409194122 1072845614 /nfs/dbraw/zinc/84/56/14/1072845614.db2.gz OCUPNUQXTMASHB-TZUCAZQYSA-N 0 0 810.152 6.949 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409193065 1072853111 /nfs/dbraw/zinc/85/31/11/1072853111.db2.gz HSMJNXSBGQTXMB-GKTKDVHMSA-N 0 0 737.647 6.347 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409192567 1072855112 /nfs/dbraw/zinc/85/51/12/1072855112.db2.gz CJQBOGJGBUHOSB-OGMUYLFESA-N 0 0 761.282 6.197 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192631 1072855564 /nfs/dbraw/zinc/85/55/64/1072855564.db2.gz DAYZUWQKBQXREH-RAWKODRKSA-N 0 0 740.292 6.927 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192616 1072855675 /nfs/dbraw/zinc/85/56/75/1072855675.db2.gz CWGJPLKAWZTWMA-ISZRBDKASA-N 0 0 775.309 6.587 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409192303 1072856901 /nfs/dbraw/zinc/85/69/01/1072856901.db2.gz CFNHGHTYGRZZNF-XIHDXPBISA-N 0 0 767.673 6.357 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409192083 1072857158 /nfs/dbraw/zinc/85/71/58/1072857158.db2.gz UNZBUGKKQNYLOK-CIAFOILYSA-N 0 0 622.824 6.681 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409191763 1072859061 /nfs/dbraw/zinc/85/90/61/1072859061.db2.gz MPUIAUHILVAQEX-LPYMAVHISA-N 0 0 545.400 7.120 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409191693 1072860956 /nfs/dbraw/zinc/86/09/56/1072860956.db2.gz KWBYMWITTOMRHM-NNLIIISGSA-N 0 0 598.203 6.083 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191215 1072863276 /nfs/dbraw/zinc/86/32/76/1072863276.db2.gz DMOXXFYKNXKPDZ-FCVOFCDTSA-N 0 0 830.570 7.501 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409191137 1072865141 /nfs/dbraw/zinc/86/51/41/1072865141.db2.gz SYPSAFROQXMKSH-NNAGEYCMSA-N 0 0 717.229 5.798 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409190947 1072866466 /nfs/dbraw/zinc/86/64/66/1072866466.db2.gz CHHDSGRIAMWDMM-ZUXDRYNTSA-N 0 0 504.882 5.220 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190968 1072866619 /nfs/dbraw/zinc/86/66/19/1072866619.db2.gz CYKCLAPAHUJJGN-RGVLZGJSSA-N 0 0 718.694 7.277 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409190836 1072867540 /nfs/dbraw/zinc/86/75/40/1072867540.db2.gz REIAGHYCIJUKAF-PYCBVSLESA-N 0 0 747.255 5.807 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409190647 1072868300 /nfs/dbraw/zinc/86/83/00/1072868300.db2.gz UKLSISCPRATZOO-UNDLXJOSSA-N 0 0 747.324 6.900 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409190340 1072869859 /nfs/dbraw/zinc/86/98/59/1072869859.db2.gz XFHBDTKVFDBDLK-YUEMOGKHSA-N 0 0 795.343 7.732 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409190339 1072869877 /nfs/dbraw/zinc/86/98/77/1072869877.db2.gz XFHBDTKVFDBDLK-BUELQQIUSA-N 0 0 795.343 7.732 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190235 1072871435 /nfs/dbraw/zinc/87/14/35/1072871435.db2.gz QIDGDHJKDBILOI-BXMULHQWSA-N 0 0 781.700 6.747 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409189548 1072876253 /nfs/dbraw/zinc/87/62/53/1072876253.db2.gz HSLWEWMSBQQVEC-MQCBVOCZSA-N 0 0 801.734 7.892 40 5 KKBBRN O=c1c(=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000409189376 1072877397 /nfs/dbraw/zinc/87/73/97/1072877397.db2.gz FXDIPCSQOBQGIY-KEBDBYFISA-N 0 0 567.439 5.608 40 5 KKBBRN O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409189194 1072877924 /nfs/dbraw/zinc/87/79/24/1072877924.db2.gz FFLATBHBTUXOHU-KPFFVQBGSA-N 0 0 598.203 6.083 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000409188697 1072880600 /nfs/dbraw/zinc/88/06/00/1072880600.db2.gz KAVJICMBHGVPGO-MFKUBSTISA-N 0 0 516.962 7.221 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188785 1072881084 /nfs/dbraw/zinc/88/10/84/1072881084.db2.gz ALJAFKURJBFQRI-ZWTBYVTRSA-N 0 0 742.066 6.992 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409188671 1072882055 /nfs/dbraw/zinc/88/20/55/1072882055.db2.gz JMVJTYQNNZGRRN-GNZKFENCSA-N 0 0 807.354 7.714 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409187756 1072885597 /nfs/dbraw/zinc/88/55/97/1072885597.db2.gz BNJZIFCOMFLURZ-VMCUCKNMSA-N 0 0 764.289 6.874 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206983 1072887763 /nfs/dbraw/zinc/88/77/63/1072887763.db2.gz OCKLMHGGJVOSDW-MTJSOVHGSA-N 0 0 599.419 5.618 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409206379 1072892030 /nfs/dbraw/zinc/89/20/30/1072892030.db2.gz IXRXIERNMZQJRT-OEAKJJBVSA-N 0 0 544.507 6.694 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409206189 1072894585 /nfs/dbraw/zinc/89/45/85/1072894585.db2.gz MZEBFILGMCDZAY-JJFYIABZSA-N 0 0 602.850 6.265 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204476 1072904103 /nfs/dbraw/zinc/90/41/03/1072904103.db2.gz GXKWPWOYUIBLGP-DHRITJCHSA-N 0 0 670.494 5.781 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409204581 1072904600 /nfs/dbraw/zinc/90/46/00/1072904600.db2.gz APQDFPYPGIBHKJ-AWQFTUOYSA-N 0 0 619.837 5.882 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409204251 1072906115 /nfs/dbraw/zinc/90/61/15/1072906115.db2.gz DZVGPXPXTMCVRL-VPNURPJOSA-N 0 0 568.526 6.183 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409203517 1072909597 /nfs/dbraw/zinc/90/95/97/1072909597.db2.gz YLWODVBPMXBTBR-SRZZPIQSSA-N 0 0 622.824 6.681 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409201967 1072915964 /nfs/dbraw/zinc/91/59/64/1072915964.db2.gz RQGVJWJMEXGUFM-MTJSOVHGSA-N 0 0 556.394 6.180 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409201046 1072919555 /nfs/dbraw/zinc/91/95/55/1072919555.db2.gz UQAMDQUWWCVVGS-NVMNQCDNSA-N 0 0 582.816 5.253 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409200443 1072922334 /nfs/dbraw/zinc/92/23/34/1072922334.db2.gz SFIHZFBANXDQEP-BFNDQCEFSA-N 0 0 603.369 6.546 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409200346 1072923261 /nfs/dbraw/zinc/92/32/61/1072923261.db2.gz KXWKSHNHHGLSKN-UFFVCSGVSA-N 0 0 568.526 6.040 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409198973 1072926881 /nfs/dbraw/zinc/92/68/81/1072926881.db2.gz GLBIQLKWMBUUQT-FVUPAENESA-N 0 0 545.526 5.072 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409198977 1072926929 /nfs/dbraw/zinc/92/69/29/1072926929.db2.gz GLBIQLKWMBUUQT-VPNURPJOSA-N 0 0 545.526 5.072 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409198902 1072928002 /nfs/dbraw/zinc/92/80/02/1072928002.db2.gz MKIVVTINKCFVLY-BUVRLJJBSA-N 0 0 558.534 7.084 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198280 1072931418 /nfs/dbraw/zinc/93/14/18/1072931418.db2.gz BOHNUYDXTCHNKL-NUGSKGIGSA-N 0 0 711.772 7.036 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409198083 1072931921 /nfs/dbraw/zinc/93/19/21/1072931921.db2.gz WRIYZUYDNGBBTP-FMQZQXMHSA-N 0 0 558.783 5.407 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409198025 1072933399 /nfs/dbraw/zinc/93/33/99/1072933399.db2.gz UXJYRMTUJNZVSK-GNKPEBMXSA-N 0 0 549.399 5.314 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409197684 1072934306 /nfs/dbraw/zinc/93/43/06/1072934306.db2.gz MCYJYTZNQOEVLI-FOKLQQMPSA-N 0 0 601.515 5.852 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409197567 1072935595 /nfs/dbraw/zinc/93/55/95/1072935595.db2.gz IVJVLOKGUWIOHU-SRZZPIQSSA-N 0 0 579.425 5.325 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214414 1072952542 /nfs/dbraw/zinc/95/25/42/1072952542.db2.gz XJILRMPQYKYSGO-LSHDLFTRSA-N 0 0 575.824 6.839 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409211569 1072962117 /nfs/dbraw/zinc/96/21/17/1072962117.db2.gz ODYSIBKPJWOEPV-SRZZPIQSSA-N 0 0 592.798 6.673 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccccc1 ZINC000409227106 1072971095 /nfs/dbraw/zinc/97/10/95/1072971095.db2.gz XLCGOGSCZMOQIF-SSDVNMTOSA-N 0 0 607.360 7.088 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)c1ccc(Br)cc1 ZINC000409226899 1072972463 /nfs/dbraw/zinc/97/24/63/1072972463.db2.gz XTFKLFOQJOVDSM-RGVLZGJSSA-N 0 0 513.325 5.537 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409226312 1072975015 /nfs/dbraw/zinc/97/50/15/1072975015.db2.gz UUYXAJYOQWTRQU-KEBDBYFISA-N 0 0 531.905 5.331 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409226098 1072975576 /nfs/dbraw/zinc/97/55/76/1072975576.db2.gz SBXYDQCBTCMUNJ-ZVHZXABRSA-N 0 0 597.443 6.254 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409226177 1072976114 /nfs/dbraw/zinc/97/61/14/1072976114.db2.gz SPXPYEWDAHGAIJ-XKZIYDEJSA-N 0 0 505.508 5.100 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409225157 1072980262 /nfs/dbraw/zinc/98/02/62/1072980262.db2.gz PDTZPLXFYNSFGT-YVNNLAQVSA-N 0 0 620.840 6.404 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222084 1072996161 /nfs/dbraw/zinc/99/61/61/1072996161.db2.gz AQWVXNBLOSFLNC-DJKKODMXSA-N 0 0 580.775 6.085 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409228502 1073027015 /nfs/dbraw/zinc/02/70/15/1073027015.db2.gz ASXGAUZPPJNQOL-YDZHTSKRSA-N 0 0 584.006 5.519 40 5 KKBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409227546 1073030698 /nfs/dbraw/zinc/03/06/98/1073030698.db2.gz PVSSPVXVPYUCKU-FYJGNVAPSA-N 0 0 508.328 5.029 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409235994 1073042289 /nfs/dbraw/zinc/04/22/89/1073042289.db2.gz RANAWKBANMPJAW-WSDLNYQXSA-N 0 0 679.876 6.115 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230880 1073068379 /nfs/dbraw/zinc/06/83/79/1073068379.db2.gz GXEFPLBHLUNGQA-WSDLNYQXSA-N 0 0 552.381 5.346 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409247299 1073071873 /nfs/dbraw/zinc/07/18/73/1073071873.db2.gz MDVKGCFQDYHUTK-CVKSISIWSA-N 0 0 530.989 7.217 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1cccc(F)c1 ZINC000409246864 1073073387 /nfs/dbraw/zinc/07/33/87/1073073387.db2.gz KIBSEWNQYHLVRO-UFFVCSGVSA-N 0 0 576.389 6.295 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409244247 1073089636 /nfs/dbraw/zinc/08/96/36/1073089636.db2.gz AAKHPAKDOJOMSP-RGVLZGJSSA-N 0 0 521.389 5.781 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409244146 1073090161 /nfs/dbraw/zinc/09/01/61/1073090161.db2.gz YMTQQGWCGZRQEN-YDZHTSKRSA-N 0 0 569.401 5.574 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409244110 1073090201 /nfs/dbraw/zinc/09/02/01/1073090201.db2.gz XUOHUQDJNFHJHQ-SSDVNMTOSA-N 0 0 571.970 5.650 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409243870 1073091735 /nfs/dbraw/zinc/09/17/35/1073091735.db2.gz VPNNNVAOTVZBSP-SSDVNMTOSA-N 0 0 586.395 5.750 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409241522 1073101706 /nfs/dbraw/zinc/10/17/06/1073101706.db2.gz OCLWNEQAKSFXSU-WSDLNYQXSA-N 0 0 589.851 6.835 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409239784 1073112864 /nfs/dbraw/zinc/11/28/64/1073112864.db2.gz FDOAAAXBXIOJNF-FOKLQQMPSA-N 0 0 632.876 6.273 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409239641 1073113915 /nfs/dbraw/zinc/11/39/15/1073113915.db2.gz HVEBAIHPQCFMJD-FSJBWODESA-N 0 0 553.980 5.511 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000409237810 1073124442 /nfs/dbraw/zinc/12/44/42/1073124442.db2.gz JSDYTVWQILHSJB-CIAFOILYSA-N 0 0 681.224 5.476 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409237849 1073124454 /nfs/dbraw/zinc/12/44/54/1073124454.db2.gz JDZMZDGRNHKOBO-SRZZPIQSSA-N 0 0 572.799 6.086 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409249624 1073140806 /nfs/dbraw/zinc/14/08/06/1073140806.db2.gz KAVYSQLRFLWISU-ZMOGYAJESA-N 0 0 678.888 6.750 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(I)cc1 ZINC000409249511 1073141807 /nfs/dbraw/zinc/14/18/07/1073141807.db2.gz IUGVVQUFGDTVIL-FBHDLOMBSA-N 0 0 748.271 7.448 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409248620 1073146941 /nfs/dbraw/zinc/14/69/41/1073146941.db2.gz FBWHVINGEWBZPG-LGJNPRDNSA-N 0 0 654.495 5.919 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409248314 1073149327 /nfs/dbraw/zinc/14/93/27/1073149327.db2.gz PMRXXKYDCLUWEN-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409247463 1073154198 /nfs/dbraw/zinc/15/41/98/1073154198.db2.gz CIPBCYZINBTNCQ-OYKKKHCWSA-N 0 0 561.572 5.196 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409247375 1073155358 /nfs/dbraw/zinc/15/53/58/1073155358.db2.gz BWASOVFGRVNGGJ-FSJBWODESA-N 0 0 664.861 6.360 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409251530 1073192708 /nfs/dbraw/zinc/19/27/08/1073192708.db2.gz PKJRJQUDLOWWEY-OYKKKHCWSA-N 0 0 533.562 5.166 40 5 KKBBRN CO[C@]1(C)[C@H](N(C)C(=O)c2ccccc2)[C@@]2(C)O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC001569989194 1073197426 /nfs/dbraw/zinc/19/74/26/1073197426.db2.gz FQAGRUVGWSIIQA-NZKHRDNMSA-N 0 0 584.676 6.081 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC001570006804 1073198148 /nfs/dbraw/zinc/19/81/48/1073198148.db2.gz MCSXGHLTXBACQB-RQWWHMNSSA-N 0 0 535.769 9.162 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409266837 1073198370 /nfs/dbraw/zinc/19/83/70/1073198370.db2.gz YREZBZMHCUOUEE-QRVIBDJDSA-N 0 0 645.431 5.462 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409265540 1073206443 /nfs/dbraw/zinc/20/64/43/1073206443.db2.gz TUXHNZYVZVPXMF-ZMOGYAJESA-N 0 0 631.888 6.908 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409265052 1073207844 /nfs/dbraw/zinc/20/78/44/1073207844.db2.gz NMFVXLAOBQPDNI-QRVIBDJDSA-N 0 0 645.431 5.462 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409264924 1073209246 /nfs/dbraw/zinc/20/92/46/1073209246.db2.gz MWNPCAWPDZJZLN-AUEPDCJTSA-N 0 0 652.306 7.171 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409259499 1073240208 /nfs/dbraw/zinc/24/02/08/1073240208.db2.gz ZTUDCTXEUQPKKD-SSDVNMTOSA-N 0 0 726.286 6.302 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409257335 1073252095 /nfs/dbraw/zinc/25/20/95/1073252095.db2.gz QCTGKOBRMMOLKW-UHFFFAOYSA-N 0 0 512.385 6.192 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409257445 1073252537 /nfs/dbraw/zinc/25/25/37/1073252537.db2.gz OTYCDEIYZCZGIV-UHFFFAOYSA-N 0 0 537.981 5.875 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271930 1073258894 /nfs/dbraw/zinc/25/88/94/1073258894.db2.gz FGPKWZNORCXGFT-SSDVNMTOSA-N 0 0 573.461 6.233 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000409271548 1073262719 /nfs/dbraw/zinc/26/27/19/1073262719.db2.gz JXQSYYWNRMAIOJ-JAIQZWGSSA-N 0 0 565.323 7.409 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409270819 1073266871 /nfs/dbraw/zinc/26/68/71/1073266871.db2.gz AYGBMGXECRSHEC-ZRGSRPPYSA-N 0 0 576.627 5.644 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409270759 1073267625 /nfs/dbraw/zinc/26/76/25/1073267625.db2.gz AHCQBHNIOGEDQY-ZMOGYAJESA-N 0 0 538.965 5.755 40 5 KKBBRN O=C1S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000409270808 1073268405 /nfs/dbraw/zinc/26/84/05/1073268405.db2.gz AWKYKTKWZYRNDL-SRZZPIQSSA-N 0 0 536.928 6.359 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409270625 1073268464 /nfs/dbraw/zinc/26/84/64/1073268464.db2.gz HTHISXVNXPZCAQ-VMCUCKNMSA-N 0 0 635.790 6.142 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1Cl ZINC000409270188 1073271460 /nfs/dbraw/zinc/27/14/60/1073271460.db2.gz GJIMAAYZZQDGDB-JMIUGGIZSA-N 0 0 540.941 5.119 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409269743 1073274919 /nfs/dbraw/zinc/27/49/19/1073274919.db2.gz DEWFUCFMRRFGJC-DJKKODMXSA-N 0 0 531.468 5.564 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl ZINC000409269710 1073276127 /nfs/dbraw/zinc/27/61/27/1073276127.db2.gz LZAQDECBHNHTNJ-NHDPSOOVSA-N 0 0 570.967 5.128 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc2ccccc21 ZINC000409269475 1073277172 /nfs/dbraw/zinc/27/71/72/1073277172.db2.gz CBNXGLZMVCEZES-YDZHTSKRSA-N 0 0 533.949 6.336 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409268221 1073285880 /nfs/dbraw/zinc/28/58/80/1073285880.db2.gz ZUIDYHRYNXXBPJ-XYGWBWBKSA-N 0 0 619.633 5.199 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc4ccccc4c3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276072 1073292586 /nfs/dbraw/zinc/29/25/86/1073292586.db2.gz YDJHAGMKYKMMQO-YUMHPJSZSA-N 0 0 524.554 6.246 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F ZINC000409275518 1073297946 /nfs/dbraw/zinc/29/79/46/1073297946.db2.gz VKDIKUUHTXLYLE-ZVBGSRNCSA-N 0 0 579.459 6.359 40 5 KKBBRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409275421 1073298652 /nfs/dbraw/zinc/29/86/52/1073298652.db2.gz JJQODOGQRQZOHN-QRVIBDJDSA-N 0 0 535.559 5.882 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)cc1F ZINC000409275288 1073300647 /nfs/dbraw/zinc/30/06/47/1073300647.db2.gz TWQWLPCIBAHEJM-DJKKODMXSA-N 0 0 564.320 5.571 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409275318 1073300654 /nfs/dbraw/zinc/30/06/54/1073300654.db2.gz ZZHGBELMZKSAPF-GATIEOLUSA-N 0 0 549.967 6.310 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409274825 1073306323 /nfs/dbraw/zinc/30/63/23/1073306323.db2.gz GDAIRJLORNNCNZ-JJFYIABZSA-N 0 0 564.925 7.699 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409274753 1073307572 /nfs/dbraw/zinc/30/75/72/1073307572.db2.gz XKERBBJDDQLRSZ-SRZZPIQSSA-N 0 0 525.926 5.363 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409274519 1073309737 /nfs/dbraw/zinc/30/97/37/1073309737.db2.gz OWMYKIAEMNBOGD-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409274521 1073309744 /nfs/dbraw/zinc/30/97/44/1073309744.db2.gz OXILJPYIEAFPRL-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409274176 1073312346 /nfs/dbraw/zinc/31/23/46/1073312346.db2.gz NHGFBSBACMIENG-KEBDBYFISA-N 0 0 558.931 5.288 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc(Cl)cc1 ZINC000409273820 1073316580 /nfs/dbraw/zinc/31/65/80/1073316580.db2.gz LQCGJNVTCPJFKC-KEBDBYFISA-N 0 0 503.319 6.081 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273712 1073318038 /nfs/dbraw/zinc/31/80/38/1073318038.db2.gz RNMUXVKVWNZODD-KEBDBYFISA-N 0 0 513.871 5.336 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000409273581 1073319134 /nfs/dbraw/zinc/31/91/34/1073319134.db2.gz KEASGIMKMNASJY-GIJQJNRQSA-N 0 0 517.441 5.256 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409273577 1073319251 /nfs/dbraw/zinc/31/92/51/1073319251.db2.gz KBRIGKZVAWNJMD-ZMOGYAJESA-N 0 0 587.437 6.799 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc2ccccc21 ZINC000409273385 1073319815 /nfs/dbraw/zinc/31/98/15/1073319815.db2.gz QJBDZQHDIHIFCT-YDZHTSKRSA-N 0 0 578.400 6.446 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000409276940 1073324913 /nfs/dbraw/zinc/32/49/13/1073324913.db2.gz YIBGYSPOCJLTEG-WGARJPEWSA-N 0 0 540.601 5.890 40 5 KKBBRN CCCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409276743 1073326037 /nfs/dbraw/zinc/32/60/37/1073326037.db2.gz VTHLZNZHDMMQER-RQZCQDPDSA-N 0 0 531.306 6.615 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409272852 1073336125 /nfs/dbraw/zinc/33/61/25/1073336125.db2.gz HQCBGOINNCICMP-SSDVNMTOSA-N 0 0 580.487 5.131 40 5 KKBBRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000013540662 530072260 /nfs/dbraw/zinc/07/22/60/530072260.db2.gz SPJFYYJXNPEZDW-FTJOPAKQSA-O 0 0 520.668 5.544 40 5 endogenous,in-man KKBBRN Cc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)c3c2N)cc1[N+](=O)[O-] ZINC000006280905 193880313 /nfs/dbraw/zinc/88/03/13/193880313.db2.gz BKMJTDIKTVRGIR-UHFFFAOYSA-N 0 0 549.439 7.988 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224507266 193952268 /nfs/dbraw/zinc/95/22/68/193952268.db2.gz UKZNWKTWYMUZCW-DHIUTWEWSA-N 0 0 520.412 5.720 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 ZINC000224516774 193957582 /nfs/dbraw/zinc/95/75/82/193957582.db2.gz UGSGRXRNBRBPIP-PKTZIBPZSA-N 0 0 521.396 6.189 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408852091 195492232 /nfs/dbraw/zinc/49/22/32/195492232.db2.gz IBFOECBUPZNHQS-SZYVSPPHSA-N 0 0 771.484 6.598 40 5 KKBBRN Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)C(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000001436419 551671238 /nfs/dbraw/zinc/67/12/38/551671238.db2.gz UHCKOKANBDNFBJ-HHHXNRCGSA-N 0 0 572.445 5.531 40 5 KKBBRN COC(=O)c1c(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001787362 551700901 /nfs/dbraw/zinc/70/09/01/551700901.db2.gz QNVGSFGFNWFCDG-LBPRGKRZSA-N 0 0 525.421 5.374 40 5 KKBBRN O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001844955 551714691 /nfs/dbraw/zinc/71/46/91/551714691.db2.gz QJXFMIIJVTXZRZ-UHFFFAOYSA-N 0 0 580.687 5.659 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000001847905 551714892 /nfs/dbraw/zinc/71/48/92/551714892.db2.gz HIZHQHZFMUEXBW-OAHLLOKOSA-N 0 0 553.040 7.095 40 5 KKBBRN O=Cc1ccc(Sc2nnc(CSCc3cccc4ccccc43)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000002381209 552107572 /nfs/dbraw/zinc/10/75/72/552107572.db2.gz CUEZOSUKWBWOIY-UHFFFAOYSA-N 0 0 512.616 6.726 40 5 KKBBRN O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000002773334 552185806 /nfs/dbraw/zinc/18/58/06/552185806.db2.gz QGZBLYGUHAHBAL-UHFFFAOYSA-N 0 0 528.473 5.914 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nccc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1 ZINC000003099981 552288160 /nfs/dbraw/zinc/28/81/60/552288160.db2.gz VQAACCNCHWXLFK-UHFFFAOYSA-N 0 0 560.526 6.132 40 5 KKBBRN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000003139469 552294228 /nfs/dbraw/zinc/29/42/28/552294228.db2.gz UWSULCXJUDAIRX-UHFFFAOYSA-N 0 0 500.682 5.399 40 5 KKBBRN O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cc3ccc4nc(-c5cccc([N+](=O)[O-])c5)oc(=O)c4c3)cc12 ZINC000003142722 552294787 /nfs/dbraw/zinc/29/47/87/552294787.db2.gz COZAFOCZYFHGOC-UHFFFAOYSA-N 0 0 548.467 5.431 40 5 KKBBRN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c2)cc1C ZINC000003142891 552295314 /nfs/dbraw/zinc/29/53/14/552295314.db2.gz OWSPFUJTQXNMRA-UHFFFAOYSA-N 0 0 507.502 6.057 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000003192708 552302404 /nfs/dbraw/zinc/30/24/04/552302404.db2.gz RFQKGDBMQGPEGG-UHFFFAOYSA-N 0 0 529.117 6.551 40 5 KKBBRN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000003244656 552319967 /nfs/dbraw/zinc/31/99/67/552319967.db2.gz XIYTXTBYKMBABC-UHFFFAOYSA-N 0 0 520.563 5.813 40 5 KKBBRN CC(=O)N(C(C)=O)c1cc(N(C(C)=O)C(C)=O)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 ZINC000003845329 552420214 /nfs/dbraw/zinc/42/02/14/552420214.db2.gz INTJSDSHKVQTFE-YTEMWHBBSA-N 0 0 525.561 5.734 40 5 KKBBRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 ZINC000004048145 552431676 /nfs/dbraw/zinc/43/16/76/552431676.db2.gz NYXWOKXMYHHPEP-ZBMOXSJNSA-N 0 0 599.690 8.910 40 5 KKBBRN CCc1c2cc3nc(cc4[nH]c(cc5[nH]c(cc(n2)c1CC)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC ZINC000004208852 552448871 /nfs/dbraw/zinc/44/88/71/552448871.db2.gz XFIIGRBIXXECHR-UHFFFAOYSA-N 0 0 534.792 9.369 40 5 KKBBRN COC(=O)CN(c1ccc2cc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3nc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000004232952 552451275 /nfs/dbraw/zinc/45/12/75/552451275.db2.gz DXUANLLRLCIIPY-UHFFFAOYSA-N 0 0 589.695 5.174 40 5 KKBBRN CC(=O)Oc1c2ccc([N+](=O)[O-])cc2[nH]c1-c1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OC(C)=O)c1 ZINC000004265841 552454546 /nfs/dbraw/zinc/45/45/46/552454546.db2.gz HQRJCLZLXMYIMZ-UHFFFAOYSA-N 0 0 514.450 5.650 40 5 KKBBRN Cn1c2ccccc2c(=O)c2cc(NC(=O)CCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 ZINC000005615539 552505488 /nfs/dbraw/zinc/50/54/88/552505488.db2.gz AKRBHLRIMVWYFN-UHFFFAOYSA-N 0 0 530.584 5.054 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc(Cl)c(Cl)c2)cc1/C=C\c1ccc(Cl)c(Cl)c1 ZINC000005722881 552507288 /nfs/dbraw/zinc/50/72/88/552507288.db2.gz YYZPXBXVBQSBDG-IOBHVTPZSA-N 0 0 510.160 8.457 40 5 KKBBRN C[C@@H](Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177395 552560508 /nfs/dbraw/zinc/56/05/08/552560508.db2.gz FOOMBHODKNMLIP-MRXNPFEDSA-N 0 0 508.991 5.560 40 5 KKBBRN Cc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006280064 552575895 /nfs/dbraw/zinc/57/58/95/552575895.db2.gz IKKXZZHOWSQRES-UHFFFAOYSA-N 0 0 537.045 6.097 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000006280068 552575900 /nfs/dbraw/zinc/57/59/00/552575900.db2.gz LCHJDXQDHCDDEP-UHFFFAOYSA-N 0 0 514.394 6.189 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1 ZINC000006280752 552576698 /nfs/dbraw/zinc/57/66/98/552576698.db2.gz NGYUTDLTINRLAJ-UHFFFAOYSA-N 0 0 526.578 5.342 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1-c1ccccc1 ZINC000006280758 552576738 /nfs/dbraw/zinc/57/67/38/552576738.db2.gz OBYWLBHSQORTPX-UHFFFAOYSA-N 0 0 511.563 5.741 40 5 KKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000006474599 552592862 /nfs/dbraw/zinc/59/28/62/552592862.db2.gz XFERANAJRQEDOH-UHFFFAOYSA-N 0 0 537.626 6.764 40 5 KKBBRN O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474830 552593192 /nfs/dbraw/zinc/59/31/92/552593192.db2.gz SKLMDFAVJUDFMM-UHFFFAOYSA-N 0 0 510.373 5.336 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000006501249 552596382 /nfs/dbraw/zinc/59/63/82/552596382.db2.gz UHGQCXBJESHKCT-QYRZKEDASA-N 0 0 506.558 5.701 40 5 KKBBRN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000008623929 553103697 /nfs/dbraw/zinc/10/36/97/553103697.db2.gz BGDNAUNMXHLBPW-VQIMIIECSA-N 0 0 501.534 5.815 40 5 biogenic,in-vitro KKBBRN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833002 553158975 /nfs/dbraw/zinc/15/89/75/553158975.db2.gz ANXIRRJFAFJDEQ-UHFFFAOYSA-N 0 0 502.021 5.489 40 5 KKBBRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000008833160 553159520 /nfs/dbraw/zinc/15/95/20/553159520.db2.gz VSEFTLVRXPQTGK-UHFFFAOYSA-N 0 0 515.595 5.747 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000008833351 553160313 /nfs/dbraw/zinc/16/03/13/553160313.db2.gz PBYNQSNZEFSJEM-UHFFFAOYSA-N 0 0 506.540 5.197 40 5 KKBBRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000008835301 553161814 /nfs/dbraw/zinc/16/18/14/553161814.db2.gz GEIYLGGFCDVVLS-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008899218 553180632 /nfs/dbraw/zinc/18/06/32/553180632.db2.gz ZTVWYTGUQVGUMP-UHFFFAOYSA-N 0 0 511.365 6.871 40 5 KKBBRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008900015 553181099 /nfs/dbraw/zinc/18/10/99/553181099.db2.gz QUNTXZGYXXAUDK-UHFFFAOYSA-N 0 0 504.546 6.923 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008901969 553182516 /nfs/dbraw/zinc/18/25/16/553182516.db2.gz FOBHVVCSTQVAHB-UHFFFAOYSA-N 0 0 505.383 5.178 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008902024 553182532 /nfs/dbraw/zinc/18/25/32/553182532.db2.gz XUOWPPAIACNDAQ-UHFFFAOYSA-N 0 0 502.552 5.131 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000008902168 553182538 /nfs/dbraw/zinc/18/25/38/553182538.db2.gz IRNZDJBKEACUTC-XBXARRHUSA-N 0 0 515.353 5.109 40 5 KKBBRN CC(C)(C)c1ccc2c(c1)[C@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000008927019 553191618 /nfs/dbraw/zinc/19/16/18/553191618.db2.gz DXEVLMYTGDEGKM-BIYDSLDMSA-N 0 0 508.618 6.586 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000009345861 553244280 /nfs/dbraw/zinc/24/42/80/553244280.db2.gz NOMWOLSPSJFZEY-SGNDLWITSA-N 0 0 507.930 5.088 40 5 KKBBRN O=c1c2cc(Br)ccc2oc2nc(-c3ccccc3Cl)n(CCc3ccccc3)c(=O)c12 ZINC000011851721 553343791 /nfs/dbraw/zinc/34/37/91/553343791.db2.gz YUUKCNUSEBACNN-UHFFFAOYSA-N 0 0 507.771 5.829 40 5 KKBBRN CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000012040717 553350351 /nfs/dbraw/zinc/35/03/51/553350351.db2.gz LECHFEUJMHIKBP-UHFFFAOYSA-N 0 0 520.563 5.813 40 5 KKBBRN Cc1ccc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)c(Br)c1 ZINC000013084385 553445453 /nfs/dbraw/zinc/44/54/53/553445453.db2.gz FNPRZXCKEQFVSA-UHFFFAOYSA-N 0 0 509.454 6.503 40 5 KKBBRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014274349 553507277 /nfs/dbraw/zinc/50/72/77/553507277.db2.gz KVQAMHPKQLMTHW-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014275393 553508300 /nfs/dbraw/zinc/50/83/00/553508300.db2.gz KAESSBNLXXMFDF-UHFFFAOYSA-N 0 0 500.584 5.255 40 5 KKBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000014275326 553508303 /nfs/dbraw/zinc/50/83/03/553508303.db2.gz JIAKCZOLGONEQR-UHFFFAOYSA-N 0 0 503.392 6.305 40 5 KKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277560 553510302 /nfs/dbraw/zinc/51/03/02/553510302.db2.gz MMYHEHZJUDJMKW-UHFFFAOYSA-N 0 0 513.406 7.031 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014278389 553510738 /nfs/dbraw/zinc/51/07/38/553510738.db2.gz DDMRWKMDICISLS-UHFFFAOYSA-N 0 0 505.284 6.073 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014278395 553510768 /nfs/dbraw/zinc/51/07/68/553510768.db2.gz QLYKOFLGTVYIEQ-UHFFFAOYSA-N 0 0 505.284 6.073 40 5 KKBBRN COc1cc(C(=O)Nc2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015304253 553530964 /nfs/dbraw/zinc/53/09/64/553530964.db2.gz JNHONTLHCZPTJP-UHFFFAOYSA-N 0 0 511.250 6.429 40 5 KKBBRN Cc1c(Br)c([N+](=O)[O-])c(C(=O)OCc2ccccc2)c([N+](=O)[O-])c1OCc1ccccc1 ZINC000016249242 553557703 /nfs/dbraw/zinc/55/77/03/553557703.db2.gz JWYNLIBVXHJOBG-UHFFFAOYSA-N 0 0 501.289 5.510 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000016449309 553565120 /nfs/dbraw/zinc/56/51/20/553565120.db2.gz GJDATZMNCUCWDB-UHFFFAOYSA-N 0 0 508.384 5.225 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000016611177 553569737 /nfs/dbraw/zinc/56/97/37/553569737.db2.gz RFAZPXMURGRVJC-AWEZNQCLSA-N 0 0 508.987 6.697 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000070451207 553593877 /nfs/dbraw/zinc/59/38/77/553593877.db2.gz ABTRFGSPYXCGMR-HCLIQTESSA-N 0 0 552.887 11.743 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020153125 553597375 /nfs/dbraw/zinc/59/73/75/553597375.db2.gz ZWDUWJPBLXEUIP-UHFFFAOYSA-N 0 0 508.600 5.019 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019855938 553625525 /nfs/dbraw/zinc/62/55/25/553625525.db2.gz FDCYRPURSNYNKE-UHFFFAOYSA-N 0 0 501.564 5.551 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000019856385 553627110 /nfs/dbraw/zinc/62/71/10/553627110.db2.gz LKVCHAVFWVLWJE-UHFFFAOYSA-N 0 0 511.600 5.178 40 5 KKBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6ccc(C(C)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708083 553632042 /nfs/dbraw/zinc/63/20/42/553632042.db2.gz VBXUDYCVQPWDMY-KRWDZBQOSA-N 0 0 535.556 5.218 40 5 biogenic KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411072 553646302 /nfs/dbraw/zinc/64/63/02/553646302.db2.gz QXOWPTFKKRTHLA-FMIVXFBMSA-N 0 0 500.492 5.962 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020452009 553651682 /nfs/dbraw/zinc/65/16/82/553651682.db2.gz RJJZVGTVKZROBE-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 ZINC000073337304 553653268 /nfs/dbraw/zinc/65/32/68/553653268.db2.gz FBUGLGNPTQPWBY-UHFFFAOYSA-N 0 0 580.729 7.357 40 5 KKBBRN Cc1ccc([C@H](NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020039134 553668328 /nfs/dbraw/zinc/66/83/28/553668328.db2.gz NGWRCGREYIILOT-MUUNZHRXSA-N 0 0 515.591 5.004 40 5 KKBBRN Brc1cc2ccc3ccccc3c2cc1/C=C\c1ccc2cc(/C=C\c3cc4c(ccc5ccccc54)cc3Br)ccc2c1 ZINC000095100333 553698678 /nfs/dbraw/zinc/69/86/78/553698678.db2.gz JGWNYDNOPYEIHK-NFLUSIDLSA-N 0 0 690.478 13.318 40 5 KKBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000021576616 553712750 /nfs/dbraw/zinc/71/27/50/553712750.db2.gz QVDAMGRWBQSTBI-JLHYYAGUSA-N 0 0 522.989 5.609 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022828910 553754060 /nfs/dbraw/zinc/75/40/60/553754060.db2.gz HGOFPZXDTPCDFN-NTUHNPAUSA-N 0 0 504.978 5.789 40 5 KKBBRN Cc1c(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cccc1[N+](=O)[O-] ZINC000022830227 553754696 /nfs/dbraw/zinc/75/46/96/553754696.db2.gz YSVDQUFHFXYSFW-UHFFFAOYSA-N 0 0 506.431 5.178 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000022833465 553756025 /nfs/dbraw/zinc/75/60/25/553756025.db2.gz NTKSJLBCOABBIG-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000096836820 553757598 /nfs/dbraw/zinc/75/75/98/553757598.db2.gz OAFSUZWLLTTXGQ-DQEYMECFSA-N 0 0 500.507 5.424 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000022842044 553758857 /nfs/dbraw/zinc/75/88/57/553758857.db2.gz UUYJEODFLFUQIG-UHFFFAOYSA-N 0 0 517.365 6.324 40 5 KKBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 ZINC000027515745 553826626 /nfs/dbraw/zinc/82/66/26/553826626.db2.gz UTTUKLGJFUFVEZ-AREMUKBSSA-N 0 0 512.497 5.928 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000032112069 553863827 /nfs/dbraw/zinc/86/38/27/553863827.db2.gz VQPFHPNSNDUACH-UHFFFAOYSA-N 0 0 502.939 6.336 40 5 KKBBRN Cc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] ZINC000032112006 553863876 /nfs/dbraw/zinc/86/38/76/553863876.db2.gz NOUKGUSFQSTPEU-UHFFFAOYSA-N 0 0 516.966 6.645 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114738 553864201 /nfs/dbraw/zinc/86/42/01/553864201.db2.gz MSYGPVXMYUGXAI-UHFFFAOYSA-N 0 0 508.943 5.682 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000032118922 553865278 /nfs/dbraw/zinc/86/52/78/553865278.db2.gz RJDZZOLUTKHUDN-UNOMPAQXSA-N 0 0 503.989 5.058 40 5 KKBBRN CC(=C\C=C/C=C(C)\C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C)/C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000032786178 553874841 /nfs/dbraw/zinc/87/48/41/553874841.db2.gz OENHQHLEOONYIE-MSGYROBQSA-N 0 0 536.888 12.606 40 5 KKBBRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000032786179 553874855 /nfs/dbraw/zinc/87/48/55/553874855.db2.gz OENHQHLEOONYIE-PAQPPKBXSA-N 0 0 536.888 12.606 40 5 KKBBRN O=C(Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000097966070 553906778 /nfs/dbraw/zinc/90/67/78/553906778.db2.gz QVXSIDVDOWXHTJ-UHFFFAOYSA-N 0 0 713.490 7.819 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033567091 553962853 /nfs/dbraw/zinc/96/28/53/553962853.db2.gz BYYAXDWEKQWFTD-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN C[C@@H]1[C@@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@]12CC[C@H](C)CO2 ZINC000034257517 553981175 /nfs/dbraw/zinc/98/11/75/553981175.db2.gz ULNDHEVVJSRKCY-UZZKXVLVSA-N 0 0 509.643 6.317 40 5 KKBBRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000097980169 553985842 /nfs/dbraw/zinc/98/58/42/553985842.db2.gz ZROFMDBZHNTQJE-AMDUHLOVSA-N 0 0 575.496 7.939 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000097986472 554024325 /nfs/dbraw/zinc/02/43/25/554024325.db2.gz NDDWDIUNRULTLD-FKBYEOEOSA-N 0 0 555.996 5.154 40 5 KKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147461 554036013 /nfs/dbraw/zinc/03/60/13/554036013.db2.gz ZZRCKEOUYOLDIC-SANMLTNESA-N 0 0 512.522 5.310 40 5 KKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OCC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147463 554036034 /nfs/dbraw/zinc/03/60/34/554036034.db2.gz JSTGVWFTENLIFM-AREMUKBSSA-N 0 0 512.522 5.310 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 ZINC000098048843 554162114 /nfs/dbraw/zinc/16/21/14/554162114.db2.gz HCUASSZGQJKMAB-JLNIMSJUSA-N 0 0 671.536 8.091 40 5 KKBBRN O=C(CN(Cc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100241685 554260753 /nfs/dbraw/zinc/26/07/53/554260753.db2.gz RYYDUDCCUBBBGV-NRFANRHFSA-N 0 0 553.786 5.638 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000100301400 554291367 /nfs/dbraw/zinc/29/13/67/554291367.db2.gz WQWCFHZOHQWOHW-QHHAFSJGSA-N 0 0 549.342 6.514 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000100323261 554306868 /nfs/dbraw/zinc/30/68/68/554306868.db2.gz UCVNVJRGQUVLCP-UKTHLTGXSA-N 0 0 549.056 6.160 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100339499 554324633 /nfs/dbraw/zinc/32/46/33/554324633.db2.gz NQONIKUBZAPVGP-WSDLNYQXSA-N 0 0 573.396 6.321 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100341004 554325419 /nfs/dbraw/zinc/32/54/19/554325419.db2.gz YJCADSSYTUMXBN-WSDLNYQXSA-N 0 0 543.370 6.312 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000100343155 554328739 /nfs/dbraw/zinc/32/87/39/554328739.db2.gz XOKZYUZVMGKRGH-XKZIYDEJSA-N 0 0 540.022 6.383 40 5 KKBBRN O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100347584 554330608 /nfs/dbraw/zinc/33/06/08/554330608.db2.gz FKOMUDJLVJPNLQ-UHFFFAOYSA-N 0 0 617.839 8.058 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000100349258 554330863 /nfs/dbraw/zinc/33/08/63/554330863.db2.gz PCPBPZGEXYEBND-SRZZPIQSSA-N 0 0 554.968 5.428 40 5 KKBBRN O=C(Oc1ccc(Cl)c(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000100349571 554330878 /nfs/dbraw/zinc/33/08/78/554330878.db2.gz FFJLDEWOCAIKKV-UHFFFAOYSA-N 0 0 600.559 6.120 40 5 KKBBRN COc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000057313720 554354352 /nfs/dbraw/zinc/35/43/52/554354352.db2.gz JXNILHZEOHPUEK-UHFFFAOYSA-N 0 0 506.923 6.497 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369158 554355240 /nfs/dbraw/zinc/35/52/40/554355240.db2.gz CDAGVIVOQNZMPH-ONUIUJJFSA-N 0 0 590.683 5.566 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-] ZINC000100380676 554362769 /nfs/dbraw/zinc/36/27/69/554362769.db2.gz AGVNCYIJEMCURN-UHFFFAOYSA-N 0 0 526.578 5.316 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000100386204 554364905 /nfs/dbraw/zinc/36/49/05/554364905.db2.gz AZBHSMIFCRIAIH-UHFFFAOYSA-N 0 0 534.553 6.943 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000100390957 554366656 /nfs/dbraw/zinc/36/66/56/554366656.db2.gz KPTWWPRFVYUFGL-ORSSICPCSA-N 0 0 544.947 5.709 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2cccc(S(=O)(=O)c3cccc(Sc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 ZINC000059101034 554377623 /nfs/dbraw/zinc/37/76/23/554377623.db2.gz FXOQOEHJDHUKHU-UHFFFAOYSA-N 0 0 524.601 6.638 40 5 KKBBRN Clc1c(Cl)c2c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c4c(Cl)c(Cl)c(c1Cl)c2c34 ZINC000059321687 554388352 /nfs/dbraw/zinc/38/83/52/554388352.db2.gz PCEGQBZAYJMQAZ-UHFFFAOYSA-N 0 0 546.706 11.118 40 5 KKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)c1 ZINC000059331433 554388664 /nfs/dbraw/zinc/38/86/64/554388664.db2.gz PUGRBIXZALJPRK-UHFFFAOYSA-N 0 0 517.611 5.273 40 5 KKBBRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331505 554388817 /nfs/dbraw/zinc/38/88/17/554388817.db2.gz SIHVOLWDFVZNCS-UHFFFAOYSA-N 0 0 519.608 5.304 40 5 KKBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331948 554392531 /nfs/dbraw/zinc/39/25/31/554392531.db2.gz DSYNRZJRZJEMHZ-UHFFFAOYSA-N 0 0 520.033 5.423 40 5 KKBBRN Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000059417120 554393495 /nfs/dbraw/zinc/39/34/95/554393495.db2.gz KGPBBKQKUCSCPX-UHFFFAOYSA-N 0 0 514.378 6.751 40 5 KKBBRN CC(C)(C)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000059461461 554396234 /nfs/dbraw/zinc/39/62/34/554396234.db2.gz JLXIMBNGCMPKIR-UHFFFAOYSA-N 0 0 501.627 6.050 40 5 KKBBRN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463630 554396551 /nfs/dbraw/zinc/39/65/51/554396551.db2.gz DGUBZCOVQVZWNU-UHFFFAOYSA-N 0 0 503.580 6.825 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1 ZINC000059474804 554396740 /nfs/dbraw/zinc/39/67/40/554396740.db2.gz SONATISKEFWLPS-UHFFFAOYSA-N 0 0 520.636 6.485 40 5 KKBBRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059886945 554467728 /nfs/dbraw/zinc/46/77/28/554467728.db2.gz DFLZXVADYNFRNN-UHFFFAOYSA-N 0 0 614.529 5.164 40 5 KKBBRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000060060239 554498759 /nfs/dbraw/zinc/49/87/59/554498759.db2.gz DWIQIAVTQUBMTD-OAQYLSRUSA-N 0 0 532.018 5.028 40 5 KKBBRN O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)Oc2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 ZINC000068563465 554539086 /nfs/dbraw/zinc/53/90/86/554539086.db2.gz SUZRYOJAGSEDLY-VAWYXSNFSA-N 0 0 582.568 5.209 40 5 KKBBRN COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5c6ccccc6cc6ccccc65)c(=O)n42)c2ccccc2CC3)c1 ZINC000100957032 554540194 /nfs/dbraw/zinc/54/01/94/554540194.db2.gz CCSDKWCQISKQRV-BPOMCQNBSA-N 0 0 580.709 6.642 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100957600 554540456 /nfs/dbraw/zinc/54/04/56/554540456.db2.gz OVCHAOGKMUJTEL-UHFFFAOYSA-N 0 0 515.866 5.231 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1Br ZINC000100957598 554540464 /nfs/dbraw/zinc/54/04/64/554540464.db2.gz GUSZUJBNMAKELD-UHFFFAOYSA-N 0 0 572.353 5.209 40 5 KKBBRN Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] ZINC000100958445 554541721 /nfs/dbraw/zinc/54/17/21/554541721.db2.gz DIVQYLRIROALKE-UQDCTOEPSA-N 0 0 551.649 5.857 40 5 KKBBRN O=C(c1ccccc1)c1ccc(SCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100984996 554548276 /nfs/dbraw/zinc/54/82/76/554548276.db2.gz WSPASLYYZOFZAT-UHFFFAOYSA-N 0 0 544.610 6.849 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@@H]23)C1O ZINC000101064475 554572026 /nfs/dbraw/zinc/57/20/26/554572026.db2.gz CASFWPMBCHBMJZ-CGBRIMPHSA-N 0 0 592.833 5.592 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064622 554572420 /nfs/dbraw/zinc/57/24/20/554572420.db2.gz WBXVQSYZJIZOMV-CKPORNQBSA-N 0 0 620.459 6.213 40 5 KKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4ccc([N+](=O)[O-])cc4)O[C@@H]3C2=O)cc1 ZINC000101155289 554658582 /nfs/dbraw/zinc/65/85/82/554658582.db2.gz WHORAWYKUZATPJ-PKTNWEFCSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccccc1F ZINC000101156957 554658804 /nfs/dbraw/zinc/65/88/04/554658804.db2.gz NSKVQDNPYBRCIR-HKBOAZHASA-N 0 0 502.285 5.092 40 5 KKBBRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000101215480 554681206 /nfs/dbraw/zinc/68/12/06/554681206.db2.gz KOZNBTMIHQFPFI-NTCAYCPXSA-N 0 0 544.615 5.666 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000101249656 554693819 /nfs/dbraw/zinc/69/38/19/554693819.db2.gz NOMWOLSPSJFZEY-VXNXHJTFSA-N 0 0 507.930 5.088 40 5 KKBBRN CC(/C=C/C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000101397763 554758956 /nfs/dbraw/zinc/75/89/56/554758956.db2.gz JKQXZKUSFCKOGQ-UKAGFSLHSA-N 0 0 568.886 10.547 40 5 KKBBRN O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2OCc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 ZINC000101575656 554799012 /nfs/dbraw/zinc/79/90/12/554799012.db2.gz JYVBWVNHFCRQMD-SDXDJHTJSA-N 0 0 523.570 6.120 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000101672112 554825571 /nfs/dbraw/zinc/82/55/71/554825571.db2.gz DCZXXQMCCGPPLB-UHFFFAOYSA-N 0 0 576.449 8.256 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000101964194 554853943 /nfs/dbraw/zinc/85/39/43/554853943.db2.gz JPXMHWGNTBKZTR-CRCYZHLCSA-N 0 0 572.067 6.202 40 5 KKBBRN CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191111 554894248 /nfs/dbraw/zinc/89/42/48/554894248.db2.gz NOYOEFCLXORAPK-WQDCPGLISA-N 0 0 597.671 6.649 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102581371 554972557 /nfs/dbraw/zinc/97/25/57/554972557.db2.gz NDUKOBZTHMYRQD-UHFFFAOYSA-N 0 0 593.430 5.210 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2cccs2)cc1OC ZINC000102581390 554972561 /nfs/dbraw/zinc/97/25/61/554972561.db2.gz PNJSTDKEKIYHMU-UHFFFAOYSA-N 0 0 539.407 5.254 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000102581378 554972578 /nfs/dbraw/zinc/97/25/78/554972578.db2.gz CVYKQWCCSPJVBG-UHFFFAOYSA-N 0 0 559.460 6.481 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(F)cc2)cc1 ZINC000102581365 554972601 /nfs/dbraw/zinc/97/26/01/554972601.db2.gz QFGVUBOXHOLQTF-UHFFFAOYSA-N 0 0 521.342 5.323 40 5 KKBBRN CC[C@@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@@H]5CC)c3[N+](=O)[O-])ccc21 ZINC000102586151 554973364 /nfs/dbraw/zinc/97/33/64/554973364.db2.gz RDCIJEUVXNEORQ-ZRZAMGCNSA-N 0 0 539.639 8.917 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102609694 554980740 /nfs/dbraw/zinc/98/07/40/554980740.db2.gz XZAZIBRNSBYXEZ-BVRKHOPBSA-N 0 0 593.481 7.699 40 5 KKBBRN COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(C)cc3)s2)cc2c1nc1ccc(C)cn1c2=O ZINC000102621530 554987074 /nfs/dbraw/zinc/98/70/74/554987074.db2.gz VVGHGLVSNDGOBL-UHFFFAOYSA-N 0 0 582.711 5.496 40 5 KKBBRN O=C(Oc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccccc1 ZINC000102628680 554988464 /nfs/dbraw/zinc/98/84/64/554988464.db2.gz WDLSFETWWHXCOW-UHFFFAOYSA-N 0 0 552.564 6.003 40 5 KKBBRN O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000102628709 554988525 /nfs/dbraw/zinc/98/85/25/554988525.db2.gz NYZQOIGPDRDQAV-UHFFFAOYSA-N 0 0 615.551 6.050 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102744124 555035235 /nfs/dbraw/zinc/03/52/35/555035235.db2.gz GUCSZVFFEVMVRB-SDHOMARFSA-N 0 0 533.899 5.698 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102871719 555102638 /nfs/dbraw/zinc/10/26/38/555102638.db2.gz NZYFSQLOPMUSLX-QKDODKLFSA-N 0 0 553.502 5.004 40 5 KKBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102890797 555126119 /nfs/dbraw/zinc/12/61/19/555126119.db2.gz BVDAAQKWCKLXRL-KCHLEUMXSA-N 0 0 583.528 5.013 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000103543464 555439646 /nfs/dbraw/zinc/43/96/46/555439646.db2.gz XHWJKRPGZBPKRW-KVOHOPFUSA-N 0 0 599.599 5.570 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000103548670 555442291 /nfs/dbraw/zinc/44/22/91/555442291.db2.gz NWWPPZXHZYEGEJ-CDACFMRSSA-N 0 0 590.035 6.494 40 5 KKBBRN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000103551680 555444088 /nfs/dbraw/zinc/44/40/88/555444088.db2.gz QHKWHOQKDBIHLI-HEFUCBFLSA-N 0 0 590.035 6.413 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000103555996 555446217 /nfs/dbraw/zinc/44/62/17/555446217.db2.gz IIGHFBBSFNYSHR-FFAHVWSXSA-N 0 0 545.551 5.434 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(-c3ccc(-c4nc([C@@H]5C=CC([N+](=O)[O-])=CC5)nc5ccccc54)cc3)n2)cc1 ZINC000103584272 555451880 /nfs/dbraw/zinc/45/18/80/555451880.db2.gz OFCUGDPWUBFTNZ-XMMPIXPASA-N 0 0 578.588 7.686 40 5 KKBBRN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103602779 555454433 /nfs/dbraw/zinc/45/44/33/555454433.db2.gz RMVMWKIXQRQJKV-XAZDILKDSA-N 0 0 571.589 5.317 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103750452 555467263 /nfs/dbraw/zinc/46/72/63/555467263.db2.gz KKWUTUAMWIRBRB-FUFNRSNVSA-N 0 0 571.655 5.398 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103754686 555468831 /nfs/dbraw/zinc/46/88/31/555468831.db2.gz KIWQPMSZKFRLPL-UHFFFAOYSA-N 0 0 543.424 5.950 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757260 555470386 /nfs/dbraw/zinc/47/03/86/555470386.db2.gz FECPAFXNHOYCRP-UMSFTDKQSA-N 0 0 599.672 7.261 40 5 KKBBRN O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000103763836 555472096 /nfs/dbraw/zinc/47/20/96/555472096.db2.gz KDODZDKSCSJCTD-WJOKGBTCSA-N 0 0 611.691 6.852 40 5 KKBBRN COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 ZINC000103765153 555472733 /nfs/dbraw/zinc/47/27/33/555472733.db2.gz RJTHWYLLFZTTPY-UHFFFAOYSA-N 0 0 597.725 6.284 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 ZINC000103768967 555474381 /nfs/dbraw/zinc/47/43/81/555474381.db2.gz OAFXJHDNNUHSQU-WJOKGBTCSA-N 0 0 551.693 7.517 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103772939 555475504 /nfs/dbraw/zinc/47/55/04/555475504.db2.gz LLEGFNFXNWTRHV-UHFFFAOYSA-N 0 0 539.460 5.521 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103772889 555475543 /nfs/dbraw/zinc/47/55/43/555475543.db2.gz IIXFJZQSBXVMBG-UHFFFAOYSA-N 0 0 523.461 5.816 40 5 KKBBRN CCOc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000103777283 555475760 /nfs/dbraw/zinc/47/57/60/555475760.db2.gz DMJLVQWIPNVOQS-UHFFFAOYSA-N 0 0 534.575 5.135 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000103780410 555476049 /nfs/dbraw/zinc/47/60/49/555476049.db2.gz MWHIEKOEQBUSSR-UAMLYEQYSA-N 0 0 606.616 5.404 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000103817968 555482662 /nfs/dbraw/zinc/48/26/62/555482662.db2.gz RXQTVSFAUMQIKM-HRIDGTDGSA-N 0 0 576.590 5.395 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000103826911 555482946 /nfs/dbraw/zinc/48/29/46/555482946.db2.gz GKXVVOYFJMASJE-PKYOQBLNSA-N 0 0 617.680 5.072 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103841566 571362273 /nfs/dbraw/zinc/36/22/73/571362273.db2.gz HPCBQBBNCRNBJX-HRIDGTDGSA-N 0 0 549.583 5.626 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Cl)c(=O)n32)cc1 ZINC000103865444 571367969 /nfs/dbraw/zinc/36/79/69/571367969.db2.gz IQRRJIDNOLGMSR-FQKMCRJQSA-N 0 0 589.073 5.061 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103891613 571368687 /nfs/dbraw/zinc/36/86/87/571368687.db2.gz OPPXDQAAOSJDKC-NBQDTTAVSA-N 0 0 591.645 5.504 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)C(C)(C)C)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000103933914 571370364 /nfs/dbraw/zinc/37/03/64/571370364.db2.gz RWXPLUFVJURCPL-UHFFFAOYSA-N 0 0 542.080 5.432 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1c3ccccc3C=C[C@@H]21 ZINC000103973492 571370556 /nfs/dbraw/zinc/37/05/56/571370556.db2.gz YZABQCDDSCIHOQ-LYBRAKKWSA-N 0 0 585.616 5.626 40 5 KKBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000104086860 571373277 /nfs/dbraw/zinc/37/32/77/571373277.db2.gz VJACAGBAYMPULG-UHFFFAOYSA-N 0 0 564.042 5.072 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222581122 571373363 /nfs/dbraw/zinc/37/33/63/571373363.db2.gz PNCRHHVRXDVZMX-VWLOTQADSA-N 0 0 665.596 5.746 40 5 KKBBRN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000104099619 571373808 /nfs/dbraw/zinc/37/38/08/571373808.db2.gz DHTOWMWEWYDYSQ-UHFFFAOYSA-N 0 0 518.765 7.830 40 5 KKBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)CC2)cc1 ZINC000104099549 571373880 /nfs/dbraw/zinc/37/38/80/571373880.db2.gz JTWOKAHCDWFWAX-UHFFFAOYSA-N 0 0 535.025 5.986 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222633938 571378515 /nfs/dbraw/zinc/37/85/15/571378515.db2.gz IOZBAIYVQXMTLB-SANMLTNESA-N 0 0 508.018 5.203 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654849 571383424 /nfs/dbraw/zinc/38/34/24/571383424.db2.gz QIQJBYDLGYWUJC-UAMLYEQYSA-N 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0 0 596.086 5.342 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000105500040 571406327 /nfs/dbraw/zinc/40/63/27/571406327.db2.gz GTGSBQHQDINRNB-MXLMUYMQSA-N 0 0 623.687 5.745 40 5 KKBBRN CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@H]2C)cc1 ZINC000105513464 571407060 /nfs/dbraw/zinc/40/70/60/571407060.db2.gz SQGFWLDELGHQIA-YKGWIAGDSA-N 0 0 624.162 9.243 40 5 KKBBRN CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1-c1ccccc1 ZINC000105630315 571407946 /nfs/dbraw/zinc/40/79/46/571407946.db2.gz LFJKDXPJPKXYHV-WJOKGBTCSA-N 0 0 566.570 7.213 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222875503 571408535 /nfs/dbraw/zinc/40/85/35/571408535.db2.gz WKZCURRSMSFULR-SANMLTNESA-N 0 0 661.177 5.101 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000105820762 571408970 /nfs/dbraw/zinc/40/89/70/571408970.db2.gz GKJUBHPMBRPYQC-UHFFFAOYSA-N 0 0 531.590 5.838 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222888762 571409970 /nfs/dbraw/zinc/40/99/70/571409970.db2.gz PEDWJMJYCZVUTJ-HHHXNRCGSA-N 0 0 635.570 5.080 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222895144 571410737 /nfs/dbraw/zinc/41/07/37/571410737.db2.gz IEBOGTFENYZPFI-NDEPHWFRSA-N 0 0 649.597 5.388 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106379035 571412260 /nfs/dbraw/zinc/41/22/60/571412260.db2.gz PEMIBXJJYLEPQB-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(Cl)c1 ZINC000106591214 571413024 /nfs/dbraw/zinc/41/30/24/571413024.db2.gz COVOLFYCDYPVSC-UHFFFAOYSA-N 0 0 538.409 5.361 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106680504 571413370 /nfs/dbraw/zinc/41/33/70/571413370.db2.gz PKBDQXCXVZFBPI-HAHDFKILSA-N 0 0 504.520 5.449 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106700771 571414526 /nfs/dbraw/zinc/41/45/26/571414526.db2.gz ZHHKYSVWIKSIKD-FBHDLOMBSA-N 0 0 551.860 7.943 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106700692 571414553 /nfs/dbraw/zinc/41/45/53/571414553.db2.gz DFZDHMZQNUSTRF-JJFYIABZSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000106701721 571414615 /nfs/dbraw/zinc/41/46/15/571414615.db2.gz YALYASYPIGTBHK-FMCGGJTJSA-N 0 0 544.507 6.959 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000106709005 571415039 /nfs/dbraw/zinc/41/50/39/571415039.db2.gz SYGCSXMYYGMPJV-QRVIBDJDSA-N 0 0 524.576 5.216 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106716439 571415638 /nfs/dbraw/zinc/41/56/38/571415638.db2.gz LLSAWZHYTCYPKB-UUYOSTAYSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106719430 571415679 /nfs/dbraw/zinc/41/56/79/571415679.db2.gz DUGRNPWFWCWNER-KSEXSDGBSA-N 0 0 588.425 6.164 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106718112 571415753 /nfs/dbraw/zinc/41/57/53/571415753.db2.gz AWQBTPGLKKUROV-JJFYIABZSA-N 0 0 594.270 7.480 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106725233 571416205 /nfs/dbraw/zinc/41/62/05/571416205.db2.gz JNBMJZHLHWNBOC-UUYOSTAYSA-N 0 0 589.445 5.670 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Br)cc1 ZINC000106727402 571416455 /nfs/dbraw/zinc/41/64/55/571416455.db2.gz QXKUIYJMYWAENV-QRVIBDJDSA-N 0 0 555.406 6.181 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106726792 571416464 /nfs/dbraw/zinc/41/64/64/571416464.db2.gz IXPSAGKVBCVJDW-MTJSOVHGSA-N 0 0 527.967 6.544 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106732303 571416558 /nfs/dbraw/zinc/41/65/58/571416558.db2.gz DFHBIDICIILCPM-BKUYFWCQSA-N 0 0 605.444 5.370 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222952369 571416651 /nfs/dbraw/zinc/41/66/51/571416651.db2.gz OWZPWEKYLQTCOH-IBGZPJMESA-N 0 0 621.543 5.429 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222953392 571416721 /nfs/dbraw/zinc/41/67/21/571416721.db2.gz SZPDATBJVFNJIM-MHZLTWQESA-N 0 0 588.557 6.547 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106734084 571416780 /nfs/dbraw/zinc/41/67/80/571416780.db2.gz UPHGYOAOQOAQLV-YVNNLAQVSA-N 0 0 577.815 6.965 40 5 KKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106737099 571416865 /nfs/dbraw/zinc/41/68/65/571416865.db2.gz PURWVAHZOXUWGM-UYOCIXKTSA-N 0 0 561.424 7.018 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000106739383 571417017 /nfs/dbraw/zinc/41/70/17/571417017.db2.gz VEVNMGDLRISZBC-QRVIBDJDSA-N 0 0 602.406 6.024 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106739539 571417127 /nfs/dbraw/zinc/41/71/27/571417127.db2.gz AGRICMVYWFXRLO-FMCGGJTJSA-N 0 0 566.504 5.839 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000106739641 571417205 /nfs/dbraw/zinc/41/72/05/571417205.db2.gz UNHILLJMGPBCQL-ONUIUJJFSA-N 0 0 534.590 5.996 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222958398 571417210 /nfs/dbraw/zinc/41/72/10/571417210.db2.gz VNTLULGQKXJSOF-YTTGMZPUSA-N 0 0 697.641 6.509 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000106743477 571417392 /nfs/dbraw/zinc/41/73/92/571417392.db2.gz DMGFPMCWYYTLPV-QRVIBDJDSA-N 0 0 555.406 6.181 40 5 KKBBRN Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000106745464 571417430 /nfs/dbraw/zinc/41/74/30/571417430.db2.gz QKDAJBPZMUWUKJ-QFEZKATASA-N 0 0 501.539 6.282 40 5 KKBBRN COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O ZINC000106745653 571417432 /nfs/dbraw/zinc/41/74/32/571417432.db2.gz VSOKVLJFVSZWND-NSIKDUERSA-N 0 0 544.177 5.071 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCOc1ccccc1 ZINC000106766517 571418203 /nfs/dbraw/zinc/41/82/03/571418203.db2.gz YOPRHFASXMPUHY-HAHDFKILSA-N 0 0 555.406 6.052 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(Oc3ccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000107352829 571420001 /nfs/dbraw/zinc/42/00/01/571420001.db2.gz WDFNWRNGNDQMTO-UHFFFAOYSA-N 0 0 566.529 7.414 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000107641560 571420682 /nfs/dbraw/zinc/42/06/82/571420682.db2.gz AQYMUDYUSXNLRP-UHFFFAOYSA-N 0 0 587.279 5.802 40 5 KKBBRN O=C(NC(=S)Nc1ccc(Br)cc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107916307 571421664 /nfs/dbraw/zinc/42/16/64/571421664.db2.gz UAJCGZIDQBWGTD-UHFFFAOYSA-N 0 0 572.178 5.349 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000108186429 571422601 /nfs/dbraw/zinc/42/26/01/571422601.db2.gz HZAQTPGNBIBJBE-FUFNRSNVSA-N 0 0 571.655 5.398 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000108282540 571423109 /nfs/dbraw/zinc/42/31/09/571423109.db2.gz CXTCJZZVJSGEGO-KEPJHFNWSA-N 0 0 617.680 5.071 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000108541389 571426155 /nfs/dbraw/zinc/42/61/55/571426155.db2.gz HZGLEXWOXFTISL-ASZNLBCTSA-N 0 0 583.507 5.867 40 5 KKBBRN O=C(Nc1ccc(-c2nnc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)o2)cc1)c1ccccc1[N+](=O)[O-] ZINC000108662470 571426426 /nfs/dbraw/zinc/42/64/26/571426426.db2.gz DYFJRBDWGPFQMS-UHFFFAOYSA-N 0 0 550.487 5.725 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=O)CN(c4ccc([N+](=O)[O-])cc4)S(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000108887206 571427357 /nfs/dbraw/zinc/42/73/57/571427357.db2.gz FULNYGKXNQLXPJ-UHFFFAOYSA-N 0 0 558.641 6.014 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223070508 571427934 /nfs/dbraw/zinc/42/79/34/571427934.db2.gz NCCDHCQEMCKCAY-HSZRJFAPSA-N 0 0 645.178 5.403 40 5 KKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000109569360 571429541 /nfs/dbraw/zinc/42/95/41/571429541.db2.gz MUZZJZAUALQRJR-UHFFFAOYSA-N 0 0 528.546 6.189 40 5 KKBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)c1cccc(Cl)c1 ZINC000109951724 571430346 /nfs/dbraw/zinc/43/03/46/571430346.db2.gz JSLPQZZQKPGGBH-UHFFFAOYSA-N 0 0 533.791 5.390 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 ZINC000109958705 571430484 /nfs/dbraw/zinc/43/04/84/571430484.db2.gz RVTLNSCCFAPNRB-CQSZACIVSA-N 0 0 553.438 6.806 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000111465499 571432451 /nfs/dbraw/zinc/43/24/51/571432451.db2.gz IVGZJZPDVXIOPQ-GARKAJJMSA-N 0 0 617.683 5.423 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000111469478 571432759 /nfs/dbraw/zinc/43/27/59/571432759.db2.gz CPEVBIUOHJARMX-GBIJUZDQSA-N 0 0 595.608 5.243 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)c1 ZINC000111468523 571432764 /nfs/dbraw/zinc/43/27/64/571432764.db2.gz HUJCAOZJPBOZQT-UNDLXJOSSA-N 0 0 622.659 5.059 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N1 ZINC000111470114 571433019 /nfs/dbraw/zinc/43/30/19/571433019.db2.gz LKTDXDPDBTVQPP-HDFSHUSISA-N 0 0 585.682 5.870 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000111470844 571433283 /nfs/dbraw/zinc/43/32/83/571433283.db2.gz TWWGYTOEHFDPII-ZHGFHMGHSA-N 0 0 623.712 5.826 40 5 KKBBRN O=C1N/C(=C/c2ccc(-c3ccc(Br)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000111506805 571433481 /nfs/dbraw/zinc/43/34/81/571433481.db2.gz YSZMWBHJUQCLCG-LICLKQGHSA-N 0 0 502.708 5.364 40 5 KKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231048 571434168 /nfs/dbraw/zinc/43/41/68/571434168.db2.gz OHFUKJRLYDSVHE-UHFFFAOYSA-N 0 0 533.635 5.143 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231638 571434247 /nfs/dbraw/zinc/43/42/47/571434247.db2.gz ZSVVDUOKKAUCKA-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 ZINC000112231883 571434290 /nfs/dbraw/zinc/43/42/90/571434290.db2.gz YTNULIZPSAXHSI-UHFFFAOYSA-N 0 0 542.617 6.531 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231954 571434316 /nfs/dbraw/zinc/43/43/16/571434316.db2.gz LVRYTVZOGFTQEJ-UHFFFAOYSA-N 0 0 537.985 5.020 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000112233576 571434518 /nfs/dbraw/zinc/43/45/18/571434518.db2.gz VJSGIIBYYDBLTI-XBXARRHUSA-N 0 0 519.391 6.298 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000112237778 571434813 /nfs/dbraw/zinc/43/48/13/571434813.db2.gz CYKPDHDNVWMAQX-UHFFFAOYSA-N 0 0 562.431 5.808 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112239930 571435079 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ZINC000223199350 571443845 /nfs/dbraw/zinc/44/38/45/571443845.db2.gz ZVOPJNQTIPEKQO-XIFFEERXSA-N 0 0 658.777 5.192 40 5 KKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916999 571444080 /nfs/dbraw/zinc/44/40/80/571444080.db2.gz HWPKACQLFFCDBD-RNBYMPBRSA-N 0 0 616.930 11.959 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223224548 571447433 /nfs/dbraw/zinc/44/74/33/571447433.db2.gz QFDUYTQOERNWDD-FCHUYYIVSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223228346 571447752 /nfs/dbraw/zinc/44/77/52/571447752.db2.gz XBYPZGLOCCNTEM-NHCUHLMSSA-N 0 0 710.047 5.855 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223262369 571452193 /nfs/dbraw/zinc/45/21/93/571452193.db2.gz WIASPXCCUCCSSL-WXVAWEFUSA-N 0 0 519.667 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150396033 571476284 /nfs/dbraw/zinc/47/62/84/571476284.db2.gz XVHCLDUCGYWOBY-JBVGNYNVSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150396385 571476516 /nfs/dbraw/zinc/47/65/16/571476516.db2.gz HUTDPUWNWIQMTA-SLDXWZKBSA-N 0 0 688.589 7.534 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150396651 571476556 /nfs/dbraw/zinc/47/65/56/571476556.db2.gz LKCWYMLGKPOBIR-KUSDHMTMSA-N 0 0 637.670 5.121 40 5 KKBBRN O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000150398108 571477114 /nfs/dbraw/zinc/47/71/14/571477114.db2.gz MGBUMLPQKDLZHY-UHFFFAOYSA-N 0 0 677.400 6.360 40 5 KKBBRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000150398437 571477293 /nfs/dbraw/zinc/47/72/93/571477293.db2.gz QIWXZMFJNQFIDL-UHFFFAOYSA-N 0 0 618.307 6.485 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150413397 571484650 /nfs/dbraw/zinc/48/46/50/571484650.db2.gz BLYWYGTWAZMLQZ-JVWAILMASA-N 0 0 666.493 7.567 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223490014 571485859 /nfs/dbraw/zinc/48/58/59/571485859.db2.gz CTYBCVXPLUEHNF-IBVKSMDESA-N 0 0 508.018 5.346 40 5 KKBBRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ncc(Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000150422231 571488348 /nfs/dbraw/zinc/48/83/48/571488348.db2.gz ODROKCQVMKNSAY-UHFFFAOYSA-N 0 0 624.169 6.666 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223505410 571488710 /nfs/dbraw/zinc/48/87/10/571488710.db2.gz NBMKTQZBBQHNFL-SANMLTNESA-N 0 0 635.570 5.819 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223508451 571489414 /nfs/dbraw/zinc/48/94/14/571489414.db2.gz DJDOJQCRQUSQHJ-PMERELPUSA-N 0 0 679.593 5.329 40 5 KKBBRN CCOC(=O)c1sc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150441529 571498509 /nfs/dbraw/zinc/49/85/09/571498509.db2.gz FXZOKGRNFKHJRE-PKTNWEFCSA-N 0 0 715.693 5.207 40 5 KKBBRN CCOC(=O)c1sc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)c(C(=O)OC)c1C ZINC000150441539 571498561 /nfs/dbraw/zinc/49/85/61/571498561.db2.gz FXZOKGRNFKHJRE-FCEKVYKBSA-N 0 0 715.693 5.207 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223545059 571498723 /nfs/dbraw/zinc/49/87/23/571498723.db2.gz KASWPTPXGXFBDJ-IDISGSTGSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223549155 571499421 /nfs/dbraw/zinc/49/94/21/571499421.db2.gz PVCZAZHOIAGPRO-SANMLTNESA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223579628 571506648 /nfs/dbraw/zinc/50/66/48/571506648.db2.gz SKANTJMPMRBRTE-LJQANCHMSA-N 0 0 526.417 5.011 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224251989 571506830 /nfs/dbraw/zinc/50/68/30/571506830.db2.gz BZWLZVNXPDWFPV-WJOKGBTCSA-N 0 0 649.169 5.610 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150465009 571507639 /nfs/dbraw/zinc/50/76/39/571507639.db2.gz IOGSGPMAEVSUEL-UKWGHVSLSA-N 0 0 703.243 8.076 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223588029 571508543 /nfs/dbraw/zinc/50/85/43/571508543.db2.gz UZEVVNSKPRJPED-FNZWTVRRSA-N 0 0 554.043 5.190 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224260247 571508713 /nfs/dbraw/zinc/50/87/13/571508713.db2.gz STDNHDDMGLHWPH-HHHXNRCGSA-N 0 0 533.694 5.691 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224263895 571509433 /nfs/dbraw/zinc/50/94/33/571509433.db2.gz JBMXUASAQURLIC-NDEPHWFRSA-N 0 0 671.216 5.935 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223603024 571511747 /nfs/dbraw/zinc/51/17/47/571511747.db2.gz POMKOXPBVOIZKA-FNZWTVRRSA-N 0 0 508.018 5.346 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 ZINC000224284074 571513226 /nfs/dbraw/zinc/51/32/26/571513226.db2.gz DKPZDCDIBCDEIQ-FTJBHMTQSA-N 0 0 500.580 6.052 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224291068 571514537 /nfs/dbraw/zinc/51/45/37/571514537.db2.gz WKPZRZUZIAPKNO-NDEPHWFRSA-N 0 0 613.136 5.310 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223619990 571515353 /nfs/dbraw/zinc/51/53/53/571515353.db2.gz NUELHNIUVSEGSR-OOXUFLSTSA-N 0 0 707.249 6.315 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224297173 571516160 /nfs/dbraw/zinc/51/61/60/571516160.db2.gz WZYCZKWGBHORGB-NRFANRHFSA-N 0 0 649.141 5.089 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150492577 571517226 /nfs/dbraw/zinc/51/72/26/571517226.db2.gz OYNDZYVLFLHDJA-CWPZDHDOSA-N 0 0 656.072 5.486 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150509171 571519693 /nfs/dbraw/zinc/51/96/93/571519693.db2.gz IBNIDBBHSAUJDB-PGUFJCEWSA-N 0 0 648.741 7.469 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224327413 571522609 /nfs/dbraw/zinc/52/26/09/571522609.db2.gz YCQHOOBQGYVUEP-QHCPKHFHSA-N 0 0 504.052 5.348 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224333034 571523797 /nfs/dbraw/zinc/52/37/97/571523797.db2.gz QLTLDVYJYRIWTN-XMMPIXPASA-N 0 0 651.569 5.357 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224337812 571525142 /nfs/dbraw/zinc/52/51/42/571525142.db2.gz OJOVLTXWLRNXIR-WJOKGBTCSA-N 0 0 632.714 5.096 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223687300 571526926 /nfs/dbraw/zinc/52/69/26/571526926.db2.gz OFWKHQABULGAFV-RUZDIDTESA-N 0 0 560.503 5.911 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224350881 571528193 /nfs/dbraw/zinc/52/81/93/571528193.db2.gz SSSOJSQYSNDWDO-RUZDIDTESA-N 0 0 554.043 5.190 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223693572 571528362 /nfs/dbraw/zinc/52/83/62/571528362.db2.gz JPYQKZRIDRVQCY-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224362729 571530253 /nfs/dbraw/zinc/53/02/53/571530253.db2.gz PKYKUDJXUILUGO-WJOKGBTCSA-N 0 0 663.196 5.998 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000161940813 571531538 /nfs/dbraw/zinc/53/15/38/571531538.db2.gz FGIHCPPRJHIZAO-UHFFFAOYSA-N 0 0 636.347 6.922 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000161986115 571531957 /nfs/dbraw/zinc/53/19/57/571531957.db2.gz CCEFLUDLMOYNGK-UHFFFAOYSA-N 0 0 652.001 6.657 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000163195822 571532654 /nfs/dbraw/zinc/53/26/54/571532654.db2.gz GWNGZSYMGCAOHM-FVUNBJOLSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000163195683 571532719 /nfs/dbraw/zinc/53/27/19/571532719.db2.gz APYLWRIVRCDCCD-KOHOJCOXSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000163197557 571532730 /nfs/dbraw/zinc/53/27/30/571532730.db2.gz QLOBFEUKRKBPEH-AHDXEZHLSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163197168 571532765 /nfs/dbraw/zinc/53/27/65/571532765.db2.gz HTWSKWBIMVTQRI-WKIZKNSPSA-N 0 0 631.710 5.823 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163214214 571533050 /nfs/dbraw/zinc/53/30/50/571533050.db2.gz NDPAETDSDVSDIA-KEPJHFNWSA-N 0 0 644.934 6.903 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163213035 571533082 /nfs/dbraw/zinc/53/30/82/571533082.db2.gz XVRNPQLUUQRKJA-VPHSIRQSSA-N 0 0 689.385 7.012 40 5 KKBBRN O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163224111 571533474 /nfs/dbraw/zinc/53/34/74/571533474.db2.gz MCPATJVLXSWISP-GSTVVXAASA-N 0 0 650.554 6.568 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163226913 571533615 /nfs/dbraw/zinc/53/36/15/571533615.db2.gz BSLJILFSUYVXTG-LXYLXTGBSA-N 0 0 652.523 5.354 40 5 KKBBRN O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163233047 571533755 /nfs/dbraw/zinc/53/37/55/571533755.db2.gz IQEIFXOXAQOGHS-KHVZVQPESA-N 0 0 761.701 9.114 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163240378 571534031 /nfs/dbraw/zinc/53/40/31/571534031.db2.gz NETCBMOUNNPDFR-ZMTYCLHQSA-N 0 0 808.346 8.093 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163254290 571534163 /nfs/dbraw/zinc/53/41/63/571534163.db2.gz MLQXPJWOULTMMF-NPNXEGEYSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163255003 571534226 /nfs/dbraw/zinc/53/42/26/571534226.db2.gz GQEDJLCLWZTQIK-AHDXEZHLSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163267728 571534368 /nfs/dbraw/zinc/53/43/68/571534368.db2.gz PCGKHOWRASPINR-OIUASMPBSA-N 0 0 670.541 6.267 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163266689 571534474 /nfs/dbraw/zinc/53/44/74/571534474.db2.gz XJIFNQMSAHMTCO-SELCLYCASA-N 0 0 626.090 6.158 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223731589 571534510 /nfs/dbraw/zinc/53/45/10/571534510.db2.gz DKXPZBKYRBKOHJ-UVMFRMCBSA-N 0 0 690.794 5.801 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000163450878 571535521 /nfs/dbraw/zinc/53/55/21/571535521.db2.gz SGWHZYSTXNHTGI-ISZRBDKASA-N 0 0 704.643 6.952 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000163450998 571535536 /nfs/dbraw/zinc/53/55/36/571535536.db2.gz SGWHZYSTXNHTGI-HZHHUVPKSA-N 0 0 704.643 6.952 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000163453783 571535537 /nfs/dbraw/zinc/53/55/37/571535537.db2.gz RZSZITODUJXZSK-DDIUQFJASA-N 0 0 656.717 6.311 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000163457095 571535649 /nfs/dbraw/zinc/53/56/49/571535649.db2.gz YEPGQRIQNSCSAQ-HTNWYMAZSA-N 0 0 669.800 6.588 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000163457800 571535652 /nfs/dbraw/zinc/53/56/52/571535652.db2.gz JDNBTNDDSNPRAX-FVUNBJOLSA-N 0 0 686.743 6.319 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163620654 571538014 /nfs/dbraw/zinc/53/80/14/571538014.db2.gz ZWLLBTWJFLBSCZ-MFUBYVTQSA-N 0 0 848.819 6.848 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163623557 571538079 /nfs/dbraw/zinc/53/80/79/571538079.db2.gz FMIRPFPGHMLPRB-OLROSQPISA-N 0 0 674.879 5.452 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(C(F)(F)F)N=4)cc2[N+](=O)[O-])cc1 ZINC000163626867 571538173 /nfs/dbraw/zinc/53/81/73/571538173.db2.gz PRESDCLZYVBUOB-RISWYLRJSA-N 0 0 794.986 6.421 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224402383 571538368 /nfs/dbraw/zinc/53/83/68/571538368.db2.gz RDHABWCCCSPNRV-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163645543 571539037 /nfs/dbraw/zinc/53/90/37/571539037.db2.gz JWJJHWQTJAIBDL-LMSRTUJASA-N 0 0 813.976 6.485 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163662665 571539621 /nfs/dbraw/zinc/53/96/21/571539621.db2.gz JVDHXEKFPYPIFN-VVNKCDPRSA-N 0 0 799.949 6.095 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000163665585 571539677 /nfs/dbraw/zinc/53/96/77/571539677.db2.gz AAFUKNNEARYZQF-VIYYDIFJSA-N 0 0 755.556 5.195 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000163691847 571540459 /nfs/dbraw/zinc/54/04/59/571540459.db2.gz ZLIBGNIBQGCLRX-PRLWALMFSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163708835 571541127 /nfs/dbraw/zinc/54/11/27/571541127.db2.gz NYBCPAPAJVLOME-PKYOQBLNSA-N 0 0 631.732 5.016 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223770242 571541259 /nfs/dbraw/zinc/54/12/59/571541259.db2.gz FQCRAUREHADYQE-IBVKSMDESA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163739231 571542379 /nfs/dbraw/zinc/54/23/79/571542379.db2.gz DMWBLBLMQXLLLG-MXLMUYMQSA-N 0 0 666.668 5.569 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@@H]2C)cc1 ZINC000163941842 571543616 /nfs/dbraw/zinc/54/36/16/571543616.db2.gz FHOCGSYTEDADCO-JHOBJCJYSA-N 0 0 638.189 9.469 40 5 KKBBRN C[C@@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000163941058 571543672 /nfs/dbraw/zinc/54/36/72/571543672.db2.gz JYVXLXLGVVOETR-NGOKVRLYSA-N 0 0 665.127 7.272 40 5 KKBBRN C[C@@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000163941282 571543679 /nfs/dbraw/zinc/54/36/79/571543679.db2.gz JYVXLXLGVVOETR-PIIWDFAUSA-N 0 0 665.127 7.272 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1)NCCOc1ccc(Cl)cc1 ZINC000163953261 571543881 /nfs/dbraw/zinc/54/38/81/571543881.db2.gz OZABIFSWGAVBLJ-UHFFFAOYSA-N 0 0 646.197 6.486 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2s1 ZINC000164036130 571544099 /nfs/dbraw/zinc/54/40/99/571544099.db2.gz XURIAPFDJFXESA-UHFFFAOYSA-N 0 0 726.906 8.693 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224431323 571544308 /nfs/dbraw/zinc/54/43/08/571544308.db2.gz POUZKIDOQCLPSH-MHZLTWQESA-N 0 0 726.079 6.934 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)sc2=N1 ZINC000164186804 571544567 /nfs/dbraw/zinc/54/45/67/571544567.db2.gz ZYKMPHRTJINMBU-KAEGSSFASA-N 0 0 674.688 5.204 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000164190379 571544864 /nfs/dbraw/zinc/54/48/64/571544864.db2.gz UHKRRYAZWPPDRR-VSQRRKBNSA-N 0 0 687.771 5.482 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000164207138 571544984 /nfs/dbraw/zinc/54/49/84/571544984.db2.gz MBRVDSBYFABGCW-INJWXVQMSA-N 0 0 672.543 6.071 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164516012 571549019 /nfs/dbraw/zinc/54/90/19/571549019.db2.gz FSMRFNJOIABXCU-KMCFWPMWSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1 ZINC000164518825 571549065 /nfs/dbraw/zinc/54/90/65/571549065.db2.gz AJMOPVVMGNWFKR-QZEHYWIXSA-N 0 0 728.830 7.969 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164540974 571549611 /nfs/dbraw/zinc/54/96/11/571549611.db2.gz OEJADULQMMSENQ-JBVGNYNVSA-N 0 0 677.735 5.440 40 5 KKBBRN O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)S[C@@]23c2ccccc2C(c2cccc4ccccc42)=NN3c2ccccc2)c([N+](=O)[O-])c1 ZINC000164774116 571551121 /nfs/dbraw/zinc/55/11/21/571551121.db2.gz YPCSXULFMICNDR-JGCGQSQUSA-N 0 0 640.603 8.168 40 5 KKBBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 ZINC000166333503 571552521 /nfs/dbraw/zinc/55/25/21/571552521.db2.gz RMCCFSCVHAMZJR-HSZRJFAPSA-N 0 0 579.708 5.322 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223817363 571554429 /nfs/dbraw/zinc/55/44/29/571554429.db2.gz VKPHAQOMNVUKDL-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224492555 571559326 /nfs/dbraw/zinc/55/93/26/571559326.db2.gz WCCVZCNLERXOMG-HSZRJFAPSA-N 0 0 538.497 6.001 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224492843 571559352 /nfs/dbraw/zinc/55/93/52/571559352.db2.gz IHDGNLYIODCMLR-RUZDIDTESA-N 0 0 552.469 5.455 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224496165 571560184 /nfs/dbraw/zinc/56/01/84/571560184.db2.gz SSFHHVSVUKLTSZ-WJOKGBTCSA-N 0 0 707.647 6.107 40 5 KKBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223857535 571562738 /nfs/dbraw/zinc/56/27/38/571562738.db2.gz ULNRPUIKHGWZKA-SFHVURJKSA-N 0 0 671.987 5.621 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223862526 571563848 /nfs/dbraw/zinc/56/38/48/571563848.db2.gz QAHDVQYMKKMWHI-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224513391 571563986 /nfs/dbraw/zinc/56/39/86/571563986.db2.gz FPTRKUTUUSPBMI-RPWUZVMVSA-N 0 0 551.422 6.198 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224516391 571564518 /nfs/dbraw/zinc/56/45/18/571564518.db2.gz VBVSGKZTSKVNAX-RUZDIDTESA-N 0 0 598.494 5.300 40 5 KKBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197823946 571564983 /nfs/dbraw/zinc/56/49/83/571564983.db2.gz ABFZKAVEWJKOSC-UHFFFAOYSA-N 0 0 669.059 5.902 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197831151 571565665 /nfs/dbraw/zinc/56/56/65/571565665.db2.gz LHMMMLBZWYKJKF-UHFFFAOYSA-N 0 0 729.111 5.919 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198311547 571566951 /nfs/dbraw/zinc/56/69/51/571566951.db2.gz AJRFZHUXJADFGT-UHFFFAOYSA-N 0 0 675.141 5.209 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223883061 571567526 /nfs/dbraw/zinc/56/75/26/571567526.db2.gz UDNHVUZHBPBTDG-LYZGTLIUSA-N 0 0 649.597 5.531 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224537463 571569248 /nfs/dbraw/zinc/56/92/48/571569248.db2.gz IMWNSIUFOSRSTI-RUZDIDTESA-N 0 0 528.436 5.610 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224540689 571570139 /nfs/dbraw/zinc/57/01/39/571570139.db2.gz GYTIFPQHVWVWPM-MHZLTWQESA-N 0 0 649.597 5.531 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000205701944 571570215 /nfs/dbraw/zinc/57/02/15/571570215.db2.gz KOBTWMRPVBKTFI-WSDLNYQXSA-N 0 0 634.302 6.944 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223896840 571570301 /nfs/dbraw/zinc/57/03/01/571570301.db2.gz NJNFDZHJICAMSF-SIBVEZHUSA-N 0 0 588.488 5.844 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224542005 571570392 /nfs/dbraw/zinc/57/03/92/571570392.db2.gz KOKFOCLUSDBPPD-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000205734635 571570580 /nfs/dbraw/zinc/57/05/80/571570580.db2.gz CVLKPOXGPGKRHP-GIJQJNRQSA-N 0 0 614.268 5.687 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCCCC1 ZINC000205799210 571571282 /nfs/dbraw/zinc/57/12/82/571571282.db2.gz MWWBEHJMWDHBCT-RGVLZGJSSA-N 0 0 614.396 6.217 40 5 KKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000224549211 571572136 /nfs/dbraw/zinc/57/21/36/571572136.db2.gz PWNCRLIAJMWJOF-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224552162 571572858 /nfs/dbraw/zinc/57/28/58/571572858.db2.gz FDIMRONPBYJRCW-MGBGTMOVSA-N 0 0 727.667 6.580 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223912916 571573893 /nfs/dbraw/zinc/57/38/93/571573893.db2.gz PFUKQJBHZUIHAV-SIBVEZHUSA-N 0 0 542.463 5.999 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208360681 571573930 /nfs/dbraw/zinc/57/39/30/571573930.db2.gz ZTBLFMSNEGPBIG-CCLVUABDSA-N 0 0 625.659 5.137 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211052101 571576125 /nfs/dbraw/zinc/57/61/25/571576125.db2.gz YEWOKBQNKQRATD-NLRVBDNBSA-N 0 0 533.993 6.228 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224568730 571576559 /nfs/dbraw/zinc/57/65/59/571576559.db2.gz UVEZIONLHJIHER-YTTGMZPUSA-N 0 0 776.139 7.622 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl ZINC000214075375 571577457 /nfs/dbraw/zinc/57/74/57/571577457.db2.gz IWJBPUAAWAFTNY-SRZZPIQSSA-N 0 0 534.899 7.296 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl ZINC000214110433 571577578 /nfs/dbraw/zinc/57/75/78/571577578.db2.gz CEGLGUMYAYHTOM-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000214146914 571577910 /nfs/dbraw/zinc/57/79/10/571577910.db2.gz HELABXDPBZWICP-SRZZPIQSSA-N 0 0 511.899 6.185 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214233008 571578058 /nfs/dbraw/zinc/57/80/58/571578058.db2.gz AKKJCCCLFKMCPB-FOKLQQMPSA-N 0 0 573.396 6.321 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F ZINC000214358255 571578766 /nfs/dbraw/zinc/57/87/66/571578766.db2.gz LLTAFMORMMGPSD-SRZZPIQSSA-N 0 0 518.444 6.782 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214389616 571578944 /nfs/dbraw/zinc/57/89/44/571578944.db2.gz MVICNLCQKZQNTK-UFFVCSGVSA-N 0 0 503.363 7.015 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214420751 571579085 /nfs/dbraw/zinc/57/90/85/571579085.db2.gz NXVQMUGPHXGALW-WYMPLXKRSA-N 0 0 559.427 7.116 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214418996 571579101 /nfs/dbraw/zinc/57/91/01/571579101.db2.gz YKGXIKVJTMDWHW-ZVBGSRNCSA-N 0 0 576.370 6.847 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214524584 571579550 /nfs/dbraw/zinc/57/95/50/571579550.db2.gz JUVDRNRKOOGDCQ-ZVHZXABRSA-N 0 0 583.460 6.880 40 5 KKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000214639837 571579890 /nfs/dbraw/zinc/57/98/90/571579890.db2.gz KYFDPSQGYXJEOK-WSDLNYQXSA-N 0 0 514.481 6.951 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214715870 571580746 /nfs/dbraw/zinc/58/07/46/571580746.db2.gz FXHWBCJHJDRKCC-DJKKODMXSA-N 0 0 554.205 7.161 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214805003 571581079 /nfs/dbraw/zinc/58/10/79/571581079.db2.gz PSENBJGZAAYZIE-FOKLQQMPSA-N 0 0 590.397 7.237 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214822866 571581274 /nfs/dbraw/zinc/58/12/74/571581274.db2.gz WZSLQVGOHVUMDO-UFFVCSGVSA-N 0 0 569.344 7.949 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214891270 571581719 /nfs/dbraw/zinc/58/17/19/571581719.db2.gz UBRHAAXFAKCGMP-WYMPLXKRSA-N 0 0 521.957 6.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000214982854 571582223 /nfs/dbraw/zinc/58/22/23/571582223.db2.gz SMIPRGPCMYBIIL-YDZHTSKRSA-N 0 0 650.878 7.067 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1 ZINC000215002059 571582313 /nfs/dbraw/zinc/58/23/13/571582313.db2.gz HITMJZQBBNCOTR-LPYMAVHISA-N 0 0 555.406 6.181 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl ZINC000215104075 571583120 /nfs/dbraw/zinc/58/31/20/571583120.db2.gz GQZTYBBAHWRMOA-UFFVCSGVSA-N 0 0 552.889 7.435 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215105141 571583139 /nfs/dbraw/zinc/58/31/39/571583139.db2.gz GOKADUOFHFJRCV-UFFVCSGVSA-N 0 0 552.889 7.435 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000223957250 571583453 /nfs/dbraw/zinc/58/34/53/571583453.db2.gz XDSAIFGEHYZVHK-SXOMAYOGSA-N 0 0 527.606 5.264 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 ZINC000215192476 571583626 /nfs/dbraw/zinc/58/36/26/571583626.db2.gz STVGGVLCTGEYDD-UFFVCSGVSA-N 0 0 705.246 8.010 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000215191100 571583643 /nfs/dbraw/zinc/58/36/43/571583643.db2.gz LJBLQSFQQLXDPJ-KIBLKLHPSA-N 0 0 568.991 6.191 40 5 KKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(I)cc1 ZINC000215211720 571583817 /nfs/dbraw/zinc/58/38/17/571583817.db2.gz GDZONKSZDQSGBM-OEAKJJBVSA-N 0 0 521.379 6.834 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223958659 571583982 /nfs/dbraw/zinc/58/39/82/571583982.db2.gz YWJOAZBUGRHKGB-FQEVSTJZSA-N 0 0 712.052 6.543 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(I)cc1 ZINC000215213638 571584007 /nfs/dbraw/zinc/58/40/07/571584007.db2.gz AEZRHOQZUKFZSM-UFFVCSGVSA-N 0 0 705.246 8.010 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 ZINC000215228036 571584025 /nfs/dbraw/zinc/58/40/25/571584025.db2.gz PBYHZJBSADMMCG-SRZZPIQSSA-N 0 0 603.350 6.136 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000215252519 571584255 /nfs/dbraw/zinc/58/42/55/571584255.db2.gz QMYLLYJIJVKAEA-LPYMAVHISA-N 0 0 510.955 6.072 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215240905 571584297 /nfs/dbraw/zinc/58/42/97/571584297.db2.gz XPBZJIMTHOPAAG-PGGKNCGUSA-N 0 0 554.964 5.801 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215279910 571584446 /nfs/dbraw/zinc/58/44/46/571584446.db2.gz HNDOUEQGLQLOAW-QPJQQBGISA-N 0 0 657.804 7.787 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215943473 571588764 /nfs/dbraw/zinc/58/87/64/571588764.db2.gz BXLAYSJAYYNHAF-PMERELPUSA-N 0 0 594.089 5.975 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 ZINC000223994117 571591233 /nfs/dbraw/zinc/59/12/33/571591233.db2.gz WODVRCSOQNNLPJ-IZZNHLLZSA-N 0 0 529.578 5.394 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224649421 571594780 /nfs/dbraw/zinc/59/47/80/571594780.db2.gz YIUVKFXAWDJFEP-HHHXNRCGSA-N 0 0 659.205 5.649 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224650139 571595093 /nfs/dbraw/zinc/59/50/93/571595093.db2.gz KMQBYRANHBZJND-URLMMPGGSA-N 0 0 534.597 7.219 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224653551 571596190 /nfs/dbraw/zinc/59/61/90/571596190.db2.gz ZBRCTXJOOASUEQ-KYJUHHDHSA-N 0 0 564.623 7.228 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000224656600 571596905 /nfs/dbraw/zinc/59/69/05/571596905.db2.gz CLCXURXJMHDUGY-FQLXRVMXSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224024688 571597221 /nfs/dbraw/zinc/59/72/21/571597221.db2.gz PWRDEAWFNBFYKV-MHZLTWQESA-N 0 0 519.667 5.303 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224033108 571598950 /nfs/dbraw/zinc/59/89/50/571598950.db2.gz LOMFAHMBGCAYQA-JWQCQUIFSA-N 0 0 516.535 5.164 40 5 KKBBRN COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OCc5ccccc5)CC4)c(C)c3oc(=O)c2c1 ZINC000217467007 571601578 /nfs/dbraw/zinc/60/15/78/571601578.db2.gz RPHWOTQBPAYVQB-GRGXKFILSA-N 0 0 529.589 5.901 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 ZINC000224687662 571604338 /nfs/dbraw/zinc/60/43/38/571604338.db2.gz BUVCVSMGJBHIIP-FIRIVFDPSA-N 0 0 578.650 7.536 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224066030 571605453 /nfs/dbraw/zinc/60/54/53/571605453.db2.gz ZHEBUOOAKWTQIO-FTJBHMTQSA-N 0 0 550.040 5.636 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224068485 571605937 /nfs/dbraw/zinc/60/59/37/571605937.db2.gz LVJPOUSZMHXZPR-HHHXNRCGSA-N 0 0 519.667 5.303 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224076486 571606863 /nfs/dbraw/zinc/60/68/63/571606863.db2.gz DGRLAAZLXIJZAG-FTJBHMTQSA-N 0 0 551.024 6.106 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224715795 571609167 /nfs/dbraw/zinc/60/91/67/571609167.db2.gz WHLWIYRUTBUBAX-LOYHVIPDSA-N 0 0 547.640 7.058 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224719400 571609962 /nfs/dbraw/zinc/60/99/62/571609962.db2.gz JFFITLMHZLXMQG-MUUNZHRXSA-N 0 0 645.178 5.340 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224725034 571611140 /nfs/dbraw/zinc/61/11/40/571611140.db2.gz CEABISQTGQRVFY-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224757670 571614395 /nfs/dbraw/zinc/61/43/95/571614395.db2.gz LXQSZKIKMDCQQC-SANMLTNESA-N 0 0 663.168 5.479 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224759195 571614536 /nfs/dbraw/zinc/61/45/36/571614536.db2.gz WCHNSMXHDLXXFP-KYJUHHDHSA-N 0 0 564.623 7.228 40 5 KKBBRN Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224760807 571614631 /nfs/dbraw/zinc/61/46/31/571614631.db2.gz WSRHYOVRMXKJAT-DHIUTWEWSA-N 0 0 504.662 6.688 40 5 KKBBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000224761018 571614684 /nfs/dbraw/zinc/61/46/84/571614684.db2.gz HWRWYWIVDLYUDT-RPWUZVMVSA-N 0 0 504.662 6.688 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 ZINC000224763728 571614956 /nfs/dbraw/zinc/61/49/56/571614956.db2.gz RIRLOZZJBNJBCO-JSOSNVBQSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 ZINC000224766230 571615135 /nfs/dbraw/zinc/61/51/35/571615135.db2.gz JAKTZBHNBFRLRF-KYJUHHDHSA-N 0 0 581.723 7.378 40 5 KKBBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C ZINC000224767742 571615219 /nfs/dbraw/zinc/61/52/19/571615219.db2.gz UPQALUGRDCZVHM-LOSJGSFVSA-N 0 0 501.637 5.965 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C ZINC000224769502 571615377 /nfs/dbraw/zinc/61/53/77/571615377.db2.gz RHDOUGZMIMVBPG-FTJBHMTQSA-N 0 0 515.664 6.273 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C ZINC000224769973 571615457 /nfs/dbraw/zinc/61/54/57/571615457.db2.gz LZNQUXJAIYGTPO-NSOVKSMOSA-N 0 0 543.718 7.317 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 ZINC000224770038 571615465 /nfs/dbraw/zinc/61/54/65/571615465.db2.gz ILTXKZWXHYPGRE-LOYHVIPDSA-N 0 0 569.756 7.852 40 5 KKBBRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224770747 571615530 /nfs/dbraw/zinc/61/55/30/571615530.db2.gz RQURTGYTLUYPKQ-WUFINQPMSA-N 0 0 559.717 6.383 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3)cc2)cc1 ZINC000224780632 571616396 /nfs/dbraw/zinc/61/63/96/571616396.db2.gz AHOSQXCOPVHMMC-WDYNHAJCSA-N 0 0 549.681 7.109 40 5 KKBBRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781283 571616454 /nfs/dbraw/zinc/61/64/54/571616454.db2.gz XVESCZRPHVNMAD-IOWSJCHKSA-N 0 0 592.750 7.175 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224783901 571616762 /nfs/dbraw/zinc/61/67/62/571616762.db2.gz GJOILVNRCHFORT-URLMMPGGSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224785443 571616942 /nfs/dbraw/zinc/61/69/42/571616942.db2.gz GCIRQFLLMPGTHW-VMPREFPWSA-N 0 0 617.177 8.716 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000224786091 571617035 /nfs/dbraw/zinc/61/70/35/571617035.db2.gz QEISKDDGZXMSOJ-WDYNHAJCSA-N 0 0 585.110 8.232 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224786485 571617039 /nfs/dbraw/zinc/61/70/39/571617039.db2.gz FRTNYONXHMTAIH-WDYNHAJCSA-N 0 0 595.662 7.486 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 ZINC000224787650 571617170 /nfs/dbraw/zinc/61/71/70/571617170.db2.gz DWXGDFGCVKLTFJ-WDYNHAJCSA-N 0 0 619.555 8.885 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 ZINC000224787942 571617179 /nfs/dbraw/zinc/61/71/79/571617179.db2.gz KQJVKRRBSKDQGQ-FQLXRVMXSA-N 0 0 619.555 8.885 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(C4CCCC4)c3)cc2)cc1 ZINC000224790476 571617381 /nfs/dbraw/zinc/61/73/81/571617381.db2.gz ZURKORDWSWBHID-WUFINQPMSA-N 0 0 541.702 7.235 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224795352 571617895 /nfs/dbraw/zinc/61/78/95/571617895.db2.gz HPAKDJHPMKPICN-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224825719 571620777 /nfs/dbraw/zinc/62/07/77/571620777.db2.gz MVFCBJQRTVRDOG-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000224825881 571620802 /nfs/dbraw/zinc/62/08/02/571620802.db2.gz QBRGUZMRCLPRLI-DQEYMECFSA-N 0 0 502.552 5.444 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224850056 571623003 /nfs/dbraw/zinc/62/30/03/571623003.db2.gz IPRIOVIZCRYRCP-KRWDZBQOSA-N 0 0 538.497 6.001 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224854211 571623440 /nfs/dbraw/zinc/62/34/40/571623440.db2.gz SDZUCMQTANSZDO-NRFANRHFSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224857593 571623864 /nfs/dbraw/zinc/62/38/64/571623864.db2.gz DEWLQMBFMIWRGV-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224888537 571627027 /nfs/dbraw/zinc/62/70/27/571627027.db2.gz KNWNFKFAFSTUDL-MHZLTWQESA-N 0 0 566.054 5.335 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224888577 571627052 /nfs/dbraw/zinc/62/70/52/571627052.db2.gz KNWNFKFAFSTUDL-HHHXNRCGSA-N 0 0 566.054 5.335 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224912844 571629216 /nfs/dbraw/zinc/62/92/16/571629216.db2.gz CGSMYSIHJPLJQM-HHHXNRCGSA-N 0 0 566.054 5.335 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224936268 571631725 /nfs/dbraw/zinc/63/17/25/571631725.db2.gz QLSRNEKYWTVJDR-HHHXNRCGSA-N 0 0 566.054 5.335 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224945042 571632559 /nfs/dbraw/zinc/63/25/59/571632559.db2.gz ICSMVGNVAXFJIS-XIFFEERXSA-N 0 0 658.752 5.628 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224951754 571633203 /nfs/dbraw/zinc/63/32/03/571633203.db2.gz CJQMEXWUWVVZOG-IBGZPJMESA-N 0 0 607.516 5.040 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224951817 571633247 /nfs/dbraw/zinc/63/32/47/571633247.db2.gz DRQYMEATUNJONK-LJQANCHMSA-N 0 0 607.516 5.040 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224959934 571633985 /nfs/dbraw/zinc/63/39/85/571633985.db2.gz CXLLZHVSJRWCBO-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224969963 571635031 /nfs/dbraw/zinc/63/50/31/571635031.db2.gz UELUOHAOCFMGFM-BJKOFHAPSA-N 0 0 506.971 6.089 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224991329 571637041 /nfs/dbraw/zinc/63/70/41/571637041.db2.gz JRTWAPHCOYJSFK-DEOSSOPVSA-N 0 0 671.216 5.669 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224992625 571637192 /nfs/dbraw/zinc/63/71/92/571637192.db2.gz ZHSSPDWDSAFNKM-XIFFEERXSA-N 0 0 719.658 6.252 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000224996315 571637608 /nfs/dbraw/zinc/63/76/08/571637608.db2.gz XRKPKUZKKZJGGD-VMPREFPWSA-N 0 0 573.122 6.847 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000224996214 571637642 /nfs/dbraw/zinc/63/76/42/571637642.db2.gz GLSHOGKNICWMGE-URLMMPGGSA-N 0 0 573.122 6.847 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 ZINC000225001280 571638072 /nfs/dbraw/zinc/63/80/72/571638072.db2.gz IZACLTMSFJYWEC-LOYHVIPDSA-N 0 0 604.132 7.325 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 ZINC000225003977 571638349 /nfs/dbraw/zinc/63/83/49/571638349.db2.gz SNIUOVKOLSUWQL-VMPREFPWSA-N 0 0 574.106 7.317 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225006829 571638551 /nfs/dbraw/zinc/63/85/51/571638551.db2.gz GDBTVZJGYMGFKQ-HHHXNRCGSA-N 0 0 610.505 5.444 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225014766 571639080 /nfs/dbraw/zinc/63/90/80/571639080.db2.gz ANKKYCMMVNCFHW-WJOKGBTCSA-N 0 0 693.620 5.717 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225022663 571639817 /nfs/dbraw/zinc/63/98/17/571639817.db2.gz SJJCXGTUZLEMCO-YTTGMZPUSA-N 0 0 772.118 6.688 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225035755 571640974 /nfs/dbraw/zinc/64/09/74/571640974.db2.gz HAEQMGXYNPODDE-HHHXNRCGSA-N 0 0 554.474 6.143 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225051732 571642350 /nfs/dbraw/zinc/64/23/50/571642350.db2.gz JOZMTRLUSVDFDW-MHZLTWQESA-N 0 0 635.570 5.141 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225082131 571645466 /nfs/dbraw/zinc/64/54/66/571645466.db2.gz YDXPBYCFAPUJBN-CONSDPRKSA-N 0 0 590.665 5.975 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225082437 571645540 /nfs/dbraw/zinc/64/55/40/571645540.db2.gz GDDBAMKNTJZRLR-FIRIVFDPSA-N 0 0 590.665 5.975 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225084556 571645700 /nfs/dbraw/zinc/64/57/00/571645700.db2.gz NRAVZGVOACBCHM-IOWSJCHKSA-N 0 0 591.649 6.444 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225090386 571646308 /nfs/dbraw/zinc/64/63/08/571646308.db2.gz MTDQYZQZXIJFKP-IOWSJCHKSA-N 0 0 591.649 6.444 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225093393 571646606 /nfs/dbraw/zinc/64/66/06/571646606.db2.gz PNIDSIBEPWSMNN-WJOKGBTCSA-N 0 0 683.614 6.262 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225104114 571647593 /nfs/dbraw/zinc/64/75/93/571647593.db2.gz OCABBNMXIWTGES-MHZLTWQESA-N 0 0 635.570 5.141 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225108144 571648046 /nfs/dbraw/zinc/64/80/46/571648046.db2.gz KNNARXUBBREXHZ-UMSFTDKQSA-N 0 0 670.788 5.498 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C ZINC000225113256 571648660 /nfs/dbraw/zinc/64/86/60/571648660.db2.gz XSIZIDYDNVCYID-SVBPBHIXSA-N 0 0 571.659 6.420 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225119118 571649300 /nfs/dbraw/zinc/64/93/00/571649300.db2.gz FMVQJAZDTUAZBP-SANMLTNESA-N 0 0 645.178 5.403 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119420 571649319 /nfs/dbraw/zinc/64/93/19/571649319.db2.gz UGSMHIDXHSKWPZ-KAYWLYCHSA-N 0 0 571.659 6.420 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225130869 571650253 /nfs/dbraw/zinc/65/02/53/571650253.db2.gz ZHPFNKKKRBANDV-DEOSSOPVSA-N 0 0 518.079 5.738 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225139609 571651172 /nfs/dbraw/zinc/65/11/72/571651172.db2.gz MRBQTAZMSXETRV-CLJLJLNGSA-N 0 0 561.067 6.206 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225161347 571653405 /nfs/dbraw/zinc/65/34/05/571653405.db2.gz VZEGITIOURZSEE-QHCPKHFHSA-N 0 0 640.734 5.112 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225164718 571653729 /nfs/dbraw/zinc/65/37/29/571653729.db2.gz XBJUDKSLBJKINA-GDLZYMKVSA-N 0 0 627.163 5.700 40 5 KKBBRN 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CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225260688 571663724 /nfs/dbraw/zinc/66/37/24/571663724.db2.gz CYVRXNYEMLCKHH-PMERELPUSA-N 0 0 705.661 6.670 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225262302 571663901 /nfs/dbraw/zinc/66/39/01/571663901.db2.gz YXHIVQQWIQYHRQ-LEWJYISDSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225262263 571663907 /nfs/dbraw/zinc/66/39/07/571663907.db2.gz YXHIVQQWIQYHRQ-NHCUHLMSSA-N 0 0 665.596 5.746 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000225274626 571665413 /nfs/dbraw/zinc/66/54/13/571665413.db2.gz IBNRAPKFKNNTEG-DHUJRADRSA-N 0 0 668.816 6.188 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000225280026 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CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225290481 571667150 /nfs/dbraw/zinc/66/71/50/571667150.db2.gz YZJMWKQYGVBMED-NDEPHWFRSA-N 0 0 533.694 5.693 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225297278 571668170 /nfs/dbraw/zinc/66/81/70/571668170.db2.gz YBAOQELAALHHNW-VQTJNVASSA-N 0 0 700.041 6.399 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000225302775 571668834 /nfs/dbraw/zinc/66/88/34/571668834.db2.gz GVXKXPRCTLUAIW-HKBQPEDESA-N 0 0 620.772 5.067 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225306282 571669314 /nfs/dbraw/zinc/66/93/14/571669314.db2.gz BHVIHXCMUNACHX-PMERELPUSA-N 0 0 622.744 5.055 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225307055 571669393 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CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225336965 571695317 /nfs/dbraw/zinc/69/53/17/571695317.db2.gz TVSUOMGIPXRLOM-HKBQPEDESA-N 0 0 666.797 5.372 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000260797889 571705640 /nfs/dbraw/zinc/70/56/40/571705640.db2.gz OCOZCRSVSLQPFY-HSZRJFAPSA-N 0 0 687.215 5.635 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260805028 571713564 /nfs/dbraw/zinc/71/35/64/571713564.db2.gz QQQHFSMYFIPNDL-OAQYLSRUSA-N 0 0 726.079 6.934 40 5 KKBBRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260807100 571714628 /nfs/dbraw/zinc/71/46/28/571714628.db2.gz QXVMYHIRPXGTLT-RUZDIDTESA-N 0 0 636.771 5.016 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225374278 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COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260910233 571837481 /nfs/dbraw/zinc/83/74/81/571837481.db2.gz KAQIFYKREYGWMU-PSXMRANNSA-N 0 0 767.732 7.503 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260911575 571840024 /nfs/dbraw/zinc/84/00/24/571840024.db2.gz FTYFIMRQJDEXEW-YADHBBJMSA-N 0 0 631.151 5.093 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225469696 571840576 /nfs/dbraw/zinc/84/05/76/571840576.db2.gz BFNWKDTWQNYKFM-RPBOFIJWSA-N 0 0 549.634 5.107 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260913046 571841555 /nfs/dbraw/zinc/84/15/55/571841555.db2.gz YGDREPNTUDHUAQ-JGCGQSQUSA-N 0 0 693.222 5.925 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225476706 571847142 /nfs/dbraw/zinc/84/71/42/571847142.db2.gz BXRRYBJHMSQNGD-XIFFEERXSA-N 0 0 725.239 6.456 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225482063 571852447 /nfs/dbraw/zinc/85/24/47/571852447.db2.gz ZDCALYGTOUIHFT-LJAQVGFWSA-N 0 0 614.595 7.224 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225484667 571855363 /nfs/dbraw/zinc/85/53/63/571855363.db2.gz PSJNZXPPMPNZEX-UMSFTDKQSA-N 0 0 723.679 7.186 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225488962 571859426 /nfs/dbraw/zinc/85/94/26/571859426.db2.gz GBJDJPSPIZGYFG-BHVANESWSA-N 0 0 767.732 7.503 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 ZINC000260927605 571869744 /nfs/dbraw/zinc/86/97/44/571869744.db2.gz ZCUHWIAVXUBRDS-OCKPKQIFSA-N 0 0 588.133 7.563 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225503207 571873078 /nfs/dbraw/zinc/87/30/78/571873078.db2.gz KHIWKOUZPAPJKZ-XIFFEERXSA-N 0 0 725.239 6.456 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260930487 571875131 /nfs/dbraw/zinc/87/51/31/571875131.db2.gz AXNBHTVGSCSSLJ-MGBGTMOVSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225508200 571879412 /nfs/dbraw/zinc/87/94/12/571879412.db2.gz PZOVDFYASXABTO-YIXXDRMTSA-N 0 0 659.205 5.791 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225510657 571881921 /nfs/dbraw/zinc/88/19/21/571881921.db2.gz DVPDMNKXFPDWET-LJAQVGFWSA-N 0 0 691.634 5.765 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225516888 571886877 /nfs/dbraw/zinc/88/68/77/571886877.db2.gz DOGCUSDDYXPJAZ-MUUNZHRXSA-N 0 0 614.526 6.378 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260938966 571892308 /nfs/dbraw/zinc/89/23/08/571892308.db2.gz RJIKKCFBKGLIST-JOCHJYFZSA-N 0 0 675.179 5.766 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225527909 571894370 /nfs/dbraw/zinc/89/43/70/571894370.db2.gz PCJDFMUSHXHTHN-UMSFTDKQSA-N 0 0 751.700 6.426 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260945795 571904558 /nfs/dbraw/zinc/90/45/58/571904558.db2.gz SXGIDUGPINLWRL-PSXMRANNSA-N 0 0 733.287 6.850 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225553896 571916412 /nfs/dbraw/zinc/91/64/12/571916412.db2.gz LKHINNLFIDCGQF-MGBGTMOVSA-N 0 0 786.145 7.079 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225558004 571920221 /nfs/dbraw/zinc/92/02/21/571920221.db2.gz AJDVFJUHNSVZRV-IZLXSDGUSA-N 0 0 541.633 5.814 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225562518 571924475 /nfs/dbraw/zinc/92/44/75/571924475.db2.gz PYOKCEMNIOIESJ-IZLXSDGUSA-N 0 0 541.633 5.814 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260957071 571925284 /nfs/dbraw/zinc/92/52/84/571925284.db2.gz GIPYRNGLCOFKJB-MGBGTMOVSA-N 0 0 675.207 6.142 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225577464 571937071 /nfs/dbraw/zinc/93/70/71/571937071.db2.gz FVXHTOBMTOVBOZ-MHZLTWQESA-N 0 0 635.570 5.224 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225577669 571937644 /nfs/dbraw/zinc/93/76/44/571937644.db2.gz IWTBOGOJRQFRGA-KAYWLYCHSA-N 0 0 526.622 5.090 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260965683 571939059 /nfs/dbraw/zinc/93/90/59/571939059.db2.gz LRWQOXIOCLTOGV-ZBLYBZFDSA-N 0 0 601.125 5.166 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225581294 571940735 /nfs/dbraw/zinc/94/07/35/571940735.db2.gz VAJMZWLVCKFYOB-MUUNZHRXSA-N 0 0 649.597 5.532 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225592058 571947975 /nfs/dbraw/zinc/94/79/75/571947975.db2.gz LRWQOXIOCLTOGV-JIPXPUAJSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260977187 571950749 /nfs/dbraw/zinc/95/07/49/571950749.db2.gz NLIXVBNEFOBUNA-PMACEKPBSA-N 0 0 621.543 5.429 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260977189 571950783 /nfs/dbraw/zinc/95/07/83/571950783.db2.gz NLIXVBNEFOBUNA-UXHICEINSA-N 0 0 621.543 5.429 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260977315 571950907 /nfs/dbraw/zinc/95/09/07/571950907.db2.gz NOOFQUANEOQGTG-RLWLMLJZSA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260978191 571951195 /nfs/dbraw/zinc/95/11/95/571951195.db2.gz ASCIPKBRDNSZCJ-GOXGLGGOSA-N 0 0 707.647 6.107 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225601383 571955497 /nfs/dbraw/zinc/95/54/97/571955497.db2.gz MYADZKWCWCMCMP-XIFFEERXSA-N 0 0 776.139 7.624 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260984623 571959644 /nfs/dbraw/zinc/95/96/44/571959644.db2.gz BNZOVVIGMPCDSZ-HPMVVLTCSA-N 0 0 786.145 7.078 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260986220 571962443 /nfs/dbraw/zinc/96/24/43/571962443.db2.gz BVXRMNCQAKEIRX-WJVKJDHCSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225619719 571970241 /nfs/dbraw/zinc/97/02/41/571970241.db2.gz HJXCHVDWVUFGCS-JIPXPUAJSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225619795 571970301 /nfs/dbraw/zinc/97/03/01/571970301.db2.gz IRCHCNISCOXUMY-JIPXPUAJSA-N 0 0 601.125 5.166 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000260994497 571976319 /nfs/dbraw/zinc/97/63/19/571976319.db2.gz OGBNWHDSBNBEEJ-MGBGTMOVSA-N 0 0 709.652 6.796 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260995630 571977850 /nfs/dbraw/zinc/97/78/50/571977850.db2.gz QROSBIBSBMHPKR-HRFSGMKKSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260996141 571979188 /nfs/dbraw/zinc/97/91/88/571979188.db2.gz DKXPZBKYRBKOHJ-SFRLIIPVSA-N 0 0 690.794 5.801 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260996560 571980102 /nfs/dbraw/zinc/98/01/02/571980102.db2.gz OSQXWZAXTFPSIO-PGUFJCEWSA-N 0 0 702.805 5.945 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225631186 571983412 /nfs/dbraw/zinc/98/34/12/571983412.db2.gz RKHFWTUSIGMOOW-PMERELPUSA-N 0 0 699.613 5.800 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225636914 571988342 /nfs/dbraw/zinc/98/83/42/571988342.db2.gz MVTARSYRXZLRON-VSGBNLITSA-N 0 0 541.633 5.868 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225639432 571990623 /nfs/dbraw/zinc/99/06/23/571990623.db2.gz GSGUYSGXNQOMSO-XIFFEERXSA-N 0 0 658.777 5.355 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261005630 571995229 /nfs/dbraw/zinc/99/52/29/571995229.db2.gz RDWYKXRTAONDRJ-MGBGTMOVSA-N 0 0 719.658 6.252 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261007130 571997633 /nfs/dbraw/zinc/99/76/33/571997633.db2.gz RIUVKPIIFHJCKG-MGBGTMOVSA-N 0 0 675.207 6.142 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225653663 572001252 /nfs/dbraw/zinc/00/12/52/572001252.db2.gz ZHIGTMSJGNRRPK-KAYWLYCHSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225658639 572004784 /nfs/dbraw/zinc/00/47/84/572004784.db2.gz IIZPLDIMZRHFSD-RRPNLBNLSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225673666 572014569 /nfs/dbraw/zinc/01/45/69/572014569.db2.gz HDOFYYSAPKOVLG-NFQMXDRXSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261017081 572016183 /nfs/dbraw/zinc/01/61/83/572016183.db2.gz HRYKXPJOMZFGLX-HPMVVLTCSA-N 0 0 725.239 6.454 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225678684 572017456 /nfs/dbraw/zinc/01/74/56/572017456.db2.gz UUKIQEWHIDCXAA-SXOMAYOGSA-N 0 0 543.605 5.260 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225678746 572017482 /nfs/dbraw/zinc/01/74/82/572017482.db2.gz UUKIQEWHIDCXAA-KAYWLYCHSA-N 0 0 543.605 5.260 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225692694 572026792 /nfs/dbraw/zinc/02/67/92/572026792.db2.gz FCHRRTDLRMNHOI-SVBPBHIXSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225692752 572026987 /nfs/dbraw/zinc/02/69/87/572026987.db2.gz FCHRRTDLRMNHOI-RRPNLBNLSA-N 0 0 526.622 5.090 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261029406 572029971 /nfs/dbraw/zinc/02/99/71/572029971.db2.gz JDZHFVHOCBKRQK-UKJJDJLKSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225701132 572032091 /nfs/dbraw/zinc/03/20/91/572032091.db2.gz QROSBIBSBMHPKR-NFQMXDRXSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261041129 572044884 /nfs/dbraw/zinc/04/48/84/572044884.db2.gz ZBLSHGVNMUTDCV-PSXMRANNSA-N 0 0 714.841 5.815 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225736442 572054958 /nfs/dbraw/zinc/05/49/58/572054958.db2.gz ZPVXMZOPBFDZQM-FQRUVTKNSA-N 0 0 714.068 6.789 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261055827 572059390 /nfs/dbraw/zinc/05/93/90/572059390.db2.gz MVAAUTYWSRRLLU-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261086688 572078236 /nfs/dbraw/zinc/07/82/36/572078236.db2.gz SGIFCJOXNVAJIO-OAQYLSRUSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261098233 572086214 /nfs/dbraw/zinc/08/62/14/572086214.db2.gz VLYDBJKKOGLRJS-YADHBBJMSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261098232 572086224 /nfs/dbraw/zinc/08/62/24/572086224.db2.gz VLYDBJKKOGLRJS-VXKWHMMOSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261099004 572087159 /nfs/dbraw/zinc/08/71/59/572087159.db2.gz VROOWDATFPFDRH-JKFCTSDTSA-N 0 0 751.700 6.424 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261103465 572090638 /nfs/dbraw/zinc/09/06/38/572090638.db2.gz WRXORGKFSUKCRO-UUWRZZSWSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261120937 572100393 /nfs/dbraw/zinc/10/03/93/572100393.db2.gz ZFUAWEGVSBYROJ-KMRXNPHXSA-N 0 0 649.597 5.531 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000261122063 572101004 /nfs/dbraw/zinc/10/10/04/572101004.db2.gz ZKPYPSZTKZMGGT-JGCGQSQUSA-N 0 0 642.778 5.653 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000263616284 572130977 /nfs/dbraw/zinc/13/09/77/572130977.db2.gz HWYJEBSPZZWBMD-AGHLDNRSSA-O 0 0 583.900 5.283 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000263616286 572130996 /nfs/dbraw/zinc/13/09/96/572130996.db2.gz HWYJEBSPZZWBMD-UNNWYCCJSA-O 0 0 583.900 5.283 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000299888679 572142232 /nfs/dbraw/zinc/14/22/32/572142232.db2.gz SZCBXWMUOPQSOX-GXNNKFMUSA-N 0 0 600.884 8.970 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408530618 572172283 /nfs/dbraw/zinc/17/22/83/572172283.db2.gz PYQVSFRCONKDEB-DHUJRADRSA-N 0 0 648.741 7.469 40 5 KKBBRN COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000408530963 572173829 /nfs/dbraw/zinc/17/38/29/572173829.db2.gz SYPFZGJMNQOQET-UMSFTDKQSA-N 0 0 634.714 7.078 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 ZINC000408531635 572176576 /nfs/dbraw/zinc/17/65/76/572176576.db2.gz VOYLXFNCGKDSTQ-UMSFTDKQSA-N 0 0 618.715 7.378 40 5 KKBBRN COC(=O)c1cccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)c1 ZINC000408541710 572209255 /nfs/dbraw/zinc/20/92/55/572209255.db2.gz FJPDHQBJDLUWOO-QFEZKATASA-N 0 0 527.558 5.621 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408542647 572210540 /nfs/dbraw/zinc/21/05/40/572210540.db2.gz KJXVCVVZSODOBJ-UHFFFAOYSA-N 0 0 568.453 5.967 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408543626 572213373 /nfs/dbraw/zinc/21/33/73/572213373.db2.gz PMBGJRARAOJXLC-TWGQIWQCSA-N 0 0 504.293 5.710 40 5 KKBBRN Cc1noc(/C=C\c2cc(I)cc(I)c2OCc2ccccc2)c1[N+](=O)[O-] ZINC000408544994 572217159 /nfs/dbraw/zinc/21/71/59/572217159.db2.gz WRBKYYKEXAYYND-FPLPWBNLSA-N 0 0 588.139 5.850 40 5 KKBBRN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408552912 572239507 /nfs/dbraw/zinc/23/95/07/572239507.db2.gz LQTDIBZVTIWMJD-UHFFFAOYSA-N 0 0 561.328 5.135 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408553618 572240954 /nfs/dbraw/zinc/24/09/54/572240954.db2.gz APRJIPRLLVTVNB-JOCHJYFZSA-N 0 0 559.349 7.500 40 5 KKBBRN O=C1CS[C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408554187 572241745 /nfs/dbraw/zinc/24/17/45/572241745.db2.gz CECNUVKTZLWYGZ-QFIPXVFZSA-N 0 0 519.804 6.368 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408554491 572241823 /nfs/dbraw/zinc/24/18/23/572241823.db2.gz CZSMDTRFPLIRGD-UHFFFAOYSA-N 0 0 500.349 5.386 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408556788 572244295 /nfs/dbraw/zinc/24/42/95/572244295.db2.gz KLEYQFHKVRBLEH-UHFFFAOYSA-N 0 0 508.712 6.332 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408557291 572244718 /nfs/dbraw/zinc/24/47/18/572244718.db2.gz MHYFCAPDTHCUGI-UHFFFAOYSA-N 0 0 566.264 5.429 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1 ZINC000408557494 572244924 /nfs/dbraw/zinc/24/49/24/572244924.db2.gz NWINZMLNJMKEIE-UHFFFAOYSA-N 0 0 526.612 6.964 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408557896 572245279 /nfs/dbraw/zinc/24/52/79/572245279.db2.gz QMNAEXHRQRJJAG-UHFFFAOYSA-N 0 0 524.742 6.053 40 5 KKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408558924 572246372 /nfs/dbraw/zinc/24/63/72/572246372.db2.gz TUTBEWJQTAPDNT-QFIPXVFZSA-N 0 0 650.800 7.451 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408560442 572247536 /nfs/dbraw/zinc/24/75/36/572247536.db2.gz ZNHCCUCHQYNRCW-QHCPKHFHSA-N 0 0 594.827 6.889 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563372 572249258 /nfs/dbraw/zinc/24/92/58/572249258.db2.gz AHHGCINZZXOTEL-OCAOGGMISA-N 0 0 578.463 5.400 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564688 572250626 /nfs/dbraw/zinc/25/06/26/572250626.db2.gz DPTRSPVAGUNNEY-IUUIHGGBSA-N 0 0 516.356 5.233 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000408565057 572251408 /nfs/dbraw/zinc/25/14/08/572251408.db2.gz BBUUTMPUHVJXOV-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408564990 572251451 /nfs/dbraw/zinc/25/14/51/572251451.db2.gz AXLCXSVLRFQDPO-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408564992 572251546 /nfs/dbraw/zinc/25/15/46/572251546.db2.gz AXLCXSVLRFQDPO-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408565360 572252471 /nfs/dbraw/zinc/25/24/71/572252471.db2.gz BUXKJFNQMSGZSG-HSZRJFAPSA-N 0 0 573.990 5.974 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565401 572252589 /nfs/dbraw/zinc/25/25/89/572252589.db2.gz KHPWUVNCUSGBDS-UQBYDPJISA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408565444 572252624 /nfs/dbraw/zinc/25/26/24/572252624.db2.gz BWUNTTKMBVSJSA-SANMLTNESA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565443 572252630 /nfs/dbraw/zinc/25/26/30/572252630.db2.gz KTNWDKGOXZTCTO-KLPDMWAPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565490 572252747 /nfs/dbraw/zinc/25/27/47/572252747.db2.gz CBLRNRBINOCPOF-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565517 572252812 /nfs/dbraw/zinc/25/28/12/572252812.db2.gz CDWAXZOKOOVNMP-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565504 572252818 /nfs/dbraw/zinc/25/28/18/572252818.db2.gz LAHAGXJDTNRDCM-JQHZVFBJSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408565543 572252833 /nfs/dbraw/zinc/25/28/33/572252833.db2.gz CGJVDMTVQIKNGY-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408565724 572253037 /nfs/dbraw/zinc/25/30/37/572253037.db2.gz CXHWSYAJAVVYKL-DEOSSOPVSA-N 0 0 555.454 6.036 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565701 572253082 /nfs/dbraw/zinc/25/30/82/572253082.db2.gz LTIXNVKCZXXZOM-BBFXTFFKSA-N 0 0 582.426 5.230 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408565883 572253172 /nfs/dbraw/zinc/25/31/72/572253172.db2.gz DCGCXOCOSPKSSB-AREMUKBSSA-N 0 0 587.073 6.855 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565764 572253195 /nfs/dbraw/zinc/25/31/95/572253195.db2.gz DBWHHPGEWJRQAK-RUZDIDTESA-N 0 0 509.031 6.535 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408566005 572253304 /nfs/dbraw/zinc/25/33/04/572253304.db2.gz DNPWXDOJETUZOR-RUZDIDTESA-N 0 0 601.498 6.874 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408565999 572253319 /nfs/dbraw/zinc/25/33/19/572253319.db2.gz DMHXONGNNQORRP-QHCPKHFHSA-N 0 0 628.763 7.988 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408566030 572253350 /nfs/dbraw/zinc/25/33/50/572253350.db2.gz DPFVTJPQGPCTBT-VWLOTQADSA-N 0 0 525.030 6.235 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000408566238 572253537 /nfs/dbraw/zinc/25/35/37/572253537.db2.gz FCZOFBGDGPCRFO-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408566365 572253806 /nfs/dbraw/zinc/25/38/06/572253806.db2.gz FLDJHORPVAPRTG-SSEXGKCCSA-N 0 0 570.671 6.825 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 ZINC000408566675 572253836 /nfs/dbraw/zinc/25/38/36/572253836.db2.gz FYYVGCKHCKKLGJ-RUZDIDTESA-N 0 0 526.565 5.942 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408566649 572253849 /nfs/dbraw/zinc/25/38/49/572253849.db2.gz FVUOIHMQVMQENR-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566732 572253886 /nfs/dbraw/zinc/25/38/86/572253886.db2.gz GADSRSSVZJQJSP-LJAQVGFWSA-N 0 0 633.568 7.806 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408566804 572254003 /nfs/dbraw/zinc/25/40/03/572254003.db2.gz OTSAWQZRBMEOAX-UUNMANHLSA-N 0 0 542.394 5.766 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408566787 572254016 /nfs/dbraw/zinc/25/40/16/572254016.db2.gz GDGTYFFAGBVXON-QFIPXVFZSA-N 0 0 551.402 6.850 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408566799 572254024 /nfs/dbraw/zinc/25/40/24/572254024.db2.gz OTSAWQZRBMEOAX-JQHZVFBJSA-N 0 0 542.394 5.766 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408567087 572254188 /nfs/dbraw/zinc/25/41/88/572254188.db2.gz GJOSVBNGPLKYEO-RUZDIDTESA-N 0 0 557.503 7.497 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 ZINC000408567147 572254201 /nfs/dbraw/zinc/25/42/01/572254201.db2.gz GPAJSEBRJYBQNE-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408567573 572254429 /nfs/dbraw/zinc/25/44/29/572254429.db2.gz GWNYNHMCPRQDDR-XMMPIXPASA-N 0 0 621.916 7.219 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(C)cc1 ZINC000408568614 572255019 /nfs/dbraw/zinc/25/50/19/572255019.db2.gz ICKDJXVNWNCJSP-DEOSSOPVSA-N 0 0 539.455 6.336 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000408568620 572255029 /nfs/dbraw/zinc/25/50/29/572255029.db2.gz ICQZMIKCGPLGIB-QHCPKHFHSA-N 0 0 561.408 6.306 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568382 572255072 /nfs/dbraw/zinc/25/50/72/572255072.db2.gz UFAKGGMKOWJYIE-NUWWLQTNSA-N 0 0 564.436 5.091 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408568736 572255180 /nfs/dbraw/zinc/25/51/80/572255180.db2.gz ILULABJZZKDCCF-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@@H]1CCCN12 ZINC000408568771 572255212 /nfs/dbraw/zinc/25/52/12/572255212.db2.gz ULMQALLGCCRQCF-RIOMWJCISA-N 0 0 584.470 6.236 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408568863 572255343 /nfs/dbraw/zinc/25/53/43/572255343.db2.gz VCQIEFCWRHDVQY-AWTIUKJOSA-N 0 0 552.400 5.222 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569371 572255585 /nfs/dbraw/zinc/25/55/85/572255585.db2.gz WAMXTKBVJLBQHR-UQBYDPJISA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408569542 572255725 /nfs/dbraw/zinc/25/57/25/572255725.db2.gz JLNXDOUQJTZAOE-AREMUKBSSA-N 0 0 573.502 7.279 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408569544 572255737 /nfs/dbraw/zinc/25/57/37/572255737.db2.gz JLNXDOUQJTZAOE-SANMLTNESA-N 0 0 573.502 7.279 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000248157721 572255938 /nfs/dbraw/zinc/25/59/38/572255938.db2.gz MPZOSKBBYXZCJU-KKIVPZFCSA-N 0 0 535.604 5.744 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000408569967 572256227 /nfs/dbraw/zinc/25/62/27/572256227.db2.gz KJVMBJQTSGRWNS-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570210 572256311 /nfs/dbraw/zinc/25/63/11/572256311.db2.gz ZVRLTIVRHNKMON-DNKZPPIMSA-N 0 0 586.870 5.602 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC ZINC000408571001 572256697 /nfs/dbraw/zinc/25/66/97/572256697.db2.gz MRRNWAIGIHYFEC-GOSISDBHSA-N 0 0 527.828 5.509 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408570294 572256400 /nfs/dbraw/zinc/25/64/00/572256400.db2.gz KUELDERSBDWEEM-HSZRJFAPSA-N 0 0 604.870 6.589 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccc(C)cc1 ZINC000408570313 572256413 /nfs/dbraw/zinc/25/64/13/572256413.db2.gz KWUBDHATJUEBCB-NDEPHWFRSA-N 0 0 510.619 6.726 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408570374 572256418 /nfs/dbraw/zinc/25/64/18/572256418.db2.gz LETAZTHGZLKJFY-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408570323 572256431 /nfs/dbraw/zinc/25/64/31/572256431.db2.gz KXBXEDYMJJDVHX-XMMPIXPASA-N 0 0 540.001 6.135 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408570393 572256457 /nfs/dbraw/zinc/25/64/57/572256457.db2.gz LIPMOYNAFXDPPQ-VWLOTQADSA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000408570577 572256513 /nfs/dbraw/zinc/25/65/13/572256513.db2.gz LLIOTQNBIJBWQL-VWLOTQADSA-N 0 0 526.565 5.942 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408570612 572256552 /nfs/dbraw/zinc/25/65/52/572256552.db2.gz LNYKSOWMYWPROJ-VWLOTQADSA-N 0 0 541.029 5.935 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408570721 572256583 /nfs/dbraw/zinc/25/65/83/572256583.db2.gz LZHOCEGAGOHEQY-QHCPKHFHSA-N 0 0 658.789 7.996 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408570858 572256593 /nfs/dbraw/zinc/25/65/93/572256593.db2.gz MAQMYPLZMBNPFQ-VWLOTQADSA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408570983 572256732 /nfs/dbraw/zinc/25/67/32/572256732.db2.gz MNMLFAZNWDFMSF-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408571115 572256822 /nfs/dbraw/zinc/25/68/22/572256822.db2.gz NRIKFYQKVXQHIF-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571191 572256926 /nfs/dbraw/zinc/25/69/26/572256926.db2.gz OCJMPCWJAIYILR-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408571183 572256946 /nfs/dbraw/zinc/25/69/46/572256946.db2.gz OBPKGSSETNEIDI-NRFANRHFSA-N 0 0 574.269 7.079 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000408571186 572256957 /nfs/dbraw/zinc/25/69/57/572256957.db2.gz OBXOWTJZWOIDAF-SANMLTNESA-N 0 0 583.508 6.734 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571386 572257037 /nfs/dbraw/zinc/25/70/37/572257037.db2.gz OPADLYQURVQASX-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000408571393 572257042 /nfs/dbraw/zinc/25/70/42/572257042.db2.gz OPFXHGGCWMSOBB-AREMUKBSSA-N 0 0 631.524 6.964 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408571391 572257066 /nfs/dbraw/zinc/25/70/66/572257066.db2.gz OPEOQHZESPBAMK-QHCPKHFHSA-N 0 0 594.318 7.334 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408571385 572257074 /nfs/dbraw/zinc/25/70/74/572257074.db2.gz OOUQJGULWAHGNA-LJAQVGFWSA-N 0 0 619.541 7.579 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccccc1 ZINC000408571581 572257136 /nfs/dbraw/zinc/25/71/36/572257136.db2.gz PCIGUHKJLDQZPN-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408571644 572257223 /nfs/dbraw/zinc/25/72/23/572257223.db2.gz PJRQYZCQSCPSSC-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1cccc(C)c1 ZINC000408571621 572257257 /nfs/dbraw/zinc/25/72/57/572257257.db2.gz PGLMNGNPTUAHJK-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571835 572257333 /nfs/dbraw/zinc/25/73/33/572257333.db2.gz PQWZFOZHOXEADV-VWLOTQADSA-N 0 0 559.475 6.889 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(F)cc1 ZINC000408571881 572257390 /nfs/dbraw/zinc/25/73/90/572257390.db2.gz PTMAUCGAZPBJSG-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571815 572257397 /nfs/dbraw/zinc/25/73/97/572257397.db2.gz POXWZAJWPHAYLC-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408571945 572257430 /nfs/dbraw/zinc/25/74/30/572257430.db2.gz QAYDFWJNOBFBMM-RUZDIDTESA-N 0 0 569.481 6.426 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408571934 572257443 /nfs/dbraw/zinc/25/74/43/572257443.db2.gz QAIYJPZYCRJPLY-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 ZINC000408571999 572257479 /nfs/dbraw/zinc/25/74/79/572257479.db2.gz QIDQKEHFBXIHOE-DEOSSOPVSA-N 0 0 512.538 5.552 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572092 572257539 /nfs/dbraw/zinc/25/75/39/572257539.db2.gz GSOQSNWJNGQAFV-UHFFFAOYSA-N 0 0 577.446 5.175 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408572025 572257554 /nfs/dbraw/zinc/25/75/54/572257554.db2.gz QLCGYFFVBXKMGA-DEOSSOPVSA-N 0 0 638.371 7.651 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572220 572257643 /nfs/dbraw/zinc/25/76/43/572257643.db2.gz HLNRTWBEDUYVIR-DHZHZOJOSA-N 0 0 603.484 5.575 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572322 572257775 /nfs/dbraw/zinc/25/77/75/572257775.db2.gz QWPUCRNEJUNIAC-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408572351 572257817 /nfs/dbraw/zinc/25/78/17/572257817.db2.gz QYCJBIXRYFUUQH-XMMPIXPASA-N 0 0 559.019 6.075 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408572382 572257836 /nfs/dbraw/zinc/25/78/36/572257836.db2.gz QZYPYELLDRUXMV-RUZDIDTESA-N 0 0 678.403 7.197 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCC ZINC000408572595 572257878 /nfs/dbraw/zinc/25/78/78/572257878.db2.gz RJESSIMZDQXMGE-IBGZPJMESA-N 0 0 507.410 5.246 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408572450 572257905 /nfs/dbraw/zinc/25/79/05/572257905.db2.gz RFFNBOKXUKMZFH-LJAQVGFWSA-N 0 0 540.645 6.735 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408572598 572257912 /nfs/dbraw/zinc/25/79/12/572257912.db2.gz RJPPTWGXUWHDAC-QHCPKHFHSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572633 572258021 /nfs/dbraw/zinc/25/80/21/572258021.db2.gz RNQKDYUOAXNDSS-RUZDIDTESA-N 0 0 593.920 7.624 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572741 572258031 /nfs/dbraw/zinc/25/80/31/572258031.db2.gz RXMSGPDIHDDCGL-XMMPIXPASA-N 0 0 540.001 6.135 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc2ccccc2c1 ZINC000408572713 572258051 /nfs/dbraw/zinc/25/80/51/572258051.db2.gz RWQKEQFJLKQLML-GDLZYMKVSA-N 0 0 540.645 6.817 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F ZINC000408572768 572258116 /nfs/dbraw/zinc/25/81/16/572258116.db2.gz RZPFLHNQCJWOIU-VWLOTQADSA-N 0 0 617.497 6.574 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408573050 572258473 /nfs/dbraw/zinc/25/84/73/572258473.db2.gz SHBUSIJMGDWCFA-SANMLTNESA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408573111 572258623 /nfs/dbraw/zinc/25/86/23/572258623.db2.gz SMTSMCPNTNZQSR-VWLOTQADSA-N 0 0 526.565 5.942 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccccc1 ZINC000408573123 572258647 /nfs/dbraw/zinc/25/86/47/572258647.db2.gz SPEUCIFCACWZAT-HSZRJFAPSA-N 0 0 570.425 5.936 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000408573443 572258841 /nfs/dbraw/zinc/25/88/41/572258841.db2.gz SWHGFALQJZEONO-XMMPIXPASA-N 0 0 569.481 6.426 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408573671 572259079 /nfs/dbraw/zinc/25/90/79/572259079.db2.gz UAWADTHXVBJLIK-MHZLTWQESA-N 0 0 609.933 7.834 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408573665 572259099 /nfs/dbraw/zinc/25/90/99/572259099.db2.gz UAJGJTOTQLACBE-VWLOTQADSA-N 0 0 583.508 6.653 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408574084 572259216 /nfs/dbraw/zinc/25/92/16/572259216.db2.gz UQPIQWWSVBQNPG-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408574080 572259238 /nfs/dbraw/zinc/25/92/38/572259238.db2.gz UPPKXAKMVKFIMY-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(OCC)c2)cc1 ZINC000408574027 572259287 /nfs/dbraw/zinc/25/92/87/572259287.db2.gz UKXUSOXHDFVBQY-HKBQPEDESA-N 0 0 584.698 7.215 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000408574430 572259586 /nfs/dbraw/zinc/25/95/86/572259586.db2.gz UUQKOWAQVVHSID-HSZRJFAPSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408574489 572259698 /nfs/dbraw/zinc/25/96/98/572259698.db2.gz UYGOWJJWFBUAKV-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccc(F)cc1 ZINC000408575018 572260046 /nfs/dbraw/zinc/26/00/46/572260046.db2.gz VMPCZCIIFOWISG-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408575033 572260058 /nfs/dbraw/zinc/26/00/58/572260058.db2.gz VQNMISPHCXMSAO-AREMUKBSSA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408575003 572260086 /nfs/dbraw/zinc/26/00/86/572260086.db2.gz VIMGWZCFWKBBPW-XMMPIXPASA-N 0 0 561.010 6.595 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408575237 572260370 /nfs/dbraw/zinc/26/03/70/572260370.db2.gz HZWYFHHNWBTKGV-UHFFFAOYSA-N 0 0 534.299 5.974 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000408575397 572260480 /nfs/dbraw/zinc/26/04/80/572260480.db2.gz WCZTVSMLFIJAGO-VWLOTQADSA-N 0 0 601.498 6.874 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408575456 572260518 /nfs/dbraw/zinc/26/05/18/572260518.db2.gz WIFMQXYCCSDBDO-RUZDIDTESA-N 0 0 603.926 7.079 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408575583 572260586 /nfs/dbraw/zinc/26/05/86/572260586.db2.gz WPCFCXPWKDCNTM-XMMPIXPASA-N 0 0 555.454 6.036 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408575581 572260590 /nfs/dbraw/zinc/26/05/90/572260590.db2.gz WPCFCXPWKDCNTM-DEOSSOPVSA-N 0 0 555.454 6.036 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408575633 572260594 /nfs/dbraw/zinc/26/05/94/572260594.db2.gz WSIVGSBOUKJRLJ-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408575843 572260804 /nfs/dbraw/zinc/26/08/04/572260804.db2.gz WYHAGBCOCAMVDB-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000408575920 572260853 /nfs/dbraw/zinc/26/08/53/572260853.db2.gz XASPPWYNIYVDFT-HHHXNRCGSA-N 0 0 552.628 6.201 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408575846 572260897 /nfs/dbraw/zinc/26/08/97/572260897.db2.gz WYHAGBCOCAMVDB-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408576074 572261041 /nfs/dbraw/zinc/26/10/41/572261041.db2.gz XHHBIMPDNXDLDK-NDEPHWFRSA-N 0 0 589.515 7.489 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408576170 572261075 /nfs/dbraw/zinc/26/10/75/572261075.db2.gz XNCUQZBRASTPST-AREMUKBSSA-N 0 0 583.508 6.734 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(C)cc1 ZINC000408576103 572261085 /nfs/dbraw/zinc/26/10/85/572261085.db2.gz XHVPCLRYRSMMMH-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408576612 572261302 /nfs/dbraw/zinc/26/13/02/572261302.db2.gz XVZRZSJFYIIYCE-RUZDIDTESA-N 0 0 603.926 7.079 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408576640 572261346 /nfs/dbraw/zinc/26/13/46/572261346.db2.gz XXODZYKMEFBLSE-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(F)cc1 ZINC000408576722 572261414 /nfs/dbraw/zinc/26/14/14/572261414.db2.gz YECDUPWLGOIBKX-QHCPKHFHSA-N 0 0 561.408 6.306 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408577007 572261687 /nfs/dbraw/zinc/26/16/87/572261687.db2.gz YINUZBCUWKASSQ-VWLOTQADSA-N 0 0 525.030 6.235 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408577045 572261694 /nfs/dbraw/zinc/26/16/94/572261694.db2.gz YMTMCCGCABGIMW-FQEVSTJZSA-N 0 0 525.400 5.385 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408577206 572261832 /nfs/dbraw/zinc/26/18/32/572261832.db2.gz YSSANSUOXSAHIT-RUZDIDTESA-N 0 0 541.029 5.935 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1 ZINC000408577363 572261844 /nfs/dbraw/zinc/26/18/44/572261844.db2.gz ZBBKGYWMTILXDJ-VWLOTQADSA-N 0 0 571.472 6.783 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408577398 572261942 /nfs/dbraw/zinc/26/19/42/572261942.db2.gz ZFPZMLFPUMHURW-HSZRJFAPSA-N 0 0 594.318 7.334 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408577761 572262303 /nfs/dbraw/zinc/26/23/03/572262303.db2.gz ZTWBZRAIYUATLU-XMMPIXPASA-N 0 0 600.451 5.944 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408577772 572262304 /nfs/dbraw/zinc/26/23/04/572262304.db2.gz ZULPTHKRPKRWEQ-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408585846 572266126 /nfs/dbraw/zinc/26/61/26/572266126.db2.gz JHYVFWCPUDTEGR-UHFFFAOYSA-N 0 0 550.464 5.965 40 5 KKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604827 572274147 /nfs/dbraw/zinc/27/41/47/572274147.db2.gz FIUJLSLWBILRDI-UHFFFAOYSA-N 0 0 556.759 6.582 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000408605773 572274591 /nfs/dbraw/zinc/27/45/91/572274591.db2.gz GRKLXYNNFCTXBX-UHFFFAOYSA-N 0 0 569.193 6.162 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408606462 572274891 /nfs/dbraw/zinc/27/48/91/572274891.db2.gz ITKQCJANFOITEJ-UHFFFAOYSA-N 0 0 637.190 7.702 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408614903 572278087 /nfs/dbraw/zinc/27/80/87/572278087.db2.gz JONOISQSOJCBLD-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 ZINC000408625790 572283605 /nfs/dbraw/zinc/28/36/05/572283605.db2.gz YDDZYSCVOQJZLR-UHFFFAOYSA-N 0 0 532.334 5.738 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408629759 572285335 /nfs/dbraw/zinc/28/53/35/572285335.db2.gz HNLVRWFJYCJPOW-UHFFFAOYSA-N 0 0 548.017 5.186 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408630018 572285610 /nfs/dbraw/zinc/28/56/10/572285610.db2.gz MIMDFHSIAVAOIS-UHFFFAOYSA-N 0 0 628.490 6.284 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408630024 572285618 /nfs/dbraw/zinc/28/56/18/572285618.db2.gz MKGATMZRNVQQCD-UHFFFAOYSA-N 0 0 601.081 5.025 40 5 KKBBRN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408636605 572293517 /nfs/dbraw/zinc/29/35/17/572293517.db2.gz BAJBHIHUEOHCAI-HSZRJFAPSA-N 0 0 610.575 5.394 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 ZINC000408636967 572294020 /nfs/dbraw/zinc/29/40/20/572294020.db2.gz DQVHFIRWHSSQLQ-NRFANRHFSA-N 0 0 516.550 5.598 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408637841 572294703 /nfs/dbraw/zinc/29/47/03/572294703.db2.gz BHABJXPWNHYUMG-UHFFFAOYSA-N 0 0 556.358 5.473 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408638141 572294884 /nfs/dbraw/zinc/29/48/84/572294884.db2.gz BZAPNDQRHVIOQX-LAMXGVLKSA-N 0 0 610.450 6.355 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638281 572294984 /nfs/dbraw/zinc/29/49/84/572294984.db2.gz QSYDSXGKCXBPIB-RUZDIDTESA-N 0 0 602.599 7.112 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408638976 572295461 /nfs/dbraw/zinc/29/54/61/572295461.db2.gz DUXKXCQOPBAMNI-IHMJZKOGSA-N 0 0 648.466 5.238 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 ZINC000408639136 572295633 /nfs/dbraw/zinc/29/56/33/572295633.db2.gz VJOPMIWAUIFZCP-RUZDIDTESA-N 0 0 608.647 7.390 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408639615 572295965 /nfs/dbraw/zinc/29/59/65/572295965.db2.gz GCFAGZXJXAPOSL-UHFFFAOYSA-N 0 0 789.969 6.089 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)c1 ZINC000408641301 572296967 /nfs/dbraw/zinc/29/69/67/572296967.db2.gz CKQKZKJTPKRIJS-RUZDIDTESA-N 0 0 594.576 5.269 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408642273 572297593 /nfs/dbraw/zinc/29/75/93/572297593.db2.gz MPXHIIYCUYAUCO-UHFFFAOYSA-N 0 0 933.969 8.707 40 5 KKBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408642735 572297900 /nfs/dbraw/zinc/29/79/00/572297900.db2.gz FCUJLDVJNMZUDT-AVDBILAHSA-N 0 0 573.989 5.478 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408642765 572297903 /nfs/dbraw/zinc/29/79/03/572297903.db2.gz FDZQEZVMFJDHOY-AGTZKDDFSA-N 0 0 592.007 5.381 40 5 KKBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c1 ZINC000408643338 572298132 /nfs/dbraw/zinc/29/81/32/572298132.db2.gz PFAUIZYVXPYETA-UHFFFAOYSA-N 0 0 774.998 6.190 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1[N+](=O)[O-] ZINC000408643377 572298176 /nfs/dbraw/zinc/29/81/76/572298176.db2.gz ANUPKDFVYDUTAR-UHFFFAOYSA-N 0 0 511.918 5.250 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408643800 572298346 /nfs/dbraw/zinc/29/83/46/572298346.db2.gz GLRVSOCDYACZQK-MRXNPFEDSA-N 0 0 529.332 5.473 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408644794 572298915 /nfs/dbraw/zinc/29/89/15/572298915.db2.gz RUUFOUXUIPLDPD-UHFFFAOYSA-N 0 0 732.272 6.872 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000408645322 572299114 /nfs/dbraw/zinc/29/91/14/572299114.db2.gz LBNNFJNLRTUPES-UHFFFAOYSA-N 0 0 547.567 6.493 40 5 KKBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408645427 572299168 /nfs/dbraw/zinc/29/91/68/572299168.db2.gz SIDNGRUTWQZOIU-LBPRGKRZSA-N 0 0 546.750 5.480 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000408645753 572299405 /nfs/dbraw/zinc/29/94/05/572299405.db2.gz IBXVUJMFBUYOGR-YNPPORQASA-N 0 0 727.751 5.803 40 5 KKBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408646775 572300175 /nfs/dbraw/zinc/30/01/75/572300175.db2.gz UMGPTHWFOFFXLE-LLVKDONJSA-N 0 0 581.195 6.133 40 5 KKBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408646848 572300263 /nfs/dbraw/zinc/30/02/63/572300263.db2.gz IYSPJCPNVHLSAI-YNMMXACUSA-N 0 0 571.589 5.116 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408647216 572300401 /nfs/dbraw/zinc/30/04/01/572300401.db2.gz UUJIMNHIXGLVDE-UHFFFAOYSA-N 0 0 899.524 8.054 40 5 KKBBRN Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000408647573 572300613 /nfs/dbraw/zinc/30/06/13/572300613.db2.gz SMQPDALDCMRENY-UHFFFAOYSA-N 0 0 519.554 5.603 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408647733 572300656 /nfs/dbraw/zinc/30/06/56/572300656.db2.gz VLNLJBTUQSPEPV-ZCYQVOJMSA-N 0 0 636.444 5.702 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408647915 572300714 /nfs/dbraw/zinc/30/07/14/572300714.db2.gz WAVRQTSMSKXSPJ-BJKOFHAPSA-N 0 0 608.434 6.275 40 5 KKBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408648157 572300949 /nfs/dbraw/zinc/30/09/49/572300949.db2.gz JSCUPRLTEKTTHW-KDIPQVSASA-N 0 0 585.616 5.424 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] ZINC000408648882 572301424 /nfs/dbraw/zinc/30/14/24/572301424.db2.gz CQCAMBRRNJBHNA-FZNVTIIDSA-N 0 0 593.463 5.792 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408649395 572301872 /nfs/dbraw/zinc/30/18/72/572301872.db2.gz XZEGVTRXXLMCRM-UHFFFAOYSA-N 0 0 758.999 6.490 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408649631 572302005 /nfs/dbraw/zinc/30/20/05/572302005.db2.gz YQFQGZQOTVPDKG-UHFFFAOYSA-N 0 0 899.524 8.054 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408650095 572302326 /nfs/dbraw/zinc/30/23/26/572302326.db2.gz ZLBLVMULJKCPMS-HGMMTPDKSA-N 0 0 638.460 5.782 40 5 KKBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)c1 ZINC000408650183 572302461 /nfs/dbraw/zinc/30/24/61/572302461.db2.gz ZSKHEPCWRCEMMB-UHFFFAOYSA-N 0 0 717.301 6.973 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 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555.543 5.084 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 ZINC000408656175 572305918 /nfs/dbraw/zinc/30/59/18/572305918.db2.gz IONXWTUYXYXXSD-FQEVSTJZSA-N 0 0 531.565 5.354 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408656948 572306457 /nfs/dbraw/zinc/30/64/57/572306457.db2.gz MOVNQAKYQIPBFE-DQXSBBCTSA-N 0 0 578.452 5.687 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408657546 572306753 /nfs/dbraw/zinc/30/67/53/572306753.db2.gz NATGIUARENMPEW-GIUSKXMWSA-N 0 0 655.490 5.525 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408657726 572306905 /nfs/dbraw/zinc/30/69/05/572306905.db2.gz NMNJUOVBYOZAGB-NTDMNLGMSA-N 0 0 633.871 6.703 40 5 KKBBRN 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KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408865865 1070083979 /nfs/dbraw/zinc/08/39/79/1070083979.db2.gz GBLPBOYTXDSEDY-MSXFZWOLSA-N 0 0 630.448 6.149 40 5 KKBBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000408868483 1070089398 /nfs/dbraw/zinc/08/93/98/1070089398.db2.gz OOJHDHNLYADILH-JMIUGGIZSA-N 0 0 581.912 6.211 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408868419 1070089526 /nfs/dbraw/zinc/08/95/26/1070089526.db2.gz ONPSQXLYKCVFSJ-UUYOSTAYSA-N 0 0 589.851 6.835 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408869344 1070091489 /nfs/dbraw/zinc/09/14/89/1070091489.db2.gz BZYHQOSNOOGDAY-PKYOQBLNSA-N 0 0 579.634 5.428 40 5 KKBBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408878060 1070113466 /nfs/dbraw/zinc/11/34/66/1070113466.db2.gz 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/nfs/dbraw/zinc/23/39/07/1070233907.db2.gz ROZRJKYHNKLDFG-USDTVRPUSA-N 0 0 579.634 5.428 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408930983 1070261553 /nfs/dbraw/zinc/26/15/53/1070261553.db2.gz FTNKIZNICQYCSR-QRVIBDJDSA-N 0 0 612.458 5.928 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408933989 1070267990 /nfs/dbraw/zinc/26/79/90/1070267990.db2.gz CDOMTJZXKIOGKL-IIKZDBHXSA-N 0 0 763.450 6.372 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408938823 1070280965 /nfs/dbraw/zinc/28/09/65/1070280965.db2.gz SIPBTRKFANHFHF-MKTOWPBFSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937616 1070292126 /nfs/dbraw/zinc/29/21/26/1070292126.db2.gz KDSPOOXCQYAJJH-UAMLYEQYSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408940961 1070287648 /nfs/dbraw/zinc/28/76/48/1070287648.db2.gz OWYIQJPMZSAQGV-VPHSIRQSSA-N 0 0 771.484 6.598 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408945109 1070299131 /nfs/dbraw/zinc/29/91/31/1070299131.db2.gz WSCNISDVTGGPQS-QUNTYYFUSA-N 0 0 774.033 6.331 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n21 ZINC000408947477 1070311601 /nfs/dbraw/zinc/31/16/01/1070311601.db2.gz QCXXJYILCRBXRV-ZFWDJNJRSA-N 0 0 717.392 5.889 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408981449 1070339310 /nfs/dbraw/zinc/33/93/10/1070339310.db2.gz HLXFCGMQXXMRJT-VCDQAHEJSA-N 0 0 737.810 6.154 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408992349 1070360133 /nfs/dbraw/zinc/36/01/33/1070360133.db2.gz AKLMPQJRDQJMKW-OTHIGLTOSA-N 0 0 911.556 7.755 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409036890 1070438400 /nfs/dbraw/zinc/43/84/00/1070438400.db2.gz RVCYKZLERLPYNW-UAMLYEQYSA-N 0 0 692.588 5.837 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043694 1070449429 /nfs/dbraw/zinc/44/94/29/1070449429.db2.gz ZCHFUJSBBXVNRS-CDWRSTBESA-N 0 0 830.610 5.816 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044779 1070452353 /nfs/dbraw/zinc/45/23/53/1070452353.db2.gz PBCVSEUNTLBZBX-QHCWNQLDSA-N 0 0 718.741 5.602 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)sc2=N1 ZINC000409048243 1070460895 /nfs/dbraw/zinc/46/08/95/1070460895.db2.gz VVBGETGCGMWUNL-ZJTZAHLKSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048880 1070462142 /nfs/dbraw/zinc/46/21/42/1070462142.db2.gz XPRIXQIEYPRXGG-CFPUELQSSA-N 0 0 796.649 5.007 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc54)c(=O)n32)cc1 ZINC000409081676 1070504850 /nfs/dbraw/zinc/50/48/50/1070504850.db2.gz QBXHLQGGMTUOLO-VMCUCKNMSA-N 0 0 581.697 6.189 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084594 1070510622 /nfs/dbraw/zinc/51/06/22/1070510622.db2.gz WVWGNCHMSLFTGR-ZCWBPALNSA-N 0 0 682.549 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409090651 1070525523 /nfs/dbraw/zinc/52/55/23/1070525523.db2.gz MVZCRSHLRVQYPX-KEQCBNTKSA-N 0 0 807.404 5.495 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096994 1070530315 /nfs/dbraw/zinc/53/03/15/1070530315.db2.gz FPJLNZFFNYKXHJ-DTDQMKFYSA-N 0 0 652.729 5.442 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409101235 1070534351 /nfs/dbraw/zinc/53/43/51/1070534351.db2.gz SFRPFVJJIMUMGE-VXBWEVHPSA-N 0 0 697.820 5.521 40 5 KKBBRN COc1cc(CNc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118804 1070544895 /nfs/dbraw/zinc/54/48/95/1070544895.db2.gz RCGSKACNDBAHFI-UHFFFAOYSA-N 0 0 518.351 6.016 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 ZINC000409120237 1070546497 /nfs/dbraw/zinc/54/64/97/1070546497.db2.gz UTYHDBSHCKZVPZ-NHDPSOOVSA-N 0 0 680.280 6.926 40 5 KKBBRN Cc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409114943 1070549201 /nfs/dbraw/zinc/54/92/01/1070549201.db2.gz FJIPUXUWCMQRSX-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409146194 1070573886 /nfs/dbraw/zinc/57/38/86/1070573886.db2.gz SAHLSVLFFNZLME-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 ZINC000409161426 1070574373 /nfs/dbraw/zinc/57/43/73/1070574373.db2.gz XBBXXKLHFSVFCA-UFFVCSGVSA-N 0 0 658.246 8.167 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409172970 1070588862 /nfs/dbraw/zinc/58/88/62/1070588862.db2.gz JVJMJRGHZZTBCK-UHFFFAOYSA-N 0 0 529.548 7.642 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409171960 1070587725 /nfs/dbraw/zinc/58/77/25/1070587725.db2.gz FOCVQWSGSMLJNA-UMSFTDKQSA-N 0 0 565.585 7.653 40 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DFYLZSFKGOFYPK-JBDHCHCMSA-N 0 0 638.529 5.901 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409177608 1070592953 /nfs/dbraw/zinc/59/29/53/1070592953.db2.gz COBNHRFZQMESCG-MYKKPKGFSA-N 0 0 611.032 5.258 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178910 1070594576 /nfs/dbraw/zinc/59/45/76/1070594576.db2.gz KCHOAIAJEYYGLV-UHFFFAOYSA-N 0 0 596.061 5.978 40 5 KKBBRN Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409179360 1070595224 /nfs/dbraw/zinc/59/52/24/1070595224.db2.gz MGVXDWPTNAFDJQ-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000409179871 1070595728 /nfs/dbraw/zinc/59/57/28/1070595728.db2.gz OVICLXXYSGXQIN-UHFFFAOYSA-N 0 0 535.723 5.721 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409180742 1070597811 /nfs/dbraw/zinc/59/78/11/1070597811.db2.gz UZUXACRWZNPHKK-SANMLTNESA-N 0 0 543.444 5.985 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181091 1070598447 /nfs/dbraw/zinc/59/84/47/1070598447.db2.gz VZGRIHKFGKUIPY-LXYLXTGBSA-N 0 0 727.431 6.119 40 5 KKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 ZINC000409183708 1070602453 /nfs/dbraw/zinc/60/24/53/1070602453.db2.gz SFEGAFSGDBHXPE-SANMLTNESA-N 0 0 515.547 5.604 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409191761 1070609122 /nfs/dbraw/zinc/60/91/22/1070609122.db2.gz MOAOGGPPVUIWBY-JKYQMCTKSA-N 0 0 677.099 6.846 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409197009 1070617146 /nfs/dbraw/zinc/61/71/46/1070617146.db2.gz ZQXROECSWXQJDV-XDHOZWIPSA-N 0 0 527.455 5.898 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409198738 1070620320 /nfs/dbraw/zinc/62/03/20/1070620320.db2.gz DSMRLAJITBZOEC-UFWORHAWSA-N 0 0 603.369 6.404 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccs1 ZINC000409190011 1070621632 /nfs/dbraw/zinc/62/16/32/1070621632.db2.gz UNTIISAKHFPHFQ-YOWYGEOISA-N 0 0 755.303 6.988 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OCC)c3)C(=O)O2)cc1OCC ZINC000409189521 1070620797 /nfs/dbraw/zinc/62/07/97/1070620797.db2.gz PZASCKBNGXQNKU-CWLNMNGKSA-N 0 0 572.570 5.754 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1N1CCOCC1 ZINC000409204136 1070629425 /nfs/dbraw/zinc/62/94/25/1070629425.db2.gz BZELMSFBGLVLCM-MFKUBSTISA-N 0 0 628.585 5.918 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409209605 1070633581 /nfs/dbraw/zinc/63/35/81/1070633581.db2.gz GTAINFQCRKFEIX-YDZHTSKRSA-N 0 0 510.955 6.467 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 ZINC000409244574 1070662006 /nfs/dbraw/zinc/66/20/06/1070662006.db2.gz FSNPXDNLVZRBNE-SSDVNMTOSA-N 0 0 586.395 5.750 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409257364 1070677542 /nfs/dbraw/zinc/67/75/42/1070677542.db2.gz SHSXORUGXCZOHK-UHFFFAOYSA-N 0 0 546.045 5.831 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409266912 1070691147 /nfs/dbraw/zinc/69/11/47/1070691147.db2.gz SDOWCVBBJPQWIY-VULFUBBASA-N 0 0 600.565 6.132 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409269828 1070704829 /nfs/dbraw/zinc/70/48/29/1070704829.db2.gz FHHWJIVTZGUNIK-LSFURLLWSA-N 0 0 586.485 5.257 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409271752 1070708780 /nfs/dbraw/zinc/70/87/80/1070708780.db2.gz MRBJJKVCAGQXEA-SRZZPIQSSA-N 0 0 713.428 6.269 40 5 KKBBRN O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000409273852 1070713536 /nfs/dbraw/zinc/71/35/36/1070713536.db2.gz MBSPTNXPKOPGNE-JMIUGGIZSA-N 0 0 520.872 7.300 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409274400 1070715613 /nfs/dbraw/zinc/71/56/13/1070715613.db2.gz CWDWKOBJKOAHFC-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276691 1070721941 /nfs/dbraw/zinc/72/19/41/1070721941.db2.gz VEDTXDGHLBEGLP-YDZHTSKRSA-N 0 0 553.390 5.856 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409340635 1070846778 /nfs/dbraw/zinc/84/67/78/1070846778.db2.gz ABJKJOMCMVRRRH-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Br ZINC000409343512 1070851873 /nfs/dbraw/zinc/85/18/73/1070851873.db2.gz DQVUBTAYVVOXMB-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000409337192 1070858553 /nfs/dbraw/zinc/85/85/53/1070858553.db2.gz YNKFAKUPNVCMIB-JSRHHAARSA-N 0 0 560.562 5.587 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409364720 1070881596 /nfs/dbraw/zinc/88/15/96/1070881596.db2.gz YIPSCNVREYMJCB-HXUWFJFHSA-N 0 0 531.038 5.108 40 5 KKBBRN CC1CCN(C(=S)c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)CC1 ZINC000409368135 1070891440 /nfs/dbraw/zinc/89/14/40/1070891440.db2.gz TXGDXBQIIQBKKV-UHFFFAOYSA-N 0 0 528.266 6.106 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398006 1070918915 /nfs/dbraw/zinc/91/89/15/1070918915.db2.gz AUMSYLUYHICCLI-UUYOSTAYSA-N 0 0 606.385 5.562 40 5 KKBBRN 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CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC ZINC000408940477 1071317391 /nfs/dbraw/zinc/31/73/91/1071317391.db2.gz USJGSYUJWSKNIQ-QRTVLOPISA-N 0 0 755.556 5.195 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408937436 1071339540 /nfs/dbraw/zinc/33/95/40/1071339540.db2.gz GOKRTXUYEQPCHM-UONGPDOGSA-N 0 0 773.456 5.828 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408937320 1071340849 /nfs/dbraw/zinc/34/08/49/1071340849.db2.gz QIJMFRXKTVDQPQ-MSXFZWOLSA-N 0 0 630.448 6.149 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408684200 1071344681 /nfs/dbraw/zinc/34/46/81/1071344681.db2.gz MZSYKECGLWNOLT-UHFFFAOYSA-N 0 0 584.155 5.970 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408687017 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COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408689742 1071410922 /nfs/dbraw/zinc/41/09/22/1071410922.db2.gz YYSDPDCNIRERID-UHFFFAOYSA-N 0 0 597.194 5.753 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408688352 1071421305 /nfs/dbraw/zinc/42/13/05/1071421305.db2.gz WAZNQKQJKJOZNW-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408688153 1071424390 /nfs/dbraw/zinc/42/43/90/1071424390.db2.gz VVFPJWYWPIMCGV-BYVQZYKMSA-N 0 0 571.589 5.036 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976784 1071469506 /nfs/dbraw/zinc/46/95/06/1071469506.db2.gz TYMFFSKGXCPSAG-HYRGFNLMSA-N 0 0 710.812 7.230 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408985597 1071500095 /nfs/dbraw/zinc/50/00/95/1071500095.db2.gz NTBMIDSJFHTESB-LLXISZFLSA-N 0 0 682.154 6.085 40 5 KKBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 ZINC000408710469 1071508222 /nfs/dbraw/zinc/50/82/22/1071508222.db2.gz KIUNGFJPZUGLHW-UHFFFAOYSA-N 0 0 524.356 5.380 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408720375 1071511903 /nfs/dbraw/zinc/51/19/03/1071511903.db2.gz MIYKCTCLBDPUMK-FCCHYQJHSA-N 0 0 541.003 6.354 40 5 KKBBRN O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408726291 1071513547 /nfs/dbraw/zinc/51/35/47/1071513547.db2.gz RMPSYZKFCRUQRQ-SCDVKCJHSA-N 0 0 560.327 6.270 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000408710487 1071509159 /nfs/dbraw/zinc/50/91/59/1071509159.db2.gz VCQLSKDYHAIOFX-UHFFFAOYSA-N 0 0 549.568 5.849 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000408981757 1071531836 /nfs/dbraw/zinc/53/18/36/1071531836.db2.gz BLEQMQHPAVPGCS-FUAQWRKOSA-N 0 0 640.721 5.847 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(Cc5cccc6ccccc65)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000408981472 1071534845 /nfs/dbraw/zinc/53/48/45/1071534845.db2.gz HRSKWFYNOUOWCL-UHFFFAOYSA-N 0 0 747.884 7.999 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408980568 1071538802 /nfs/dbraw/zinc/53/88/02/1071538802.db2.gz FQYXFMWDAWGYTK-KMCFWPMWSA-N 0 0 716.599 6.738 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980196 1071541566 /nfs/dbraw/zinc/54/15/66/1071541566.db2.gz FBZLWWZTJKQJCG-VCLSCOGJSA-N 0 0 742.206 6.102 40 5 KKBBRN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408719442 1071547647 /nfs/dbraw/zinc/54/76/47/1071547647.db2.gz PFTLSNXUPTXSMX-RRDXFFBTSA-N 0 0 512.949 5.574 40 5 KKBBRN O=C(Oc1cccc(Br)c1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4cccc(Br)c4)c3cc21 ZINC000408720742 1071543409 /nfs/dbraw/zinc/54/34/09/1071543409.db2.gz XVHHJHMEYAYCMZ-UHFFFAOYSA-N 0 0 730.412 10.080 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000408979354 1071544111 /nfs/dbraw/zinc/54/41/11/1071544111.db2.gz BXEFEFUKIHOGAQ-UHFFFAOYSA-N 0 0 824.096 7.925 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408720530 1071544093 /nfs/dbraw/zinc/54/40/93/1071544093.db2.gz SYXDGXYAGGCJTK-QYRZKEDASA-N 0 0 506.558 5.701 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000408728789 1071549124 /nfs/dbraw/zinc/54/91/24/1071549124.db2.gz UEWKPOJDRIOYQS-PJYWLYPCSA-N 0 0 503.352 5.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733616 1071550614 /nfs/dbraw/zinc/55/06/14/1071550614.db2.gz MIOSZLKWBWMPAJ-UPWSPCOFSA-N 0 0 661.048 5.788 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408733503 1071552166 /nfs/dbraw/zinc/55/21/66/1071552166.db2.gz YPLJKYLMYNTFHP-PQIRLRHJSA-N 0 0 590.544 5.007 40 5 KKBBRN CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000408736612 1071555558 /nfs/dbraw/zinc/55/55/58/1071555558.db2.gz DUWCGHLAPNWHHO-OAQYLSRUSA-N 0 0 507.572 5.132 40 5 KKBBRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000408736611 1071555602 /nfs/dbraw/zinc/55/56/02/1071555602.db2.gz DUWCGHLAPNWHHO-NRFANRHFSA-N 0 0 507.572 5.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735272 1071561430 /nfs/dbraw/zinc/56/14/30/1071561430.db2.gz PHOIBBAQHJJVKT-USDTVRPUSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735026 1071563014 /nfs/dbraw/zinc/56/30/14/1071563014.db2.gz MJPMZPWYXCAMSI-OCDQFKQQSA-N 0 0 704.714 5.213 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734367 1071565392 /nfs/dbraw/zinc/56/53/92/1071565392.db2.gz XMWNNLVACBOAAO-DQARITGZSA-N 0 0 684.941 7.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733959 1071568946 /nfs/dbraw/zinc/56/89/46/1071568946.db2.gz TVHUVTGVSRCVSH-OCDQFKQQSA-N 0 0 793.490 7.379 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733984 1071569551 /nfs/dbraw/zinc/56/95/51/1071569551.db2.gz UDMNXTABEPGGCW-IZBTWGKQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733845 1071570935 /nfs/dbraw/zinc/57/09/35/1071570935.db2.gz BALOEBYZEBFNIN-UHAPOFRNSA-N 0 0 687.771 5.482 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 ZINC000408733287 1071573327 /nfs/dbraw/zinc/57/33/27/1071573327.db2.gz WZPCREGRXILSDE-GXBVYBDKSA-N 0 0 576.561 5.287 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732908 1071575342 /nfs/dbraw/zinc/57/53/42/1071575342.db2.gz ARFCAQMXNZIWBB-QJWUKVPRSA-N 0 0 831.810 5.838 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733018 1071576731 /nfs/dbraw/zinc/57/67/31/1071576731.db2.gz CYLBGUOFWDRMRY-LHJNOJRUSA-N 0 0 725.006 7.506 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@@H]2c1ccccc1 ZINC000408732374 1071578226 /nfs/dbraw/zinc/57/82/26/1071578226.db2.gz QIBGKYGNJUNOOG-COMWGTSQSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732524 1071578244 /nfs/dbraw/zinc/57/82/44/1071578244.db2.gz WHAPXMGDHODFGJ-USBYOSQFSA-N 0 0 780.812 6.289 40 5 KKBBRN O=c1c2ccc3c(=O)n(-c4cc(Cl)ccc4Cl)c(=O)c4ccc(c(=O)n1-c1cc(Cl)ccc1Cl)c2c34 ZINC000408732424 1071578668 /nfs/dbraw/zinc/57/86/68/1071578668.db2.gz RFXSXCMHSNXGQT-UHFFFAOYSA-N 0 0 556.188 5.658 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408731003 1071583624 /nfs/dbraw/zinc/58/36/24/1071583624.db2.gz XQGIIDWFJMKUOM-HQNZAIDJSA-N 0 0 734.614 7.251 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730994 1071583653 /nfs/dbraw/zinc/58/36/53/1071583653.db2.gz XLUOLTZLKMOZMX-PRLWALMFSA-N 0 0 660.502 5.989 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730916 1071584651 /nfs/dbraw/zinc/58/46/51/1071584651.db2.gz VTXNYMXYBUWSFL-SUAMDDGLSA-N 0 0 557.628 5.090 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)C=C1c3c(ccc4ccccc43)OC(=O)[C@@H]12 ZINC000408730735 1071585481 /nfs/dbraw/zinc/58/54/81/1071585481.db2.gz HLWNVNFYYGWMFE-DLMOMKDTSA-N 0 0 550.954 5.923 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730426 1071586983 /nfs/dbraw/zinc/58/69/83/1071586983.db2.gz QTSZAGGNPMDDCZ-DDIUQFJASA-N 0 0 621.671 5.546 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730463 1071586987 /nfs/dbraw/zinc/58/69/87/1071586987.db2.gz REGSOZAVAUVZKB-UPWSPCOFSA-N 0 0 661.048 5.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl ZINC000408990599 1071587747 /nfs/dbraw/zinc/58/77/47/1071587747.db2.gz LCYUJWSLMBISGG-WCNLKWBDSA-N 0 0 673.581 6.367 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408990327 1071590253 /nfs/dbraw/zinc/59/02/53/1071590253.db2.gz KOTGHRYKUGHDBV-UHFFFAOYSA-N 0 0 660.202 8.908 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408729565 1071591411 /nfs/dbraw/zinc/59/14/11/1071591411.db2.gz CKFBTGBUBSIFIS-DNXAZHTDSA-N 0 0 735.815 6.381 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729623 1071591784 /nfs/dbraw/zinc/59/17/84/1071591784.db2.gz BPHKVUKOWVODOC-RIFKOAFWSA-N 0 0 651.697 5.262 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000408729286 1071593107 /nfs/dbraw/zinc/59/31/07/1071593107.db2.gz AUQOFQBWYHQPJG-UQMGHXSLSA-N 0 0 546.535 5.278 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729166 1071593887 /nfs/dbraw/zinc/59/38/87/1071593887.db2.gz AYKCECHLYAMNRH-HHHXNRCGSA-N 0 0 531.565 5.681 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729215 1071593917 /nfs/dbraw/zinc/59/39/17/1071593917.db2.gz CXGPYZPWVAQLHI-ZJTZAHLKSA-N 0 0 661.048 5.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729057 1071594826 /nfs/dbraw/zinc/59/48/26/1071594826.db2.gz CHDBQWJHJKSVLT-PRLWALMFSA-N 0 0 707.502 5.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739560 1071603250 /nfs/dbraw/zinc/60/32/50/1071603250.db2.gz XQGJLJCTYBIEOQ-WXKAHTKJSA-N 0 0 649.725 5.837 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408988500 1071605184 /nfs/dbraw/zinc/60/51/84/1071605184.db2.gz QZORPWIRNZZGDM-FABFSAKGSA-N 0 0 869.475 6.632 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](Cc4ccc([N+](=O)[O-])cc4)NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 ZINC000408738875 1071606042 /nfs/dbraw/zinc/60/60/42/1071606042.db2.gz WOSLMTNGZIGCHJ-JGCGQSQUSA-N 0 0 626.738 7.678 40 5 KKBBRN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000408738828 1071607774 /nfs/dbraw/zinc/60/77/74/1071607774.db2.gz WBJIBCXBXLFVBA-NDEPHWFRSA-N 0 0 507.590 5.710 40 5 KKBBRN CC(C)c1cc(Br)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738644 1071608237 /nfs/dbraw/zinc/60/82/37/1071608237.db2.gz TWVNTMRSOLPMNP-XMMPIXPASA-N 0 0 540.414 5.957 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408997225 1071614451 /nfs/dbraw/zinc/61/44/51/1071614451.db2.gz MCMNUOMGIJSIFJ-UPWSPCOFSA-N 0 0 664.534 5.057 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000409003518 1071636649 /nfs/dbraw/zinc/63/66/49/1071636649.db2.gz SLDHDNOMPPHSOB-NDEPHWFRSA-N 0 0 544.604 5.906 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409003253 1071638081 /nfs/dbraw/zinc/63/80/81/1071638081.db2.gz YVQDXIXWKFQYOU-WGJPBTIMSA-N 0 0 694.747 6.266 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408755843 1071641511 /nfs/dbraw/zinc/64/15/11/1071641511.db2.gz POPUADYJMHPVER-XFPFAXQNSA-N 0 0 707.761 5.449 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755923 1071642055 /nfs/dbraw/zinc/64/20/55/1071642055.db2.gz GJGVJFBLQRVBGZ-UHAPOFRNSA-N 0 0 665.749 5.312 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408755735 1071642604 /nfs/dbraw/zinc/64/26/04/1071642604.db2.gz FDKWZTXBPSPCOG-ZSXMQSLNSA-N 0 0 631.710 5.823 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] ZINC000408755734 1071642804 /nfs/dbraw/zinc/64/28/04/1071642804.db2.gz MQIHOUFHZOPPAL-ISZRBDKASA-N 0 0 635.723 5.303 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc65)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755746 1071643267 /nfs/dbraw/zinc/64/32/67/1071643267.db2.gz FDPLUMPSUQLIMO-NSFGRKQPSA-N 0 0 665.727 6.608 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001658 1071644617 /nfs/dbraw/zinc/64/46/17/1071644617.db2.gz QBFGNGPEQYGYCL-LHOSBTIMSA-N 0 0 720.760 6.676 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000409000887 1071648220 /nfs/dbraw/zinc/64/82/20/1071648220.db2.gz NOXXQBVVIOGJHV-UHFFFAOYSA-N 0 0 514.969 6.792 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999660 1071653653 /nfs/dbraw/zinc/65/36/53/1071653653.db2.gz XENPNJLEYNUDEH-NXYYLBPMSA-N 0 0 821.569 7.670 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408753761 1071655231 /nfs/dbraw/zinc/65/52/31/1071655231.db2.gz CKHWLCAOZBCTCO-HZHHUVPKSA-N 0 0 727.580 6.419 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998854 1071657840 /nfs/dbraw/zinc/65/78/40/1071657840.db2.gz QRKCBZZOJPALGU-VKSQQWFDSA-N 0 0 787.601 6.324 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408997457 1071663823 /nfs/dbraw/zinc/66/38/23/1071663823.db2.gz GKYWLTXRPIDAIH-CBYYHRJHSA-N 0 0 608.470 5.037 40 5 KKBBRN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408750969 1071673296 /nfs/dbraw/zinc/67/32/96/1071673296.db2.gz URKLCVDJNZDQLP-UHFFFAOYSA-N 0 0 538.994 5.698 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1C ZINC000408749178 1071686810 /nfs/dbraw/zinc/68/68/10/1071686810.db2.gz FELXZTIMVHUDJS-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409011436 1071688438 /nfs/dbraw/zinc/68/84/38/1071688438.db2.gz GNYZPQWJAAAGRW-YZSQISJMSA-N 0 0 637.512 5.321 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408758376 1071705916 /nfs/dbraw/zinc/70/59/16/1071705916.db2.gz ZAXGIHIBKPKBGZ-KFOJKGMOSA-N 0 0 589.673 6.112 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1cccc2ccccc21)C3=O ZINC000408758008 1071707267 /nfs/dbraw/zinc/70/72/67/1071707267.db2.gz UGGHODOXZPEUSC-UHFFFAOYSA-N 0 0 537.369 7.440 40 5 KKBBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000409025641 1071708101 /nfs/dbraw/zinc/70/81/01/1071708101.db2.gz VMEZRYYXTJYVIE-UHFFFAOYSA-N 0 0 517.563 5.251 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C ZINC000408757889 1071708863 /nfs/dbraw/zinc/70/88/63/1071708863.db2.gz RQCCYIDWKSICBI-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1C ZINC000408757902 1071709183 /nfs/dbraw/zinc/70/91/83/1071709183.db2.gz SBHYRRGCZKDPCZ-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(N(C)C)cc1)C3=O ZINC000408757461 1071712082 /nfs/dbraw/zinc/71/20/82/1071712082.db2.gz NPZYYXQTUURWBZ-UHFFFAOYSA-N 0 0 530.378 6.353 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409024332 1071712239 /nfs/dbraw/zinc/71/22/39/1071712239.db2.gz QQEYPBJNRATJCA-FSJBWODESA-N 0 0 609.433 5.175 40 5 KKBBRN O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000409023748 1071714123 /nfs/dbraw/zinc/71/41/23/1071714123.db2.gz OKZOEOAWSLYEJL-UHFFFAOYSA-N 0 0 533.496 6.425 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408766368 1071714558 /nfs/dbraw/zinc/71/45/58/1071714558.db2.gz CPKPKZLRRAFZFW-VNOBABJFSA-N 0 0 646.681 5.723 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408767129 1071715871 /nfs/dbraw/zinc/71/58/71/1071715871.db2.gz DRCBNEARZHDCGN-FCVOFCDTSA-N 0 0 600.483 6.794 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408766901 1071716746 /nfs/dbraw/zinc/71/67/46/1071716746.db2.gz WPIQADFWZLNLRO-MQCBVOCZSA-N 0 0 708.705 5.562 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)sc2=N1 ZINC000409037226 1071736992 /nfs/dbraw/zinc/73/69/92/1071736992.db2.gz SSGXMMLDFUDJHY-LMSRTUJASA-N 0 0 624.502 5.592 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037236 1071737241 /nfs/dbraw/zinc/73/72/41/1071737241.db2.gz MGQZAFMHBWKWCK-RIFKOAFWSA-N 0 0 766.667 6.243 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408767291 1071740775 /nfs/dbraw/zinc/74/07/75/1071740775.db2.gz FNRSQYZDONAFJD-IZBTWGKQSA-N 0 0 766.433 5.714 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770519 1071742453 /nfs/dbraw/zinc/74/24/53/1071742453.db2.gz YLFXSXMYGCGFFF-AUPFZTMHSA-N 0 0 899.352 6.432 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770407 1071743004 /nfs/dbraw/zinc/74/30/04/1071743004.db2.gz XCFCYASOMHAYCZ-FATJQOLTSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770461 1071743858 /nfs/dbraw/zinc/74/38/58/1071743858.db2.gz XTTCPMLPMXVQDW-BHFPBWTASA-N 0 0 729.005 5.719 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408770034 1071745087 /nfs/dbraw/zinc/74/50/87/1071745087.db2.gz RYKZVFPCJDRINH-XJNHXSSVSA-N 0 0 704.786 5.436 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408776581 1071748432 /nfs/dbraw/zinc/74/84/32/1071748432.db2.gz WIAMTWYGHQFTII-MDINZUHSSA-N 0 0 768.686 7.317 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408776580 1071748589 /nfs/dbraw/zinc/74/85/89/1071748589.db2.gz WIAMTWYGHQFTII-IQPMGOHCSA-N 0 0 768.686 7.317 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)sc2=N1 ZINC000409035649 1071750154 /nfs/dbraw/zinc/75/01/54/1071750154.db2.gz JWEBZVNONHUALB-FSIJRYPJSA-N 0 0 759.284 8.273 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000409034848 1071755948 /nfs/dbraw/zinc/75/59/48/1071755948.db2.gz IGJKPDOSJGBVHN-DXUGRCAZSA-N 0 0 736.641 6.236 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034842 1071755958 /nfs/dbraw/zinc/75/59/58/1071755958.db2.gz OHVSNOWSOATKGT-FZEVDNDPSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033165 1071772721 /nfs/dbraw/zinc/77/27/21/1071772721.db2.gz NGFAVQRPASBNHZ-BXMULHQWSA-N 0 0 712.608 6.388 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(SCc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409032877 1071777066 /nfs/dbraw/zinc/77/70/66/1071777066.db2.gz JRCPGQWVAJZWBC-WOSHRIRTSA-N 0 0 621.740 6.152 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032697 1071777603 /nfs/dbraw/zinc/77/76/03/1071777603.db2.gz MOYQQNXIVRLABL-XDYZZPCYSA-N 0 0 813.667 6.085 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408771209 1071782235 /nfs/dbraw/zinc/78/22/35/1071782235.db2.gz GBILSXXEJNHQOD-KEPJHFNWSA-N 0 0 584.028 6.279 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409032055 1071782584 /nfs/dbraw/zinc/78/25/84/1071782584.db2.gz IADHPFFKVXSKKE-XQNWCSQWSA-N 0 0 725.561 5.289 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408771065 1071783258 /nfs/dbraw/zinc/78/32/58/1071783258.db2.gz FHAHJDBKMCMBFN-DAIZXWHWSA-N 0 0 693.803 6.153 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409031598 1071785984 /nfs/dbraw/zinc/78/59/84/1071785984.db2.gz HKXVRMKKKWCDAF-GVMLUORFSA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031865 1071786163 /nfs/dbraw/zinc/78/61/63/1071786163.db2.gz BSOUROQYKZMKQQ-LMWPEEHHSA-N 0 0 801.068 5.652 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)c1 ZINC000408770116 1071787240 /nfs/dbraw/zinc/78/72/40/1071787240.db2.gz SXAGTBJUZREEBM-NBQDTTAVSA-N 0 0 663.668 5.491 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409031128 1071792100 /nfs/dbraw/zinc/79/21/00/1071792100.db2.gz GJUARHCTRMCQHF-YNMQQHPQSA-N 0 0 634.110 5.338 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769490 1071793309 /nfs/dbraw/zinc/79/33/09/1071793309.db2.gz MXNJHHGCTFOZCS-RIFKOAFWSA-N 0 0 758.603 5.859 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 ZINC000408769237 1071793749 /nfs/dbraw/zinc/79/37/49/1071793749.db2.gz MCSNBBROFSBRQS-PKYOQBLNSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409030729 1071794214 /nfs/dbraw/zinc/79/42/14/1071794214.db2.gz FKSPRNFOMDEKND-LCQSEVKBSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOc1cc(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408768969 1071796172 /nfs/dbraw/zinc/79/61/72/1071796172.db2.gz NDPRKJZXRJYHDL-LKWZWFHSSA-N 0 0 631.492 6.339 40 5 KKBBRN O=c1/c(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408767538 1071808644 /nfs/dbraw/zinc/80/86/44/1071808644.db2.gz MGLUNXWNJLZLMO-FQWZWQHVSA-N 0 0 603.685 5.847 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408782328 1071811813 /nfs/dbraw/zinc/81/18/13/1071811813.db2.gz HBNZXRBOLGNKIO-RWTNITNYSA-N 0 0 719.433 5.872 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000409028572 1071812023 /nfs/dbraw/zinc/81/20/23/1071812023.db2.gz PCFQOCUUNLXNOW-UHFFFAOYSA-N 0 0 536.009 6.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045493 1071824345 /nfs/dbraw/zinc/82/43/45/1071824345.db2.gz PSJKVCYVYDHFRQ-PIXWUVMMSA-N 0 0 638.098 5.416 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408778366 1071837629 /nfs/dbraw/zinc/83/76/29/1071837629.db2.gz SGDJQTBSZZOOST-ARLGEPFESA-N 0 0 617.465 5.949 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 ZINC000408787062 1071845260 /nfs/dbraw/zinc/84/52/60/1071845260.db2.gz QGJJZAUPKVNGMY-KFOJKGMOSA-N 0 0 697.169 6.032 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043706 1071858280 /nfs/dbraw/zinc/85/82/80/1071858280.db2.gz ZESJABIVCACWOL-CDWRSTBESA-N 0 0 791.504 7.151 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042746 1071866067 /nfs/dbraw/zinc/86/60/67/1071866067.db2.gz XPHFSHNGKWXDLK-QEEORQGDSA-N 0 0 801.068 5.652 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408787290 1071876225 /nfs/dbraw/zinc/87/62/25/1071876225.db2.gz WPQNSNBMXPKAMG-AOLPSBPOSA-N 0 0 619.335 6.861 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409042166 1071872936 /nfs/dbraw/zinc/87/29/36/1071872936.db2.gz BSDPZPJTIMRNHV-CRCYZHLCSA-N 0 0 608.072 5.407 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409041021 1071884588 /nfs/dbraw/zinc/88/45/88/1071884588.db2.gz YUVMMZZHCXKVRV-FSEOGBMLSA-N 0 0 676.962 6.716 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(C)C2=S)cc1 ZINC000409040929 1071886803 /nfs/dbraw/zinc/88/68/03/1071886803.db2.gz ZBWLGXJPXYKTHO-UCQKPKSFSA-N 0 0 554.024 5.839 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)sc2=N1 ZINC000409038976 1071903591 /nfs/dbraw/zinc/90/35/91/1071903591.db2.gz GBUPPRUBNUGRNH-RISWYLRJSA-N 0 0 624.502 5.592 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408806769 1071901865 /nfs/dbraw/zinc/90/18/65/1071901865.db2.gz BSBJJNRKNNPKIW-FQWZWQHVSA-N 0 0 630.053 5.896 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 ZINC000408806784 1071902619 /nfs/dbraw/zinc/90/26/19/1071902619.db2.gz BGESTGXDUCSPBC-NDENLUEZSA-N 0 0 684.249 6.624 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038481 1071906813 /nfs/dbraw/zinc/90/68/13/1071906813.db2.gz VOSRFNYUVFMGDV-GWRYVSOYSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048882 1071914085 /nfs/dbraw/zinc/91/40/85/1071914085.db2.gz XPRIXQIEYPRXGG-KDDCWKTLSA-N 0 0 796.649 5.007 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000409054502 1071917330 /nfs/dbraw/zinc/91/73/30/1071917330.db2.gz AQTBOUXOCVISPO-MTJSOVHGSA-N 0 0 501.347 6.722 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409056058 1071924128 /nfs/dbraw/zinc/92/41/28/1071924128.db2.gz DRFLVIARFUEFBG-XKZIYDEJSA-N 0 0 572.426 5.628 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409055825 1071925991 /nfs/dbraw/zinc/92/59/91/1071925991.db2.gz FJFZOTWFISVTQC-MTJSOVHGSA-N 0 0 714.275 6.633 40 5 KKBBRN CC(C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409054592 1071933116 /nfs/dbraw/zinc/93/31/16/1071933116.db2.gz ABBSOEUPQKOGDB-MFOYZWKCSA-N 0 0 556.232 6.144 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409050557 1071957346 /nfs/dbraw/zinc/95/73/46/1071957346.db2.gz WYKSLJBZRRCEFU-CHFLVDFXSA-N 0 0 786.866 6.371 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409058686 1071985976 /nfs/dbraw/zinc/98/59/76/1071985976.db2.gz VBRCEYUNJMWCJD-XKZIYDEJSA-N 0 0 541.379 6.186 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409060841 1072031739 /nfs/dbraw/zinc/03/17/39/1072031739.db2.gz YOPWCYMXLLLLEX-WQRHYEAKSA-N 0 0 664.259 6.219 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409059727 1072038846 /nfs/dbraw/zinc/03/88/46/1072038846.db2.gz NSVMNSZCZZGCLR-MTJSOVHGSA-N 0 0 620.275 6.948 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409074692 1072066068 /nfs/dbraw/zinc/06/60/68/1072066068.db2.gz WUOPFBLPIBCFLI-IWIPYMOSSA-N 0 0 610.486 5.646 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409068001 1072114312 /nfs/dbraw/zinc/11/43/12/1072114312.db2.gz FGRDAABCFZBBQP-SRZZPIQSSA-N 0 0 699.214 5.615 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409080236 1072124106 /nfs/dbraw/zinc/12/41/06/1072124106.db2.gz MIHBUVUDCZXPSP-PLMBTIQCSA-N 0 0 857.464 6.648 40 5 KKBBRN COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409080029 1072127873 /nfs/dbraw/zinc/12/78/73/1072127873.db2.gz KQXCELQEFOYXOH-BKUYFWCQSA-N 0 0 560.470 5.677 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409079602 1072133614 /nfs/dbraw/zinc/13/36/14/1072133614.db2.gz LDVRIBWRWCJWLZ-ZGOFBEGVSA-N 0 0 666.575 5.629 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409078458 1072146524 /nfs/dbraw/zinc/14/65/24/1072146524.db2.gz IEIYUFLYSKCCIP-NBQDTTAVSA-N 0 0 620.687 5.668 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409086297 1072168693 /nfs/dbraw/zinc/16/86/93/1072168693.db2.gz QHFKENGAZFKBIB-UQDCTOEPSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084620 1072186408 /nfs/dbraw/zinc/18/64/08/1072186408.db2.gz WWHUEALLIBORHG-ZJTZAHLKSA-N 0 0 680.602 5.937 40 5 KKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccccc1F ZINC000409084489 1072188513 /nfs/dbraw/zinc/18/85/13/1072188513.db2.gz CXFHESFYQVZWLR-SRZZPIQSSA-N 0 0 516.312 5.713 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409083392 1072202122 /nfs/dbraw/zinc/20/21/22/1072202122.db2.gz OFFYODPONWEDDM-PYCBVSLESA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409082433 1072210911 /nfs/dbraw/zinc/21/09/11/1072210911.db2.gz MASKUUZLVPNARS-OGMUYLFESA-N 0 0 605.672 5.439 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000409082358 1072213388 /nfs/dbraw/zinc/21/33/88/1072213388.db2.gz IZBFDKDFOQIEJB-JLHDDXNDSA-N 0 0 606.660 5.359 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081080 1072228181 /nfs/dbraw/zinc/22/81/81/1072228181.db2.gz GDUGLADQCSTNFZ-ITIZVALFSA-N 0 0 658.914 5.391 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409316645 1072229092 /nfs/dbraw/zinc/22/90/92/1072229092.db2.gz LUDBIUFGUQXFFC-UHFFFAOYSA-N 0 0 552.834 5.149 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095436 1072239672 /nfs/dbraw/zinc/23/96/72/1072239672.db2.gz BFAWWFFQNUDUMP-ZPMAPHDVSA-N 0 0 686.787 5.007 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409095049 1072242535 /nfs/dbraw/zinc/24/25/35/1072242535.db2.gz BCTQXRKQHCLHTG-KEBDBYFISA-N 0 0 558.772 5.696 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094669 1072245911 /nfs/dbraw/zinc/24/59/11/1072245911.db2.gz FTECEZDZCLWFGO-OGMUYLFESA-N 0 0 661.180 5.643 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409093867 1072249766 /nfs/dbraw/zinc/24/97/66/1072249766.db2.gz BDWALRQNVQTVJK-YDZHTSKRSA-N 0 0 656.433 5.017 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409093549 1072251205 /nfs/dbraw/zinc/25/12/05/1072251205.db2.gz APNFIAHGQCKDIU-CVXGXVHTSA-N 0 0 614.749 5.172 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093105 1072256121 /nfs/dbraw/zinc/25/61/21/1072256121.db2.gz XNGJGAAHUMMUDW-PBKKUYBVSA-N 0 0 702.967 5.790 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409100697 1072318158 /nfs/dbraw/zinc/31/81/58/1072318158.db2.gz WDKBXBGPNZICME-BYRCOYNWSA-N 0 0 773.915 8.298 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 ZINC000409099540 1072324999 /nfs/dbraw/zinc/32/49/99/1072324999.db2.gz OGOJMWZCNPLZMK-MTJSOVHGSA-N 0 0 572.393 5.691 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409100238 1072320508 /nfs/dbraw/zinc/32/05/08/1072320508.db2.gz URJQYPGVUKELGQ-NPNXEGEYSA-N 0 0 679.799 5.340 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098209 1072332625 /nfs/dbraw/zinc/33/26/25/1072332625.db2.gz KIMMHMFORPKNJL-QZVQSRICSA-N 0 0 699.254 6.978 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097928 1072334527 /nfs/dbraw/zinc/33/45/27/1072334527.db2.gz HTXJAYNGZKSIRY-CJIXEESDSA-N 0 0 682.180 5.104 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409097568 1072337254 /nfs/dbraw/zinc/33/72/54/1072337254.db2.gz MOICAJCYKUKHLG-NVMNQCDNSA-N 0 0 519.273 6.448 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409097372 1072337714 /nfs/dbraw/zinc/33/77/14/1072337714.db2.gz GLWVDUPLGKEUSL-GSTVVXAASA-N 0 0 635.746 5.023 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409106620 1072343030 /nfs/dbraw/zinc/34/30/30/1072343030.db2.gz OHLGLJCWSQSGHV-DTDQMKFYSA-N 0 0 636.730 5.742 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409106385 1072343428 /nfs/dbraw/zinc/34/34/28/1072343428.db2.gz NGJIZOKWOBPXFC-LCQSEVKBSA-N 0 0 681.565 5.052 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409106007 1072346608 /nfs/dbraw/zinc/34/66/08/1072346608.db2.gz MBFPGQAWFQBGJQ-LRUGRNCASA-N 0 0 686.171 5.447 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105075 1072351710 /nfs/dbraw/zinc/35/17/10/1072351710.db2.gz GCKCJGNBZSBHJR-DFXMODJXSA-N 0 0 652.729 5.442 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409103743 1072358345 /nfs/dbraw/zinc/35/83/45/1072358345.db2.gz BRODAKNSSHKFIK-UAMLYEQYSA-N 0 0 647.153 5.253 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103465 1072360016 /nfs/dbraw/zinc/36/00/16/1072360016.db2.gz WOWMZFPOFLKZNS-XNENXQGPSA-N 0 0 664.809 6.325 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000409332181 1072364155 /nfs/dbraw/zinc/36/41/55/1072364155.db2.gz HAZCVPFKZUGZLC-NKKHJSFDSA-N 0 0 546.535 5.278 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409116872 1072371809 /nfs/dbraw/zinc/37/18/09/1072371809.db2.gz MHBOVIRQFNTSPC-UHFFFAOYSA-N 0 0 558.827 5.706 40 5 KKBBRN CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409116675 1072373008 /nfs/dbraw/zinc/37/30/08/1072373008.db2.gz JWQXORKZGYVRDM-UHFFFAOYSA-N 0 0 501.377 6.346 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000409116430 1072373054 /nfs/dbraw/zinc/37/30/54/1072373054.db2.gz KFOJLYWEMNGWHI-UCQKPKSFSA-N 0 0 507.384 6.480 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409330650 1072375510 /nfs/dbraw/zinc/37/55/10/1072375510.db2.gz LJCNKOWZVFDVPE-FMCGGJTJSA-N 0 0 641.456 5.058 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1Cc1ccccc1 ZINC000409115752 1072376457 /nfs/dbraw/zinc/37/64/57/1072376457.db2.gz KIGLYCKIHPBFQG-UUWRZZSWSA-N 0 0 590.079 8.189 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)O1 ZINC000409114880 1072379483 /nfs/dbraw/zinc/37/94/83/1072379483.db2.gz JSJMUZPSUPWJGI-XMMPIXPASA-N 0 0 579.403 6.002 40 5 KKBBRN Cc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409113861 1072383389 /nfs/dbraw/zinc/38/33/89/1072383389.db2.gz GBYUDRZVEZUKAN-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409113574 1072384281 /nfs/dbraw/zinc/38/42/81/1072384281.db2.gz HLUHKXXBZVCEAE-UHFFFAOYSA-N 0 0 573.933 5.118 40 5 KKBBRN Cc1ccccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112432 1072389812 /nfs/dbraw/zinc/38/98/12/1072389812.db2.gz CQTOBJYFDQQYJK-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000409111686 1072391607 /nfs/dbraw/zinc/39/16/07/1072391607.db2.gz DMQDBVFAQQQDMU-DHUJRADRSA-N 0 0 699.001 8.960 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1Cc1ccccc1 ZINC000409109635 1072399471 /nfs/dbraw/zinc/39/94/71/1072399471.db2.gz IMHSJBIWKIOQIM-UUWRZZSWSA-N 0 0 624.524 8.842 40 5 KKBBRN CC(C)CNC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409109378 1072400324 /nfs/dbraw/zinc/40/03/24/1072400324.db2.gz CNLSCRORQJHJNC-MGBGTMOVSA-N 0 0 578.669 6.107 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409327390 1072402962 /nfs/dbraw/zinc/40/29/62/1072402962.db2.gz JJTRWNFSLBWYNL-YDZHTSKRSA-N 0 0 691.354 6.773 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108609 1072406303 /nfs/dbraw/zinc/40/63/03/1072406303.db2.gz XDIZBTXKIUMROT-LAUBZIAYSA-N 0 0 649.194 5.825 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409108602 1072406400 /nfs/dbraw/zinc/40/64/00/1072406400.db2.gz XBDYZVRRYJOMKB-YOWYGEOISA-N 0 0 663.781 5.908 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108310 1072408408 /nfs/dbraw/zinc/40/84/08/1072408408.db2.gz ZVRJXWDGCVDGIP-NLMYKXADSA-N 0 0 697.795 5.604 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346525 1072413817 /nfs/dbraw/zinc/41/38/17/1072413817.db2.gz OSPGUORNOGTRQI-JBDHCHCMSA-N 0 0 648.535 5.356 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000409123080 1072418492 /nfs/dbraw/zinc/41/84/92/1072418492.db2.gz DQLXDJCNPOWTII-UHFFFAOYSA-N 0 0 517.563 5.251 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409121915 1072424504 /nfs/dbraw/zinc/42/45/04/1072424504.db2.gz VWJRGTXTWNMODZ-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409345454 1072424716 /nfs/dbraw/zinc/42/47/16/1072424716.db2.gz ITJCHHSMBQWDQB-UHFFFAOYSA-N 0 0 522.768 5.283 40 5 KKBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409121176 1072427691 /nfs/dbraw/zinc/42/76/91/1072427691.db2.gz WVJSYCIFSJXHLV-DTQASYIRSA-N 0 0 600.241 5.297 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 ZINC000409120629 1072430049 /nfs/dbraw/zinc/43/00/49/1072430049.db2.gz UWHNRPNRPJIUES-XKZIYDEJSA-N 0 0 507.384 6.480 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409344667 1072430122 /nfs/dbraw/zinc/43/01/22/1072430122.db2.gz GGLVGVKGWFCANZ-XKZIYDEJSA-N 0 0 584.473 6.492 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)O1 ZINC000409120269 1072431138 /nfs/dbraw/zinc/43/11/38/1072431138.db2.gz SVVLFCYTYQQQIE-DEOSSOPVSA-N 0 0 534.952 5.893 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409344207 1072433430 /nfs/dbraw/zinc/43/34/30/1072433430.db2.gz IBFJTEZRBQCGHJ-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000409125559 1072459520 /nfs/dbraw/zinc/45/95/20/1072459520.db2.gz AXUCAPDQKWOWGI-MHZLTWQESA-N 0 0 517.507 6.975 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409340637 1072465351 /nfs/dbraw/zinc/46/53/51/1072465351.db2.gz ABJKJOMCMVRRRH-HXUWFJFHSA-N 0 0 551.456 5.371 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123884 1072469070 /nfs/dbraw/zinc/46/90/70/1072469070.db2.gz FJTGCFSSQAXQOG-OAQYLSRUSA-N 0 0 531.038 5.026 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123742 1072470260 /nfs/dbraw/zinc/47/02/60/1072470260.db2.gz HTAKJJQONUXYMI-DEOSSOPVSA-N 0 0 532.626 5.217 40 5 KKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CCCc1ccccc1 ZINC000409137275 1072473603 /nfs/dbraw/zinc/47/36/03/1072473603.db2.gz WJRDWUBGAJZBQT-STZFKDTASA-N 0 0 513.369 6.286 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409338799 1072480850 /nfs/dbraw/zinc/48/08/50/1072480850.db2.gz BIJKMHQQCSIIFN-JVWAILMASA-N 0 0 575.643 6.371 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 ZINC000409135679 1072484183 /nfs/dbraw/zinc/48/41/83/1072484183.db2.gz QVRCBZISORIPPK-LFVJCYFKSA-N 0 0 553.434 6.605 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 ZINC000409337940 1072489458 /nfs/dbraw/zinc/48/94/58/1072489458.db2.gz ZXEDUQSPEQKKPM-UHFFFAOYSA-N 0 0 564.645 5.230 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409357108 1072498389 /nfs/dbraw/zinc/49/83/89/1072498389.db2.gz IXAVNHLVTJLPSK-NRFANRHFSA-N 0 0 565.483 5.679 40 5 KKBBRN CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133650 1072498849 /nfs/dbraw/zinc/49/88/49/1072498849.db2.gz MAVIWHNZQHLNFQ-NRFANRHFSA-N 0 0 636.516 5.286 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409355138 1072510143 /nfs/dbraw/zinc/51/01/43/1072510143.db2.gz JEWUOHIXHHVCKM-NRFANRHFSA-N 0 0 545.065 5.416 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409129107 1072522403 /nfs/dbraw/zinc/52/24/03/1072522403.db2.gz KBWCSJZWNUULNE-OVVQPSECSA-N 0 0 511.603 6.575 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409144618 1072532759 /nfs/dbraw/zinc/53/27/59/1072532759.db2.gz LIMANNOPUOJOCF-PBKKUYBVSA-N 0 0 726.631 5.044 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409144517 1072533983 /nfs/dbraw/zinc/53/39/83/1072533983.db2.gz LKMXLVMABGAIEB-ZGOFBEGVSA-N 0 0 649.198 5.223 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409144238 1072536152 /nfs/dbraw/zinc/53/61/52/1072536152.db2.gz DXTUYLZHLPRGIY-ZMOGYAJESA-N 0 0 575.481 6.952 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409351058 1072538119 /nfs/dbraw/zinc/53/81/19/1072538119.db2.gz XGAJGOJFPIGVID-WQNUKSJVSA-N 0 0 713.006 6.018 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409143792 1072539169 /nfs/dbraw/zinc/53/91/69/1072539169.db2.gz JFCSMXDEDSLVBQ-ITNPZBTBSA-N 0 0 664.769 5.349 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142966 1072544407 /nfs/dbraw/zinc/54/44/07/1072544407.db2.gz SJTGQYSSMUCIQX-PIXWUVMMSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OCC ZINC000409142278 1072548127 /nfs/dbraw/zinc/54/81/27/1072548127.db2.gz XOUWWPWDQZUMLX-HKBQPEDESA-N 0 0 537.616 6.754 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409142109 1072550565 /nfs/dbraw/zinc/55/05/65/1072550565.db2.gz BGCOJSAQUXDITC-QHZSLAKNSA-N 0 0 710.632 5.424 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409140762 1072557680 /nfs/dbraw/zinc/55/76/80/1072557680.db2.gz SGYPDYUBECVUFT-CIAFOILYSA-N 0 0 610.324 7.315 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409347880 1072560480 /nfs/dbraw/zinc/56/04/80/1072560480.db2.gz NHAPXFJZSPHUTJ-RGVLZGJSSA-N 0 0 589.367 5.443 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C ZINC000409347978 1072561053 /nfs/dbraw/zinc/56/10/53/1072561053.db2.gz OAFVNTYKFLYBCQ-HXUWFJFHSA-N 0 0 551.456 5.196 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409139349 1072564622 /nfs/dbraw/zinc/56/46/22/1072564622.db2.gz CWXOBPIRNDKPJX-JAYSWQADSA-N 0 0 636.155 5.306 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409139346 1072564823 /nfs/dbraw/zinc/56/48/23/1072564823.db2.gz CWSKBDXWFKEVGR-CFEDROAVSA-N 0 0 649.754 5.402 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCCc1ccccc1 ZINC000409138638 1072568972 /nfs/dbraw/zinc/56/89/72/1072568972.db2.gz FVQWEKUGODGHAZ-HZHRSRAPSA-N 0 0 543.428 7.150 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409366712 1072573465 /nfs/dbraw/zinc/57/34/65/1072573465.db2.gz VGWPUNNSPNNRNT-LIUIRDFASA-N 0 0 890.321 7.110 40 5 KKBBRN CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409363649 1072588854 /nfs/dbraw/zinc/58/88/54/1072588854.db2.gz VEOZEPWNUXEXOO-UHFFFAOYSA-N 0 0 512.444 5.677 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409362314 1072595035 /nfs/dbraw/zinc/59/50/35/1072595035.db2.gz UURRPYPECQKIOM-IPAKXIGBSA-N 0 0 727.033 6.409 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409156413 1072595474 /nfs/dbraw/zinc/59/54/74/1072595474.db2.gz FSFHYNYKPCITNR-QFEZKATASA-N 0 0 526.574 5.581 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl ZINC000409154731 1072604023 /nfs/dbraw/zinc/60/40/23/1072604023.db2.gz OGGFVMDRMQRUFG-AUEPDCJTSA-N 0 0 728.883 7.674 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409153448 1072611954 /nfs/dbraw/zinc/61/19/54/1072611954.db2.gz LTTDHBKSXCGVOV-ROTLSHHCSA-N 0 0 690.108 5.185 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 ZINC000409153300 1072612409 /nfs/dbraw/zinc/61/24/09/1072612409.db2.gz HQIBONVJHONIJM-UFFVCSGVSA-N 0 0 640.365 6.983 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409152875 1072615822 /nfs/dbraw/zinc/61/58/22/1072615822.db2.gz LMJMYVUASDAEPK-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409151170 1072626127 /nfs/dbraw/zinc/62/61/27/1072626127.db2.gz AKGWPWCTWPTMBZ-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409150516 1072628881 /nfs/dbraw/zinc/62/88/81/1072628881.db2.gz CLGKGRJDYZCGIG-WSDLNYQXSA-N 0 0 571.533 6.698 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149748 1072633577 /nfs/dbraw/zinc/63/35/77/1072633577.db2.gz PJWIYYXZDHLHNG-JLHDDXNDSA-N 0 0 657.818 6.168 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409374614 1072636373 /nfs/dbraw/zinc/63/63/73/1072636373.db2.gz UZKMQFLQAPEIAY-XKZIYDEJSA-N 0 0 548.577 5.391 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl ZINC000409166010 1072651658 /nfs/dbraw/zinc/65/16/58/1072651658.db2.gz BUJRNIWDYAKEOL-MXAYSNPKSA-N 0 0 674.109 5.566 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409165281 1072655947 /nfs/dbraw/zinc/65/59/47/1072655947.db2.gz VVZRYXYTMXHZIV-SRZZPIQSSA-N 0 0 556.350 6.294 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl ZINC000409164781 1072657419 /nfs/dbraw/zinc/65/74/19/1072657419.db2.gz NUJGUVLKMSUCFQ-WSDLNYQXSA-N 0 0 585.978 5.369 40 5 KKBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409164272 1072660572 /nfs/dbraw/zinc/66/05/72/1072660572.db2.gz FWSJKCPIKHRHDL-GSASKQFNSA-N 0 0 679.751 6.210 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409163913 1072662116 /nfs/dbraw/zinc/66/21/16/1072662116.db2.gz ZLJYASQLDJITRV-SSDVNMTOSA-N 0 0 609.376 7.414 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1 ZINC000409163989 1072662146 /nfs/dbraw/zinc/66/21/46/1072662146.db2.gz AXZWLGBRPRZBEU-OAQYLSRUSA-N 0 0 551.654 5.003 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409163589 1072663125 /nfs/dbraw/zinc/66/31/25/1072663125.db2.gz UNHPXGPTADQZBM-FSJBWODESA-N 0 0 587.532 6.398 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409163518 1072664158 /nfs/dbraw/zinc/66/41/58/1072664158.db2.gz SPRGIFVZBGYNGR-WSDLNYQXSA-N 0 0 548.533 5.587 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409161872 1072673640 /nfs/dbraw/zinc/67/36/40/1072673640.db2.gz BMBOMRCCSJVMMH-WYMPLXKRSA-N 0 0 641.014 6.191 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409161960 1072674683 /nfs/dbraw/zinc/67/46/83/1072674683.db2.gz XRDPDIUPMCBTCM-WYMPLXKRSA-N 0 0 612.458 5.928 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCc2ccccc2C1 ZINC000409378353 1072675607 /nfs/dbraw/zinc/67/56/07/1072675607.db2.gz OOGSGHLVSMSPGQ-UUYOSTAYSA-N 0 0 523.954 5.129 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409161609 1072676238 /nfs/dbraw/zinc/67/62/38/1072676238.db2.gz NNGLLFDMVAIARK-ZWTGMXIPSA-N 0 0 693.763 5.131 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409161263 1072677698 /nfs/dbraw/zinc/67/76/98/1072677698.db2.gz ZYVNSCTUHHKHJM-UFFVCSGVSA-N 0 0 577.924 6.734 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409161160 1072678818 /nfs/dbraw/zinc/67/88/18/1072678818.db2.gz WYWHEFCRXOHMHR-OAQYLSRUSA-N 0 0 565.483 5.679 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409160869 1072680449 /nfs/dbraw/zinc/68/04/49/1072680449.db2.gz JQTWVOMUBYHUAU-QQXSKIMKSA-N 0 0 653.511 5.448 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409160291 1072684096 /nfs/dbraw/zinc/68/40/96/1072684096.db2.gz TUSLVXWDWKLHAZ-BHGWPJFGSA-N 0 0 680.013 6.920 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409159604 1072688045 /nfs/dbraw/zinc/68/80/45/1072688045.db2.gz RIOJIEJQGCAAQJ-QFEZKATASA-N 0 0 526.574 5.581 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409159151 1072690618 /nfs/dbraw/zinc/69/06/18/1072690618.db2.gz ZGZNEIULJAWRLP-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409158141 1072695981 /nfs/dbraw/zinc/69/59/81/1072695981.db2.gz NTMUOMASHZPFIM-XQNWCSQWSA-N 0 0 617.680 5.072 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409157408 1072699640 /nfs/dbraw/zinc/69/96/40/1072699640.db2.gz QTCKSGUZGRTADT-LGJNPRDNSA-N 0 0 708.067 7.700 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409167092 1072700173 /nfs/dbraw/zinc/70/01/73/1072700173.db2.gz HJJHWAUFQPKMPG-WYMPLXKRSA-N 0 0 612.458 5.928 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409384321 1072700263 /nfs/dbraw/zinc/70/02/63/1072700263.db2.gz AZLMCYJEQYIGGL-SRZZPIQSSA-N 0 0 558.952 5.452 40 5 KKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1 ZINC000409176845 1072706777 /nfs/dbraw/zinc/70/67/77/1072706777.db2.gz ZGGICASAULDJMT-ZXVVBBHZSA-N 0 0 513.575 5.883 40 5 KKBBRN COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000409176862 1072706886 /nfs/dbraw/zinc/70/68/86/1072706886.db2.gz ZMZJYWRJTAKYKT-HHHXNRCGSA-N 0 0 531.542 5.217 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000409176361 1072707206 /nfs/dbraw/zinc/70/72/06/1072707206.db2.gz LKWDPSULGXXSDF-JGCGQSQUSA-N 0 0 677.463 7.731 40 5 KKBBRN Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409176325 1072708089 /nfs/dbraw/zinc/70/80/89/1072708089.db2.gz KQNJRLKYRKJFAN-UHFFFAOYSA-N 0 0 639.831 7.496 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409176950 1072709405 /nfs/dbraw/zinc/70/94/05/1072709405.db2.gz BYYBQYOECWUDKA-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176134 1072713499 /nfs/dbraw/zinc/71/34/99/1072713499.db2.gz IDJRZTNXSJWSHQ-UHFFFAOYSA-N 0 0 714.005 6.507 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175466 1072716578 /nfs/dbraw/zinc/71/65/78/1072716578.db2.gz ZLSKCBOJKMAPPH-UHFFFAOYSA-N 0 0 624.159 6.939 40 5 KKBBRN CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409175188 1072717927 /nfs/dbraw/zinc/71/79/27/1072717927.db2.gz WZUAMRGCVWFDPJ-QFIPXVFZSA-N 0 0 669.879 5.173 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409175110 1072719253 /nfs/dbraw/zinc/71/92/53/1072719253.db2.gz QAPZVAWGJFCPMT-WYMPLXKRSA-N 0 0 664.014 7.301 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 ZINC000409174855 1072719271 /nfs/dbraw/zinc/71/92/71/1072719271.db2.gz PKEBHZSQYGKIAS-GZIVZEMBSA-N 0 0 666.384 6.572 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409173866 1072725099 /nfs/dbraw/zinc/72/50/99/1072725099.db2.gz OHHHIJURVGOTJQ-IWIPYMOSSA-N 0 0 517.563 5.411 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl ZINC000409173858 1072725158 /nfs/dbraw/zinc/72/51/58/1072725158.db2.gz KVHZDCWMUQGGBO-ZMOGYAJESA-N 0 0 596.017 5.679 40 5 KKBBRN CCc1cccc(C)c1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409173647 1072727331 /nfs/dbraw/zinc/72/73/31/1072727331.db2.gz NQGKFNBISDOQGC-UHFFFAOYSA-N 0 0 532.018 5.270 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409171516 1072739504 /nfs/dbraw/zinc/73/95/04/1072739504.db2.gz CTKDHJUNDSGIJR-RGVLZGJSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409387939 1072741354 /nfs/dbraw/zinc/74/13/54/1072741354.db2.gz YURSKGPAMBGMSR-FOKLQQMPSA-N 0 0 617.430 5.951 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409171313 1072741746 /nfs/dbraw/zinc/74/17/46/1072741746.db2.gz ZTGUENDHGHRPAF-SRZZPIQSSA-N 0 0 554.924 5.624 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409170430 1072746058 /nfs/dbraw/zinc/74/60/58/1072746058.db2.gz VQRFUSDHBHVYLK-ZMOGYAJESA-N 0 0 568.007 5.901 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409169468 1072749683 /nfs/dbraw/zinc/74/96/83/1072749683.db2.gz QZKUFIXBMXEBEC-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409169404 1072750735 /nfs/dbraw/zinc/75/07/35/1072750735.db2.gz QIUOFIOVEBDQSJ-WSDLNYQXSA-N 0 0 534.506 5.279 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3Br)C2=O)o1 ZINC000409401324 1072753880 /nfs/dbraw/zinc/75/38/80/1072753880.db2.gz SLQNKHNIWMSFCU-MFOYZWKCSA-N 0 0 620.796 5.071 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000409167745 1072758856 /nfs/dbraw/zinc/75/88/56/1072758856.db2.gz JMYZEHROWKRUAV-LJQANCHMSA-N 0 0 537.429 5.186 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000409184679 1072775443 /nfs/dbraw/zinc/77/54/43/1072775443.db2.gz ZESNSXSDSCCKKC-UHFFFAOYSA-N 0 0 544.903 5.250 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409184333 1072777253 /nfs/dbraw/zinc/77/72/53/1072777253.db2.gz XODXASMMYFVLIH-CIAFOILYSA-N 0 0 511.943 5.746 40 5 KKBBRN COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000409183013 1072785778 /nfs/dbraw/zinc/78/57/78/1072785778.db2.gz RHWNQRBAAZMDRK-MHZLTWQESA-N 0 0 531.542 5.217 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409183002 1072785810 /nfs/dbraw/zinc/78/58/10/1072785810.db2.gz QYRFOJDCMJKJRJ-SANMLTNESA-N 0 0 506.470 5.176 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409183025 1072786235 /nfs/dbraw/zinc/78/62/35/1072786235.db2.gz RMZSZYNGZHZDJQ-AREMUKBSSA-N 0 0 551.467 5.085 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1 ZINC000409412589 1072786983 /nfs/dbraw/zinc/78/69/83/1072786983.db2.gz UJNUWKDUOFHHKY-UHFFFAOYSA-N 0 0 509.975 5.549 40 5 KKBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409182227 1072792413 /nfs/dbraw/zinc/79/24/13/1072792413.db2.gz JJCKLVOLOUYJPU-HHHXNRCGSA-N 0 0 565.494 5.393 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182092 1072793410 /nfs/dbraw/zinc/79/34/10/1072793410.db2.gz IBTHBEYUSNKCSM-KAEGSSFASA-N 0 0 610.667 5.157 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409181978 1072793426 /nfs/dbraw/zinc/79/34/26/1072793426.db2.gz HGUMOMLXWZZPCJ-LSHDLFTRSA-N 0 0 598.977 5.941 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000409182011 1072793650 /nfs/dbraw/zinc/79/36/50/1072793650.db2.gz HNCYODBHZKNVRK-AREMUKBSSA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409411701 1072793981 /nfs/dbraw/zinc/79/39/81/1072793981.db2.gz KEODHBOBQCHZHQ-UHFFFAOYSA-N 0 0 560.817 5.695 40 5 KKBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181559 1072796498 /nfs/dbraw/zinc/79/64/98/1072796498.db2.gz CODUBCWPEBALIN-UHFFFAOYSA-N 0 0 562.512 5.168 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CCC(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000409181314 1072798904 /nfs/dbraw/zinc/79/89/04/1072798904.db2.gz AULQYTMQGHUQJG-MHZLTWQESA-N 0 0 529.574 5.913 40 5 KKBBRN Cc1cccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c1 ZINC000409180892 1072801007 /nfs/dbraw/zinc/80/10/07/1072801007.db2.gz WYUKJVBMQPVAEY-UHFFFAOYSA-N 0 0 508.486 5.853 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180847 1072801405 /nfs/dbraw/zinc/80/14/05/1072801405.db2.gz WLTQIAZXIBEUBB-BMQDUDSZSA-N 0 0 750.833 5.526 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c(C)c1 ZINC000409180949 1072801474 /nfs/dbraw/zinc/80/14/74/1072801474.db2.gz ZNVARGXENYUYEM-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409180546 1072802771 /nfs/dbraw/zinc/80/27/71/1072802771.db2.gz WVCWJWMFGOWDQZ-LJAQVGFWSA-N 0 0 536.584 6.926 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000409179825 1072807400 /nfs/dbraw/zinc/80/74/00/1072807400.db2.gz UABSICYWLSPQAW-LJAQVGFWSA-N 0 0 567.395 7.354 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000409179706 1072808745 /nfs/dbraw/zinc/80/87/45/1072808745.db2.gz RUYYSOZNMLEJBP-UHFFFAOYSA-N 0 0 504.804 5.425 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000409179508 1072809104 /nfs/dbraw/zinc/80/91/04/1072809104.db2.gz QZHHVWBOGGCLPB-UHFFFAOYSA-N 0 0 528.473 6.009 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409179386 1072810053 /nfs/dbraw/zinc/81/00/53/1072810053.db2.gz MCRRGVURIPWGJC-UUYOSTAYSA-N 0 0 618.045 5.008 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409179174 1072812311 /nfs/dbraw/zinc/81/23/11/1072812311.db2.gz QEPSTSZKOBANJD-UHFFFAOYSA-N 0 0 563.733 5.404 40 5 KKBBRN O=C(COC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409178769 1072813712 /nfs/dbraw/zinc/81/37/12/1072813712.db2.gz OLRMTRKUPOLMIL-UHFFFAOYSA-N 0 0 625.804 7.188 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl ZINC000409178509 1072816154 /nfs/dbraw/zinc/81/61/54/1072816154.db2.gz JAERGEYBBVZCBU-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409178368 1072816741 /nfs/dbraw/zinc/81/67/41/1072816741.db2.gz LKYRKOPPACMKOP-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409178472 1072817809 /nfs/dbraw/zinc/81/78/09/1072817809.db2.gz JZLPHRTVQWFPAH-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409178250 1072818322 /nfs/dbraw/zinc/81/83/22/1072818322.db2.gz LMHUEHQVGLVIAG-UHFFFAOYSA-N 0 0 512.518 6.070 40 5 KKBBRN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178086 1072818736 /nfs/dbraw/zinc/81/87/36/1072818736.db2.gz DXRQTCLRDPSERD-UHFFFAOYSA-N 0 0 562.372 6.768 40 5 KKBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409177760 1072820371 /nfs/dbraw/zinc/82/03/71/1072820371.db2.gz IJDCQJIYJXVAOY-UHFFFAOYSA-N 0 0 517.559 6.026 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177527 1072822472 /nfs/dbraw/zinc/82/24/72/1072822472.db2.gz BPFSGPXNUCKFNE-INJWXVQMSA-N 0 0 638.529 5.901 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409177427 1072823369 /nfs/dbraw/zinc/82/33/69/1072823369.db2.gz DUMXEDDPFMXXQL-BUVRLJJBSA-N 0 0 517.563 5.411 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409193245 1072824229 /nfs/dbraw/zinc/82/42/29/1072824229.db2.gz HWGGFXHLEGXKJG-YVBHXKDBSA-N 0 0 751.674 6.452 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409192477 1072826140 /nfs/dbraw/zinc/82/61/40/1072826140.db2.gz DDPNTMLHCZYOOG-NNAGEYCMSA-N 0 0 733.297 6.511 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409197053 1072827102 /nfs/dbraw/zinc/82/71/02/1072827102.db2.gz UXWNLOFWQPDQGP-NHDPSOOVSA-N 0 0 560.369 6.313 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409197278 1072827129 /nfs/dbraw/zinc/82/71/29/1072827129.db2.gz AKRAAJWXAWQHHN-HZHRSRAPSA-N 0 0 597.447 5.002 40 5 KKBBRN Cc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000409196362 1072832279 /nfs/dbraw/zinc/83/22/79/1072832279.db2.gz ZOOABEGXVHGGRK-MZGCFZMMSA-N 0 0 533.334 5.629 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409195647 1072835868 /nfs/dbraw/zinc/83/58/68/1072835868.db2.gz RJXMEZHPYZERMH-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409195032 1072839185 /nfs/dbraw/zinc/83/91/85/1072839185.db2.gz QURNYUMXEVXUKY-JEBSQDRDSA-N 0 0 793.283 6.656 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000409195071 1072839574 /nfs/dbraw/zinc/83/95/74/1072839574.db2.gz SUVFMKIIBPXLSH-HDGMWEBWSA-N 0 0 504.882 5.220 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1Cl ZINC000409194924 1072840638 /nfs/dbraw/zinc/84/06/38/1072840638.db2.gz FYDIUOAGWDSDOX-JMIUGGIZSA-N 0 0 524.942 5.419 40 5 KKBBRN Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409194626 1072842563 /nfs/dbraw/zinc/84/25/63/1072842563.db2.gz PVWIMTKTDKWCNT-JEUHMODBSA-N 0 0 612.230 6.392 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000409194168 1072845551 /nfs/dbraw/zinc/84/55/51/1072845551.db2.gz NPUWWGYKAPSGDZ-NSFNGMEESA-N 0 0 553.752 5.974 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409194004 1072846631 /nfs/dbraw/zinc/84/66/31/1072846631.db2.gz KEQGIYUCFSUTRG-CIAFOILYSA-N 0 0 575.824 6.839 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409192538 1072854871 /nfs/dbraw/zinc/85/48/71/1072854871.db2.gz CIIBGRWIFNFXRZ-YVBHXKDBSA-N 0 0 750.690 6.264 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409192543 1072855190 /nfs/dbraw/zinc/85/51/90/1072855190.db2.gz YPFCFBILFQWIHN-DQARITGZSA-N 0 0 753.715 7.060 40 5 KKBBRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409192203 1072855694 /nfs/dbraw/zinc/85/56/94/1072855694.db2.gz AABLGZTWGCHIJH-BHFPBWTASA-N 0 0 767.673 6.355 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192335 1072856860 /nfs/dbraw/zinc/85/68/60/1072856860.db2.gz AZGICBKTHLAROP-ASUJOLEISA-N 0 0 824.179 7.341 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000409192120 1072857672 /nfs/dbraw/zinc/85/76/72/1072857672.db2.gz AOPBKTAZVSYRSR-ORAUUZGKSA-N 0 0 677.099 6.846 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192142 1072857824 /nfs/dbraw/zinc/85/78/24/1072857824.db2.gz AWKDPCBEJJZPBU-PYCBVSLESA-N 0 0 731.256 6.187 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409191657 1072860708 /nfs/dbraw/zinc/86/07/08/1072860708.db2.gz KDLHTBWXDOVTFF-BYHXYDORSA-N 0 0 518.909 5.610 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409191558 1072862039 /nfs/dbraw/zinc/86/20/39/1072862039.db2.gz ZBEVMTRLBIUFKV-RQXPBMLRSA-N 0 0 686.309 6.881 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191384 1072863106 /nfs/dbraw/zinc/86/31/06/1072863106.db2.gz GFJHJYQHTZXJKL-RGVLZGJSSA-N 0 0 580.243 7.484 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409190993 1072866414 /nfs/dbraw/zinc/86/64/14/1072866414.db2.gz XWWRFEBEPUNDGO-ZWTGMXIPSA-N 0 0 773.680 7.111 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1 ZINC000409190380 1072870475 /nfs/dbraw/zinc/87/04/75/1072870475.db2.gz XYUATLIJUYDSBW-IAOUMNOZSA-N 0 0 687.203 5.790 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409190223 1072871742 /nfs/dbraw/zinc/87/17/42/1072871742.db2.gz QBWGCWLUDUQVAN-HZHHUVPKSA-N 0 0 774.325 6.112 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409189593 1072874888 /nfs/dbraw/zinc/87/48/88/1072874888.db2.gz RDNZTUCODGRALM-LPYMAVHISA-N 0 0 545.400 7.120 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409189546 1072876284 /nfs/dbraw/zinc/87/62/84/1072876284.db2.gz HSLWEWMSBQQVEC-FSPONLMBSA-N 0 0 801.734 7.892 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409188864 1072879575 /nfs/dbraw/zinc/87/95/75/1072879575.db2.gz GZWYTMMFNSZXMN-SIMLCNRJSA-N 0 0 553.354 6.264 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409188882 1072880142 /nfs/dbraw/zinc/88/01/42/1072880142.db2.gz BNMXKLQBFHOYFM-OEAKJJBVSA-N 0 0 510.955 6.467 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188345 1072883116 /nfs/dbraw/zinc/88/31/16/1072883116.db2.gz GXLYCFUZVBHWLJ-KAEGSSFASA-N 0 0 775.099 7.679 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409187771 1072885759 /nfs/dbraw/zinc/88/57/59/1072885759.db2.gz BVPODJOAGVHLAD-JLHDDXNDSA-N 0 0 777.281 5.815 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206951 1072887283 /nfs/dbraw/zinc/88/72/83/1072887283.db2.gz RNMHJCFLULTJIB-FOKLQQMPSA-N 0 0 553.980 5.511 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409206224 1072892918 /nfs/dbraw/zinc/89/29/18/1072892918.db2.gz NGLIZOHTLSOBQH-VULFUBBASA-N 0 0 591.598 5.019 40 5 KKBBRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409205823 1072895501 /nfs/dbraw/zinc/89/55/01/1072895501.db2.gz KIIAEKWPRCJZCF-UHFFFAOYSA-N 0 0 573.252 5.494 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409204204 1072906166 /nfs/dbraw/zinc/90/61/66/1072906166.db2.gz DLXHBBVBZFJHLZ-YVJZOELXSA-N 0 0 579.425 5.323 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409201674 1072916982 /nfs/dbraw/zinc/91/69/82/1072916982.db2.gz NLTFFEZWCPGORM-SRZZPIQSSA-N 0 0 603.788 5.260 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409199621 1072925455 /nfs/dbraw/zinc/92/54/55/1072925455.db2.gz IFPDAAYALJNPIU-UZPSYVQNSA-N 0 0 524.473 5.784 40 5 KKBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409198327 1072931483 /nfs/dbraw/zinc/93/14/83/1072931483.db2.gz CMCGQJBQHRGSSC-WOJGMQOQSA-N 0 0 513.428 5.507 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409197482 1072934666 /nfs/dbraw/zinc/93/46/66/1072934666.db2.gz GQXNMQUUJAINMY-XKZIYDEJSA-N 0 0 534.550 5.164 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409197408 1072936025 /nfs/dbraw/zinc/93/60/25/1072936025.db2.gz DUJHQNSMGDAVPT-FBHDLOMBSA-N 0 0 633.864 6.272 40 5 KKBBRN CCOc1cc(CNc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207411 1072942243 /nfs/dbraw/zinc/94/22/43/1072942243.db2.gz UMWCICZECWEFTM-UHFFFAOYSA-N 0 0 522.314 5.928 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207366 1072943192 /nfs/dbraw/zinc/94/31/92/1072943192.db2.gz SUIRYEONYJFCFD-LFVJCYFKSA-N 0 0 583.460 6.614 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409215031 1072950651 /nfs/dbraw/zinc/95/06/51/1072950651.db2.gz ZUYHNJKPTMFUBE-SRZZPIQSSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1F ZINC000409211128 1072963229 /nfs/dbraw/zinc/96/32/29/1072963229.db2.gz KXOOCLNBIITJNO-SRZZPIQSSA-N 0 0 742.239 5.054 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409226694 1072973011 /nfs/dbraw/zinc/97/30/11/1072973011.db2.gz RHNOPMPPRCPNLQ-AFUMVMLFSA-N 0 0 597.443 6.254 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409226475 1072974498 /nfs/dbraw/zinc/97/44/98/1072974498.db2.gz UCINYQIJMDQGGT-MFKUBSTISA-N 0 0 518.547 5.492 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409223702 1072987281 /nfs/dbraw/zinc/98/72/81/1072987281.db2.gz HVMUXGXWERGJPB-YVNNLAQVSA-N 0 0 606.009 5.138 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccccc1 ZINC000409222899 1072990199 /nfs/dbraw/zinc/99/01/99/1072990199.db2.gz FBPUKAXNDVLNEY-SSDVNMTOSA-N 0 0 607.360 7.088 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222766 1072991288 /nfs/dbraw/zinc/99/12/88/1072991288.db2.gz CIZAEIWLGIEUCT-ZVBGSRNCSA-N 0 0 572.914 5.763 40 5 KKBBRN COCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409222823 1072991317 /nfs/dbraw/zinc/99/13/17/1072991317.db2.gz XQMBWOQDSLCENT-XDHOZWIPSA-N 0 0 537.388 5.018 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409221773 1072997009 /nfs/dbraw/zinc/99/70/09/1072997009.db2.gz AJFHBZCEYTXSMY-FBHDLOMBSA-N 0 0 529.933 5.939 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409220877 1073002336 /nfs/dbraw/zinc/00/23/36/1073002336.db2.gz HFUZHWZXYZQZSR-SSDVNMTOSA-N 0 0 571.970 5.650 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409220673 1073002787 /nfs/dbraw/zinc/00/27/87/1073002787.db2.gz DDAQQIHOVLGSNN-YDZHTSKRSA-N 0 0 693.903 6.506 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409220554 1073003784 /nfs/dbraw/zinc/00/37/84/1073003784.db2.gz BJRCZCMSRFBOSC-LICLKQGHSA-N 0 0 650.232 5.829 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccccc1 ZINC000409219943 1073005954 /nfs/dbraw/zinc/00/59/54/1073005954.db2.gz WTAXUMMTLXITFW-RGVLZGJSSA-N 0 0 513.325 5.537 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409219309 1073009109 /nfs/dbraw/zinc/00/91/09/1073009109.db2.gz LDGRRCLRKSHLDF-FBHDLOMBSA-N 0 0 572.958 5.648 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409219043 1073010628 /nfs/dbraw/zinc/01/06/28/1073010628.db2.gz IKVSIKFNJABXRX-SSDVNMTOSA-N 0 0 541.944 5.641 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409218296 1073013470 /nfs/dbraw/zinc/01/34/70/1073013470.db2.gz HTRRWXOIKMFZHT-SSDVNMTOSA-N 0 0 607.360 7.088 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409229915 1073017143 /nfs/dbraw/zinc/01/71/43/1073017143.db2.gz VYZWRNOWQWSTKP-LICLKQGHSA-N 0 0 556.232 6.145 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409229901 1073017170 /nfs/dbraw/zinc/01/71/70/1073017170.db2.gz AUFINNNEGUABEV-DEDYPNTBSA-N 0 0 598.415 5.250 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(F)c1 ZINC000409227883 1073029803 /nfs/dbraw/zinc/02/98/03/1073029803.db2.gz SKPOZZGECBRFCR-GRSHGNNSSA-N 0 0 501.879 5.322 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409235241 1073045925 /nfs/dbraw/zinc/04/59/25/1073045925.db2.gz ZETXSJZTFFXJNS-CIAFOILYSA-N 0 0 538.354 5.038 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000409231347 1073065075 /nfs/dbraw/zinc/06/50/75/1073065075.db2.gz CEEDCXGVJVWWJT-WSDLNYQXSA-N 0 0 588.425 6.164 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc(F)c1 ZINC000409230746 1073067633 /nfs/dbraw/zinc/06/76/33/1073067633.db2.gz FZZMNJWVFRUOEU-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409246608 1073076127 /nfs/dbraw/zinc/07/61/27/1073076127.db2.gz JLTPHYPEQVKNIJ-LPYMAVHISA-N 0 0 507.930 5.319 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccccc1Cl ZINC000409246030 1073080248 /nfs/dbraw/zinc/08/02/48/1073080248.db2.gz CXADYEYTYFDAKB-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409243357 1073092795 /nfs/dbraw/zinc/09/27/95/1073092795.db2.gz VVWZDVCKRYYJER-FSJBWODESA-N 0 0 566.408 5.736 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409240131 1073109860 /nfs/dbraw/zinc/10/98/60/1073109860.db2.gz ROAGSUPEGITYPH-CIAFOILYSA-N 0 0 572.799 6.086 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409248944 1073145908 /nfs/dbraw/zinc/14/59/08/1073145908.db2.gz GBABCLNFMBFVMO-XKZIYDEJSA-N 0 0 659.414 5.102 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409256207 1073162356 /nfs/dbraw/zinc/16/23/56/1073162356.db2.gz KLASJGYUCREJQZ-YSMPRRRNSA-N 0 0 603.634 5.499 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409256278 1073162827 /nfs/dbraw/zinc/16/28/27/1073162827.db2.gz KSFFSZQSWWLUKD-FSJBWODESA-N 0 0 617.861 6.518 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409255420 1073167377 /nfs/dbraw/zinc/16/73/77/1073167377.db2.gz KGBGXTARVJPORO-JJFYIABZSA-N 0 0 676.401 5.584 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl ZINC000409267006 1073197610 /nfs/dbraw/zinc/19/76/10/1073197610.db2.gz ZYPSYLVZXLFJOI-AUEPDCJTSA-N 0 0 637.976 6.752 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409266903 1073199279 /nfs/dbraw/zinc/19/92/79/1073199279.db2.gz SBHGVJOFNMUMIF-MYKKPKGFSA-N 0 0 632.072 5.316 40 5 KKBBRN COc1cc2c(=O)[nH]c3c(C(=O)N[C@H](C)CCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC ZINC000011692066 1073203092 /nfs/dbraw/zinc/20/30/92/1073203092.db2.gz IHDQFEOACGLWEE-MRXNPFEDSA-N 0 0 501.587 5.251 40 5 KKBBRN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(C2CCCCC2)cc1 ZINC000026465733 1073203621 /nfs/dbraw/zinc/20/36/21/1073203621.db2.gz VAYRRRCJAKGUFH-UHFFFAOYSA-N 0 0 503.520 5.634 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409263743 1073215538 /nfs/dbraw/zinc/21/55/38/1073215538.db2.gz BVTRJPLJEPYNJR-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409262793 1073220340 /nfs/dbraw/zinc/22/03/40/1073220340.db2.gz HHNZKOBPTBEGGC-BRJLIKDPSA-N 0 0 626.485 6.237 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409261495 1073227300 /nfs/dbraw/zinc/22/73/00/1073227300.db2.gz CLSFECVQOGXHER-SSDVNMTOSA-N 0 0 652.401 6.852 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409260793 1073232242 /nfs/dbraw/zinc/23/22/42/1073232242.db2.gz WMEXNYVRZNWUSK-FOKLQQMPSA-N 0 0 695.438 6.130 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409260108 1073235013 /nfs/dbraw/zinc/23/50/13/1073235013.db2.gz KXDBVALQGQDSGP-FSJBWODESA-N 0 0 601.406 6.003 40 5 KKBBRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409257747 1073250812 /nfs/dbraw/zinc/25/08/12/1073250812.db2.gz UQKSJKMRBMBNGM-UHFFFAOYSA-N 0 0 531.512 7.061 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)o1 ZINC000409271984 1073259253 /nfs/dbraw/zinc/25/92/53/1073259253.db2.gz XBOGCUIABRXGOW-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409271563 1073262730 /nfs/dbraw/zinc/26/27/30/1073262730.db2.gz VBHYFDUGWJMXOU-STBIYBPSSA-N 0 0 568.607 6.645 40 5 KKBBRN Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409271432 1073263490 /nfs/dbraw/zinc/26/34/90/1073263490.db2.gz CVXMBWYRZHOJLM-SSDVNMTOSA-N 0 0 507.480 5.299 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271364 1073264134 /nfs/dbraw/zinc/26/41/34/1073264134.db2.gz BVFFKUKVXJVATL-RGVLZGJSSA-N 0 0 513.325 5.537 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409271290 1073265081 /nfs/dbraw/zinc/26/50/81/1073265081.db2.gz UGKZCQAEFXECCB-FMCGGJTJSA-N 0 0 505.552 5.763 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409270960 1073266464 /nfs/dbraw/zinc/26/64/64/1073266464.db2.gz SGFLZAJUBXMTPN-UFWORHAWSA-N 0 0 676.345 7.261 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409270816 1073266779 /nfs/dbraw/zinc/26/67/79/1073266779.db2.gz RJOPZAVULMWNNO-DJKKODMXSA-N 0 0 597.449 6.498 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1C ZINC000409270862 1073267281 /nfs/dbraw/zinc/26/72/81/1073267281.db2.gz RQCFCQQGVUYXON-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270751 1073267612 /nfs/dbraw/zinc/26/76/12/1073267612.db2.gz AFPIINWWFVGQGO-FMCGGJTJSA-N 0 0 571.380 5.995 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409270549 1073269665 /nfs/dbraw/zinc/26/96/65/1073269665.db2.gz HFCPYVQRXKCJDO-VXLYETTFSA-N 0 0 530.921 5.605 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270566 1073269725 /nfs/dbraw/zinc/26/97/25/1073269725.db2.gz HILSSFUUPGSJQT-ODLFYWEKSA-N 0 0 500.941 5.912 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409269547 1073276506 /nfs/dbraw/zinc/27/65/06/1073276506.db2.gz KDYLYYMNOXTILM-UHFFFAOYSA-N 0 0 527.908 5.409 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409269452 1073276761 /nfs/dbraw/zinc/27/67/61/1073276761.db2.gz BUYGNQRCKYAGLI-WYMPLXKRSA-N 0 0 568.007 5.819 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1 ZINC000409269296 1073278272 /nfs/dbraw/zinc/27/82/72/1073278272.db2.gz AVQKAZLAUCEOPR-CXABMRDKSA-N 0 0 623.735 5.027 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409269128 1073280952 /nfs/dbraw/zinc/28/09/52/1073280952.db2.gz FQAIFDWGHTUSSS-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409275826 1073296521 /nfs/dbraw/zinc/29/65/21/1073296521.db2.gz XGTHBIWUWNGTJQ-KEBDBYFISA-N 0 0 503.319 6.081 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409275284 1073300292 /nfs/dbraw/zinc/30/02/92/1073300292.db2.gz TVFYNYAWTLLYRQ-UOZQHNDTSA-N 0 0 652.773 5.479 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl ZINC000409275208 1073301006 /nfs/dbraw/zinc/30/10/06/1073301006.db2.gz ZNCUBGKEOGTUCW-KEBDBYFISA-N 0 0 592.811 5.954 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274943 1073304780 /nfs/dbraw/zinc/30/47/80/1073304780.db2.gz RJSGLWWXNMHGNL-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409274426 1073310055 /nfs/dbraw/zinc/31/00/55/1073310055.db2.gz WUKNKKMLFKCLJW-ZMOGYAJESA-N 0 0 538.965 5.755 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl ZINC000409274258 1073311612 /nfs/dbraw/zinc/31/16/12/1073311612.db2.gz ODSGKXJTOLZPJK-KEBDBYFISA-N 0 0 548.360 5.845 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274211 1073312772 /nfs/dbraw/zinc/31/27/72/1073312772.db2.gz NSKUKMFVCAFTDK-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409273932 1073316167 /nfs/dbraw/zinc/31/61/67/1073316167.db2.gz AITYMXIVHCAWEV-WAHKBFHJSA-N 0 0 666.800 5.867 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409273931 1073316186 /nfs/dbraw/zinc/31/61/86/1073316186.db2.gz AITYMXIVHCAWEV-GWXNNEATSA-N 0 0 666.800 5.867 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409273835 1073316981 /nfs/dbraw/zinc/31/69/81/1073316981.db2.gz LVWUXWQOCWSQPO-KEBDBYFISA-N 0 0 548.360 5.845 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409273801 1073317606 /nfs/dbraw/zinc/31/76/06/1073317606.db2.gz SUNZIMQHDUPUOG-KEBDBYFISA-N 0 0 503.319 6.081 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409272939 1073320802 /nfs/dbraw/zinc/32/08/02/1073320802.db2.gz IIAAJTLBEFJGPU-FSJBWODESA-N 0 0 505.552 5.763 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc(Cl)cc1 ZINC000409273373 1073334801 /nfs/dbraw/zinc/33/48/01/1073334801.db2.gz QGMWKPPLEXZXFM-KEBDBYFISA-N 0 0 503.319 6.081 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCC3 ZINC000409273123 1073335167 /nfs/dbraw/zinc/33/51/67/1073335167.db2.gz VPRIQSCPOLRFHV-UHFFFAOYSA-N 0 0 512.385 6.192 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100364976 193902073 /nfs/dbraw/zinc/90/20/73/193902073.db2.gz FYAPHYXEUMIKMG-YDZHTSKRSA-N 0 0 559.427 7.116 40 5 KKBBRN COc1cc([C@H]2NN=C(c3ccccc3)S2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000059409193 193896634 /nfs/dbraw/zinc/89/66/34/193896634.db2.gz OKPXTTNBSYECHK-QFIPXVFZSA-N 0 0 500.374 5.642 40 5 KKBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222992452 193936090 /nfs/dbraw/zinc/93/60/90/193936090.db2.gz UZJJLSPNGVIAFO-LJQANCHMSA-N 0 0 621.543 5.429 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224516478 193957614 /nfs/dbraw/zinc/95/76/14/193957614.db2.gz MSXMUMGWYOGPNS-YTTGMZPUSA-N 0 0 762.112 7.234 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224529151 193964340 /nfs/dbraw/zinc/96/43/40/193964340.db2.gz NSUHYGKRIZDFEM-VWLOTQADSA-N 0 0 574.461 5.455 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409381970 195513387 /nfs/dbraw/zinc/51/33/87/195513387.db2.gz JIJXOSNLXSZPHA-QFEZKATASA-N 0 0 594.045 5.457 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408851860 195491653 /nfs/dbraw/zinc/49/16/53/195491653.db2.gz AWDFIQBSLLFOFR-IKHSWBDUSA-N 0 0 676.751 5.768 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1ccccc1Cl ZINC000409232342 195509518 /nfs/dbraw/zinc/50/95/18/195509518.db2.gz NYFWARVEEWSFBU-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000845465 551548805 /nfs/dbraw/zinc/54/88/05/551548805.db2.gz XELFBIPQBJWEPL-SFHVURJKSA-N 0 0 540.189 5.114 40 5 KKBBRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000000902074 551565479 /nfs/dbraw/zinc/56/54/79/551565479.db2.gz GMZGQYYEBHBJFY-UHFFFAOYSA-N 0 0 500.458 6.061 40 5 KKBBRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000000902278 551565684 /nfs/dbraw/zinc/56/56/84/551565684.db2.gz MGQBNBZYETYQMR-UHFFFAOYSA-N 0 0 534.447 6.326 40 5 KKBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000000950926 551589125 /nfs/dbraw/zinc/58/91/25/551589125.db2.gz GAKOOUXIFVPRHC-GVAUOCQISA-N 0 0 561.616 5.071 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000001317185 551640614 /nfs/dbraw/zinc/64/06/14/551640614.db2.gz LOXKQPFLISBJHP-USZFVNFHSA-N 0 0 590.386 5.276 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001624915 551686470 /nfs/dbraw/zinc/68/64/70/551686470.db2.gz YYZPXBXVBQSBDG-IJIVKGSJSA-N 0 0 510.160 8.457 40 5 in-vitro KKBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000001783226 551698530 /nfs/dbraw/zinc/69/85/30/551698530.db2.gz MONNIYRPRXYKTK-CYBMUJFWSA-N 0 0 519.373 5.669 40 5 KKBBRN COC(=O)c1c(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001787363 551700891 /nfs/dbraw/zinc/70/08/91/551700891.db2.gz QNVGSFGFNWFCDG-GFCCVEGCSA-N 0 0 525.421 5.374 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000001809389 551705278 /nfs/dbraw/zinc/70/52/78/551705278.db2.gz UTSKPBSVUGXZSY-CLWMVSBGSA-N 0 0 590.035 6.494 40 5 KKBBRN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001839741 551713823 /nfs/dbraw/zinc/71/38/23/551713823.db2.gz SOPXDCSUUREGOM-UHFFFAOYSA-N 0 0 524.960 7.921 40 5 KKBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000002683564 552156258 /nfs/dbraw/zinc/15/62/58/552156258.db2.gz RGUBUFQMKLMUEY-RISWYLRJSA-N 0 0 575.668 5.077 40 5 KKBBRN CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002747351 552174505 /nfs/dbraw/zinc/17/45/05/552174505.db2.gz ARDXMOWYIXIIND-NRFANRHFSA-N 0 0 502.752 6.181 40 5 KKBBRN CCOc1ccc(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)cc1 ZINC000002799467 552193830 /nfs/dbraw/zinc/19/38/30/552193830.db2.gz BPNILSLBASKMDM-UHFFFAOYSA-N 0 0 596.587 7.091 40 5 KKBBRN NC(=O)c1ccc(NC(=O)c2ccc(Oc3cc(Oc4cccc(Cl)c4)cc([N+](=O)[O-])c3)cc2)cc1 ZINC000003143813 552296370 /nfs/dbraw/zinc/29/63/70/552296370.db2.gz ASVRJFZVSHCKSQ-UHFFFAOYSA-N 0 0 503.898 6.184 40 5 KKBBRN O=C(Nc1nc2cc3sc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003207511 552304824 /nfs/dbraw/zinc/30/48/24/552304824.db2.gz LFUXAHJZYQIVEM-UHFFFAOYSA-N 0 0 520.508 5.227 40 5 KKBBRN CC(=O)Oc1c2ccc([N+](=O)[O-])cc2[nH]c1-c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OC(C)=O)cc1 ZINC000004265843 552454600 /nfs/dbraw/zinc/45/46/00/552454600.db2.gz UJTKGJZYDJZBMH-UHFFFAOYSA-N 0 0 514.450 5.650 40 5 KKBBRN O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000004558650 552467385 /nfs/dbraw/zinc/46/73/85/552467385.db2.gz WXJZOZBMOPJKOC-UHFFFAOYSA-N 0 0 578.628 10.110 40 5 KKBBRN CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3CC ZINC000004683165 552471708 /nfs/dbraw/zinc/47/17/08/552471708.db2.gz LUUYUVIPWOKSNM-UHFFFAOYSA-N 0 0 594.756 7.440 40 5 KKBBRN O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004896601 552489011 /nfs/dbraw/zinc/48/90/11/552489011.db2.gz GXCFQNUEHPMLFI-UHFFFAOYSA-N 0 0 528.481 6.583 40 5 KKBBRN O=C(c1ccccc1)n1c2ccccc2c2c1[C@@H](c1ccccc1[N+](=O)[O-])N(C(=O)c1ccccc1)NC2=O ZINC000005707366 552507426 /nfs/dbraw/zinc/50/74/26/552507426.db2.gz BBTBXANFHWZLBW-AREMUKBSSA-N 0 0 516.513 5.128 40 5 KKBBRN CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006090046 552533396 /nfs/dbraw/zinc/53/33/96/552533396.db2.gz CDZUZFUHFACZDX-GOSISDBHSA-N 0 0 518.599 5.306 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1 ZINC000006194287 552565994 /nfs/dbraw/zinc/56/59/94/552565994.db2.gz KKTXHNQXFNWWDC-UHFFFAOYSA-N 0 0 526.578 5.342 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 ZINC000006280805 552576757 /nfs/dbraw/zinc/57/67/57/552576757.db2.gz FQEOTMDQTRXUMD-KRWDZBQOSA-N 0 0 523.018 5.869 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000006289380 552578763 /nfs/dbraw/zinc/57/87/63/552578763.db2.gz DWTKXXFJNUWQQQ-BUVRLJJBSA-N 0 0 556.556 5.619 40 5 KKBBRN O=C(Nc1cccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000006444676 552587121 /nfs/dbraw/zinc/58/71/21/552587121.db2.gz NUPJEELPXUKNGM-UHFFFAOYSA-N 0 0 591.536 6.987 40 5 KKBBRN O=C(CSc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474689 552592849 /nfs/dbraw/zinc/59/28/49/552592849.db2.gz DAINTBAGPCDXED-UHFFFAOYSA-N 0 0 539.415 5.281 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000006600334 552602587 /nfs/dbraw/zinc/60/25/87/552602587.db2.gz BNFSJQGIPFEEHA-HNNXBMFYSA-N 0 0 544.699 6.279 40 5 KKBBRN c1ccc2c(c1)sc1ccccc1c2=NNc1nnc(NN=c2c3ccccc3sc3ccccc32)c2ccccc21 ZINC000008637743 553106183 /nfs/dbraw/zinc/10/61/83/553106183.db2.gz GAAONXPZKCOHPI-UHFFFAOYSA-N 0 0 578.726 8.221 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000008739521 553131297 /nfs/dbraw/zinc/13/12/97/553131297.db2.gz VAMMHMBTLSBKCE-GNTBGIDYSA-N 0 0 507.652 8.152 40 5 KKBBRN COc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000008792155 553147449 /nfs/dbraw/zinc/14/74/49/553147449.db2.gz RMUGZQQRNZUMRQ-MRXNPFEDSA-N 0 0 523.545 5.024 40 5 biogenic KKBBRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000008835303 553161765 /nfs/dbraw/zinc/16/17/65/553161765.db2.gz RQGHTFUMYRRKCJ-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(F)cc2)cc1 ZINC000008836283 553162961 /nfs/dbraw/zinc/16/29/61/553162961.db2.gz HXZKTBHLNXUQHP-UHFFFAOYSA-N 0 0 507.315 5.128 40 5 KKBBRN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008899203 553180601 /nfs/dbraw/zinc/18/06/01/553180601.db2.gz OBTZTMMBLPDVPH-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008899614 553180789 /nfs/dbraw/zinc/18/07/89/553180789.db2.gz UOTPEWIMUDFCKT-UHFFFAOYSA-N 0 0 500.555 6.388 40 5 KKBBRN CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000008927020 553191592 /nfs/dbraw/zinc/19/15/92/553191592.db2.gz DXEVLMYTGDEGKM-YVHASNINSA-N 0 0 508.618 6.586 40 5 KKBBRN O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009056523 553204383 /nfs/dbraw/zinc/20/43/83/553204383.db2.gz PRKRDEBBZYTSNW-UHFFFAOYSA-N 0 0 506.312 6.122 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000009500081 553275207 /nfs/dbraw/zinc/27/52/07/553275207.db2.gz FVWZUVLOVQAJFF-VXNXHJTFSA-N 0 0 507.930 5.088 40 5 KKBBRN CC(C)(C)c1cc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000010041914 553327011 /nfs/dbraw/zinc/32/70/11/553327011.db2.gz FRHATIIXHPNCBV-MUUNZHRXSA-N 0 0 530.621 6.087 40 5 KKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2c(Br)c1 ZINC000010119758 553329839 /nfs/dbraw/zinc/32/98/39/553329839.db2.gz UYSHRIOKDVPINT-UHFFFAOYSA-N 0 0 500.736 6.634 40 5 KKBBRN CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000011617031 553339798 /nfs/dbraw/zinc/33/97/98/553339798.db2.gz BMGQWWVMWDBQGC-JLYVSKAHSA-N 0 0 570.649 5.907 40 5 in-vitro KKBBRN COc1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 ZINC000011851720 553343781 /nfs/dbraw/zinc/34/37/81/553343781.db2.gz ANVBLOILMPFLRV-UHFFFAOYSA-N 0 0 503.352 5.184 40 5 KKBBRN O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011990747 553349876 /nfs/dbraw/zinc/34/98/76/553349876.db2.gz QOGOWCLXSZOUGF-UPZARLHUSA-N 0 0 501.029 6.229 40 5 KKBBRN COc1ccc(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(CCc2ccccc2)C4=O)cc1Cl ZINC000012371118 553360272 /nfs/dbraw/zinc/36/02/72/553360272.db2.gz XDCZZGCDTRKBKC-UHFFFAOYSA-N 0 0 501.926 5.992 40 5 KKBBRN CCOc1ccc(Oc2cc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc([N+](=O)[O-])c2)cc1 ZINC000012849184 553421935 /nfs/dbraw/zinc/42/19/35/553421935.db2.gz WRRQOPUZQUKHMZ-UHFFFAOYSA-N 0 0 504.465 5.519 40 5 KKBBRN COc1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@H]3c3ccc(F)cc3)n2)cc1OC ZINC000013382164 553459042 /nfs/dbraw/zinc/45/90/42/553459042.db2.gz ABUPOKLQIPLXGG-QHCPKHFHSA-N 0 0 504.543 6.230 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)oc2c1 ZINC000014275034 553507923 /nfs/dbraw/zinc/50/79/23/553507923.db2.gz VNYGPFUUJOWLNG-UHFFFAOYSA-N 0 0 514.519 5.804 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014277953 553510442 /nfs/dbraw/zinc/51/04/42/553510442.db2.gz KFADESFSSUDEDS-GOSISDBHSA-N 0 0 500.555 6.005 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014278535 553510943 /nfs/dbraw/zinc/51/09/43/553510943.db2.gz QFVYUKMWFVSBID-UHFFFAOYSA-N 0 0 513.602 5.336 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000014278532 553510962 /nfs/dbraw/zinc/51/09/62/553510962.db2.gz XUYXEAKBQLJMOK-UHFFFAOYSA-N 0 0 510.554 5.996 40 5 KKBBRN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)Nc2ccccc2-3)cc1 ZINC000015015776 553525972 /nfs/dbraw/zinc/52/59/72/553525972.db2.gz SKHKYTQPLKYZMU-QHCPKHFHSA-N 0 0 501.524 5.279 40 5 KKBBRN COc1cc(C(=O)Nc2ccccc2Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015304248 553530972 /nfs/dbraw/zinc/53/09/72/553530972.db2.gz ZXXHIQKYPKMBIU-UHFFFAOYSA-N 0 0 511.250 6.429 40 5 KKBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000016363502 553561574 /nfs/dbraw/zinc/56/15/74/553561574.db2.gz GNGGIDAYWWPHER-UHFFFAOYSA-N 0 0 500.949 5.198 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611101 553569538 /nfs/dbraw/zinc/56/95/38/553569538.db2.gz NXNUNBFJIHEPEI-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611105 553569544 /nfs/dbraw/zinc/56/95/44/553569544.db2.gz PZWBBSZODVWZPB-OAHLLOKOSA-N 0 0 504.568 6.052 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000016611173 553569732 /nfs/dbraw/zinc/56/97/32/553569732.db2.gz RFAZPXMURGRVJC-CQSZACIVSA-N 0 0 508.987 6.697 40 5 KKBBRN CC(=O)Oc1c(C)c(C)c2ccc3c(OC(C)=O)c(C[C@@H](C)OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3c2c1C ZINC000068601674 553592334 /nfs/dbraw/zinc/59/23/34/553592334.db2.gz QNFILAJPGUKMPY-CYBMUJFWSA-N 0 0 552.576 5.114 40 5 KKBBRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020153071 553597237 /nfs/dbraw/zinc/59/72/37/553597237.db2.gz BTEHVFYHHAIIBE-UHFFFAOYSA-N 0 0 514.991 5.118 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000019856621 553627728 /nfs/dbraw/zinc/62/77/28/553627728.db2.gz XZJOBOYNQNJLBB-UHFFFAOYSA-N 0 0 519.604 5.580 40 5 KKBBRN Cc1c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000019856780 553628209 /nfs/dbraw/zinc/62/82/09/553628209.db2.gz DAIRKKJZXSXBDU-UHFFFAOYSA-N 0 0 501.564 5.551 40 5 KKBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000070707893 553631761 /nfs/dbraw/zinc/63/17/61/553631761.db2.gz JIQDFAHZCBWSQP-LJQANCHMSA-N 0 0 535.600 5.125 40 5 biogenic KKBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6ccc(C(C)C)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708289 553632516 /nfs/dbraw/zinc/63/25/16/553632516.db2.gz DVSRLCIFJGFHNW-GOSISDBHSA-N 0 0 535.600 6.139 40 5 biogenic KKBBRN CC1=C(C(=O)Nc2cc(F)c(F)cc2F)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1 ZINC000073256680 553652349 /nfs/dbraw/zinc/65/23/49/553652349.db2.gz SBJTZNGUVJEMCI-VWLOTQADSA-N 0 0 590.480 6.543 40 5 KKBBRN COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1[N+](=O)[O-] ZINC000073417889 553653857 /nfs/dbraw/zinc/65/38/57/553653857.db2.gz ZJNJEOUPJKYYQJ-UHFFFAOYSA-N 0 0 528.565 5.124 40 5 KKBBRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000020533702 553670906 /nfs/dbraw/zinc/67/09/06/553670906.db2.gz OKJJLZAVKVGGHB-UHFFFAOYSA-N 0 0 530.669 5.633 40 5 KKBBRN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(c3ccccc3)C[C@]3(C)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000082185013 553675025 /nfs/dbraw/zinc/67/50/25/553675025.db2.gz AZSNWJZCHJVPIN-MPQUPPDSSA-N 0 0 704.700 5.882 40 5 KKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000020610818 553679038 /nfs/dbraw/zinc/67/90/38/553679038.db2.gz MOQYTVURNBFTMW-UHFFFAOYSA-N 0 0 506.950 5.233 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000021305736 553709391 /nfs/dbraw/zinc/70/93/91/553709391.db2.gz VKWSBKMJKGUSJW-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000021576175 553712748 /nfs/dbraw/zinc/71/27/48/553712748.db2.gz JPEUDSWRXDPIPQ-UHFFFAOYSA-N 0 0 504.930 5.209 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000021595642 553714966 /nfs/dbraw/zinc/71/49/66/553714966.db2.gz OVCIWJSRAOWRGT-HXUWFJFHSA-N 0 0 512.610 7.405 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cccc1[N+](=O)[O-] ZINC000021595923 553715221 /nfs/dbraw/zinc/71/52/21/553715221.db2.gz BZKXNSAFZKWJMH-UHFFFAOYSA-N 0 0 505.021 5.426 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022278313 553736272 /nfs/dbraw/zinc/73/62/72/553736272.db2.gz STSZMYDIGJZEEQ-UHFFFAOYSA-N 0 0 503.536 5.221 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000022847468 553760661 /nfs/dbraw/zinc/76/06/61/553760661.db2.gz JOBGFTBNKPNZII-UHFFFAOYSA-N 0 0 523.018 5.760 40 5 KKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024522960 553791083 /nfs/dbraw/zinc/79/10/83/553791083.db2.gz CPGGYKQWOXKDGZ-UHFFFAOYSA-N 0 0 516.966 7.373 40 5 KKBBRN Cc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)nc1SCC(=O)c1ccc(Br)cc1 ZINC000026441743 553818161 /nfs/dbraw/zinc/81/81/61/553818161.db2.gz PZNBZSNEUQPABR-UHFFFAOYSA-N 0 0 508.397 6.493 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032111939 553863558 /nfs/dbraw/zinc/86/35/58/553863558.db2.gz SFHQFZYWSYHXOZ-UHFFFAOYSA-N 0 0 508.317 6.881 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C\C=C(/C)CCC=C(C)C ZINC000032787683 553874812 /nfs/dbraw/zinc/87/48/12/553874812.db2.gz OAIJSZIZWZSQBC-PATIAFDDSA-N 0 0 536.888 12.938 40 5 KKBBRN CC(=C\C=C/C=C(C)\C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C)/C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000032786174 553874848 /nfs/dbraw/zinc/87/48/48/553874848.db2.gz OENHQHLEOONYIE-BKOINNTMSA-N 0 0 536.888 12.606 40 5 KKBBRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000033634473 553965529 /nfs/dbraw/zinc/96/55/29/553965529.db2.gz CMNKAEUSURTADD-UHFFFAOYSA-N 0 0 516.019 5.311 40 5 KKBBRN O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097983842 554012316 /nfs/dbraw/zinc/01/23/16/554012316.db2.gz XXUYTCZNLKJVAE-INGOCYEQSA-N 0 0 562.582 6.858 40 5 KKBBRN O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097983841 554012374 /nfs/dbraw/zinc/01/23/74/554012374.db2.gz XXUYTCZNLKJVAE-SOEMSRAPSA-N 0 0 562.582 6.858 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 ZINC000098000558 554051485 /nfs/dbraw/zinc/05/14/85/554051485.db2.gz KMXUBPQMOGPNRM-UHFFFAOYSA-N 0 0 646.647 8.317 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc3noc4c3c2c2onc3c2c4c(Oc2ccc(C(C)(C)C)cc2)cc3N2CCCCCC2)cc1 ZINC000098006110 554060458 /nfs/dbraw/zinc/06/04/58/554060458.db2.gz USSIGFSWYUFYRW-UHFFFAOYSA-N 0 0 627.785 11.273 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000098045421 554131491 /nfs/dbraw/zinc/13/14/91/554131491.db2.gz OHOHBRNZKSCGIR-PNJIRECESA-N 0 0 602.646 6.784 40 5 KKBBRN Cc1ccc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100025335 554183296 /nfs/dbraw/zinc/18/32/96/554183296.db2.gz PNJDRUPBJMOBLW-UHFFFAOYSA-N 0 0 524.489 5.547 40 5 KKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1ccc([C@@H]2Oc4nc5cc([N+](=O)[O-])ccc5nc4C2O)cc1)C3O ZINC000100134557 554226399 /nfs/dbraw/zinc/22/63/99/554226399.db2.gz IBFSQXGZNDUXCP-PSWAGMNNSA-N 0 0 540.448 5.496 40 5 in-vitro KKBBRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000036628433 554228875 /nfs/dbraw/zinc/22/88/75/554228875.db2.gz RGCDBHITNCIVSN-UHFFFAOYSA-N 0 0 518.577 5.267 40 5 KKBBRN CCCCCCc1cc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)/c(=N/Nc3ccc([N+](=O)[O-])cc3)oc2cc1O ZINC000100165304 554236488 /nfs/dbraw/zinc/23/64/88/554236488.db2.gz PYUYBQACXCYDQY-IYOYZZHUSA-N 0 0 585.642 7.796 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100217180 554250879 /nfs/dbraw/zinc/25/08/79/554250879.db2.gz FBHVDGWFSULKDE-WOSHRIRTSA-N 0 0 562.691 5.892 40 5 KKBBRN Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000040556487 554287612 /nfs/dbraw/zinc/28/76/12/554287612.db2.gz MRNBERVOLRZGFG-UHFFFAOYSA-N 0 0 505.503 6.498 40 5 KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1 ZINC000040717800 554287880 /nfs/dbraw/zinc/28/78/80/554287880.db2.gz HTEIKXBIVSGIAL-UHFFFAOYSA-N 0 0 501.008 5.410 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Br ZINC000100296950 554288806 /nfs/dbraw/zinc/28/88/06/554288806.db2.gz FCTQOFIJEDUMSO-UHFFFAOYSA-N 0 0 581.835 7.099 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100305680 554293905 /nfs/dbraw/zinc/29/39/05/554293905.db2.gz RUMFIVMPDYBLEL-ZSJKCPIUSA-N 0 0 578.046 5.353 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 ZINC000100326503 554310423 /nfs/dbraw/zinc/31/04/23/554310423.db2.gz NMKQYMXVPLGROY-UHFFFAOYSA-N 0 0 567.469 5.869 40 5 KKBBRN CCC(C)(c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100353174 554331841 /nfs/dbraw/zinc/33/18/41/554331841.db2.gz BKPKZZRWIBMUKW-UHFFFAOYSA-N 0 0 612.638 5.754 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100358589 554339375 /nfs/dbraw/zinc/33/93/75/554339375.db2.gz MCKMCNRIGRXLAQ-UHFFFAOYSA-N 0 0 598.578 6.676 40 5 KKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 ZINC000100361979 554345950 /nfs/dbraw/zinc/34/59/50/554345950.db2.gz ZAWOVKSOKAYKLD-UHFFFAOYSA-N 0 0 594.159 5.788 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000100363555 554348066 /nfs/dbraw/zinc/34/80/66/554348066.db2.gz BOMXPKOKTRHYEB-ZVHZXABRSA-N 0 0 535.534 5.717 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000057312808 554353766 /nfs/dbraw/zinc/35/37/66/554353766.db2.gz SIRFJWKCBXFJCI-UHFFFAOYSA-N 0 0 520.014 7.100 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367724 554353801 /nfs/dbraw/zinc/35/38/01/554353801.db2.gz RFRFVAVCRRRYSM-XKZIYDEJSA-N 0 0 541.448 7.053 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2[N+](=O)[O-])CC1 ZINC000057315755 554354547 /nfs/dbraw/zinc/35/45/47/554354547.db2.gz CHNIZFNONRVQPU-UHFFFAOYSA-N 0 0 514.626 6.633 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000100369596 554355536 /nfs/dbraw/zinc/35/55/36/554355536.db2.gz BNBFQIBEVLCQTA-PQRKSKNISA-N 0 0 615.733 5.565 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369735 554355865 /nfs/dbraw/zinc/35/58/65/554355865.db2.gz NIHKRFMCWVMMHB-FMCGGJTJSA-N 0 0 554.049 6.691 40 5 KKBBRN O=C(COC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100376610 554360294 /nfs/dbraw/zinc/36/02/94/554360294.db2.gz JYXUCCWCHJJCRX-UHFFFAOYSA-N 0 0 584.493 5.375 40 5 KKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000059294127 554387591 /nfs/dbraw/zinc/38/75/91/554387591.db2.gz RSVJAELDNYPWEZ-UHFFFAOYSA-N 0 0 520.593 6.279 40 5 KKBBRN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000059294637 554388103 /nfs/dbraw/zinc/38/81/03/554388103.db2.gz MLBOGXXJJVDAKF-UHFFFAOYSA-N 0 0 504.974 6.853 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331438 554388545 /nfs/dbraw/zinc/38/85/45/554388545.db2.gz TTYDDWUOTONSGM-UHFFFAOYSA-N 0 0 519.558 5.659 40 5 KKBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331427 554388570 /nfs/dbraw/zinc/38/85/70/554388570.db2.gz MBVXCRNYGNEWJS-UHFFFAOYSA-N 0 0 516.583 5.224 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000059331434 554388643 /nfs/dbraw/zinc/38/86/43/554388643.db2.gz HLWFIWFIHXIAII-UHFFFAOYSA-N 0 0 517.611 5.273 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331556 554389377 /nfs/dbraw/zinc/38/93/77/554389377.db2.gz TZZJDKUJCXJXOQ-UHFFFAOYSA-N 0 0 517.636 5.989 40 5 KKBBRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331580 554389757 /nfs/dbraw/zinc/38/97/57/554389757.db2.gz WZMAOWCVNUMOOV-UHFFFAOYSA-N 0 0 517.567 5.139 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059331631 554389952 /nfs/dbraw/zinc/38/99/52/554389952.db2.gz VQQDXVTXKWHJEP-UHFFFAOYSA-N 0 0 523.018 5.760 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474799 554396768 /nfs/dbraw/zinc/39/67/68/554396768.db2.gz IXDFDMAEJHHLOZ-UHFFFAOYSA-N 0 0 514.588 6.341 40 5 KKBBRN CC(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059513077 554400536 /nfs/dbraw/zinc/40/05/36/554400536.db2.gz MNSDZKBYZBXCLI-LCQSEVKBSA-N 0 0 507.615 5.350 40 5 KKBBRN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100475297 554400624 /nfs/dbraw/zinc/40/06/24/554400624.db2.gz LYQIPOVSSDCRPB-NVMNQCDNSA-N 0 0 591.701 5.898 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000059600360 554409228 /nfs/dbraw/zinc/40/92/28/554409228.db2.gz DHTZXMHOANMKHY-ASZNLBCTSA-N 0 0 522.601 5.244 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059608882 554411592 /nfs/dbraw/zinc/41/15/92/554411592.db2.gz DSCYPGWRKWXBHJ-UHFFFAOYSA-N 0 0 550.614 5.027 40 5 KKBBRN CCOC(=O)C(CCCCCCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC ZINC000059663778 554421718 /nfs/dbraw/zinc/42/17/18/554421718.db2.gz FCNSIMRHQCGLFV-UHFFFAOYSA-N 0 0 619.755 8.473 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000059885923 554465753 /nfs/dbraw/zinc/46/57/53/554465753.db2.gz OXZOSMNYJZRZRG-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000100872059 554500282 /nfs/dbraw/zinc/50/02/82/554500282.db2.gz RIYNVJGXIKZELI-XNUJVAEZSA-N 0 0 577.127 7.692 40 5 KKBBRN O=[N+]([O-])c1ccc(/C(Cl)=C\c2ccc(/C=C(/Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000068563493 554539045 /nfs/dbraw/zinc/53/90/45/554539045.db2.gz QMZVNISRQXPNKX-LQGKIZFRSA-N 0 0 531.264 6.793 40 5 KKBBRN Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)cccc1[N+](=O)[O-] ZINC000100955430 554539159 /nfs/dbraw/zinc/53/91/59/554539159.db2.gz YSGYZPVBHGTOAG-USDTVRPUSA-N 0 0 611.079 6.004 40 5 KKBBRN CCc1c2ccc3[nH]c(c(CC)c3CC)c3nc(ccc4[nH]c(c(CC)c4CC)c(n2)c1CC)c(CC)c3CC ZINC000068568435 554539248 /nfs/dbraw/zinc/53/92/48/554539248.db2.gz ISTXAQGRFDHHFX-UHFFFAOYSA-N 0 0 534.792 9.369 40 5 KKBBRN CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 ZINC000101012878 554558463 /nfs/dbraw/zinc/55/84/63/554558463.db2.gz JJTCKEXSMAQENM-JOCHJYFZSA-N 0 0 554.426 6.865 40 5 KKBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccc(Cl)cc3N12)c1ccc(Br)cc1 ZINC000101064424 554571759 /nfs/dbraw/zinc/57/17/59/554571759.db2.gz PVQXMHMJFXHCEH-AZOUXBGGSA-N 0 0 578.806 5.283 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000101141550 554653451 /nfs/dbraw/zinc/65/34/51/554653451.db2.gz QUBLHPRIGQCVTB-UHFFFAOYSA-N 0 0 597.359 5.020 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1cccc2ccccc21 ZINC000101176284 554664221 /nfs/dbraw/zinc/66/42/21/554664221.db2.gz XPVKFGFAWTVPEG-SDHSZQHLSA-N 0 0 534.355 6.106 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000101215396 554681184 /nfs/dbraw/zinc/68/11/84/554681184.db2.gz YCCQCOFALOFGPV-CCEZHUSRSA-N 0 0 530.588 5.358 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101242258 554693393 /nfs/dbraw/zinc/69/33/93/554693393.db2.gz VOSIDTGGCYSXFF-HKBOAZHASA-N 0 0 518.740 5.606 40 5 KKBBRN O=S(=O)(/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000101459204 554777916 /nfs/dbraw/zinc/77/79/16/554777916.db2.gz OGOHOBTZJASFCS-GNVQSUKOSA-N 0 0 547.455 6.915 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)cc1)C2=O ZINC000101459945 554777961 /nfs/dbraw/zinc/77/79/61/554777961.db2.gz QORSYOKYIGNGKI-UHFFFAOYSA-N 0 0 593.979 7.055 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc1)C2=O ZINC000101460807 554778276 /nfs/dbraw/zinc/77/82/76/554778276.db2.gz OHAQSOIGUZKJMN-UHFFFAOYSA-N 0 0 593.979 7.055 40 5 KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000101658583 554820284 /nfs/dbraw/zinc/82/02/84/554820284.db2.gz PEGQCEHTHQVVAT-UHFFFAOYSA-N 0 0 546.468 5.324 40 5 KKBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101670615 554823974 /nfs/dbraw/zinc/82/39/74/554823974.db2.gz NYRYWQSYAOLPJN-GIWBLDEGSA-N 0 0 588.798 5.166 40 5 KKBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101671145 554824683 /nfs/dbraw/zinc/82/46/83/554824683.db2.gz GRKVKYDAHGSZLD-OBDYRVMHSA-N 0 0 604.413 5.666 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101673357 554826917 /nfs/dbraw/zinc/82/69/17/554826917.db2.gz DUUSPZHFETZJQF-GNKBHMEESA-N 0 0 612.433 5.302 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)c(O)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000101673354 554826924 /nfs/dbraw/zinc/82/69/24/554826924.db2.gz DUUSPZHFETZJQF-USZFVNFHSA-N 0 0 612.433 5.302 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370363 554916180 /nfs/dbraw/zinc/91/61/80/554916180.db2.gz NNMUSNAJXQOONC-AXXJGTDDSA-N 0 0 599.643 6.364 40 5 KKBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102555956 554964334 /nfs/dbraw/zinc/96/43/34/554964334.db2.gz SOBMLYLWTNXPKK-GSDHBNRESA-N 0 0 574.387 5.570 40 5 KKBBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000102572839 554971049 /nfs/dbraw/zinc/97/10/49/554971049.db2.gz MPZOSKBBYXZCJU-PGSZONDNSA-N 0 0 535.604 5.744 40 5 KKBBRN COc1ccc(CCn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(Cl)cc2Cl)cc1OC ZINC000102581408 554972576 /nfs/dbraw/zinc/97/25/76/554972576.db2.gz DQIVWAIFOLQHIU-UHFFFAOYSA-N 0 0 602.268 6.499 40 5 KKBBRN COc1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102581404 554972593 /nfs/dbraw/zinc/97/25/93/554972593.db2.gz BQQYHGGFLNLBMY-UHFFFAOYSA-N 0 0 563.404 5.201 40 5 KKBBRN O=C(Oc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000102628706 554988431 /nfs/dbraw/zinc/98/84/31/554988431.db2.gz LZMXIDGZTNZOLH-UHFFFAOYSA-N 0 0 615.551 6.050 40 5 KKBBRN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000102628979 554988775 /nfs/dbraw/zinc/98/87/75/554988775.db2.gz FEVHWVHFUIINHB-UHFFFAOYSA-N 0 0 563.371 5.779 40 5 KKBBRN O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000102629163 554989031 /nfs/dbraw/zinc/98/90/31/554989031.db2.gz VATVYAJQAIKSHH-UHFFFAOYSA-N 0 0 568.947 6.220 40 5 KKBBRN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102748567 555042837 /nfs/dbraw/zinc/04/28/37/555042837.db2.gz JUHLQQJCOCXAQM-KWXIBIRDSA-N 0 0 531.565 5.224 40 5 KKBBRN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000102869538 555099146 /nfs/dbraw/zinc/09/91/46/555099146.db2.gz KNSZFXQHZICIMJ-RRGUOAIQSA-N 0 0 589.670 5.645 40 5 KKBBRN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060457 555241631 /nfs/dbraw/zinc/24/16/31/555241631.db2.gz RTWWHVYTDFRGAQ-KMWKJMJFSA-N 0 0 625.725 7.574 40 5 KKBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000103117300 555288850 /nfs/dbraw/zinc/28/88/50/555288850.db2.gz OKFBKUZRCISHQN-KHEIYWBMSA-N 0 0 537.403 5.887 40 5 KKBBRN 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571362297 /nfs/dbraw/zinc/36/22/97/571362297.db2.gz FANHPAYEYHFKCV-SAGCDJCOSA-N 0 0 589.648 5.945 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000103863637 571367875 /nfs/dbraw/zinc/36/78/75/571367875.db2.gz LTPNIXIAEGXZBE-GWXNNEATSA-N 0 0 596.708 6.251 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3C)cc2s1 ZINC000103881242 571368499 /nfs/dbraw/zinc/36/84/99/571368499.db2.gz IDDJISOKABNOCH-UHFFFAOYSA-N 0 0 578.701 6.032 40 5 KKBBRN Cn1c(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)nnc1-c1ccccc1 ZINC000103892729 571368662 /nfs/dbraw/zinc/36/86/62/571368662.db2.gz VOZRLJVSDOCNQM-UHFFFAOYSA-N 0 0 548.675 6.023 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103891609 571368734 /nfs/dbraw/zinc/36/87/34/571368734.db2.gz OPPXDQAAOSJDKC-MRWVFDTMSA-N 0 0 591.645 5.504 40 5 KKBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)n1C 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O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C1=O)Nc1ccccc1 ZINC000106710111 571415167 /nfs/dbraw/zinc/41/51/67/571415167.db2.gz FEMJNLYWZKWTNT-OYKKKHCWSA-N 0 0 512.547 5.273 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000106719315 571415756 /nfs/dbraw/zinc/41/57/56/571415756.db2.gz HLSNGZPBFMFETD-YSMPRRRNSA-N 0 0 575.440 7.326 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106722379 571415980 /nfs/dbraw/zinc/41/59/80/571415980.db2.gz XWTSPCJLSPSFCD-MSXFZWOLSA-N 0 0 538.412 7.141 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106724350 571416084 /nfs/dbraw/zinc/41/60/84/571416084.db2.gz HESZHUNDOVKQBZ-OYKKKHCWSA-N 0 0 569.433 6.572 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106725473 571416354 /nfs/dbraw/zinc/41/63/54/571416354.db2.gz GQMUVRZYPHDCGB-NDENLUEZSA-N 0 0 542.367 5.790 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1C ZINC000106727525 571416396 /nfs/dbraw/zinc/41/63/96/571416396.db2.gz RJQUJLHCHRVWQZ-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN CCCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC ZINC000106727039 571416416 /nfs/dbraw/zinc/41/64/16/571416416.db2.gz LMYSWMOFIPJXPT-UNOMPAQXSA-N 0 0 521.389 5.781 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222954145 571416866 /nfs/dbraw/zinc/41/68/66/571416866.db2.gz SXIDCCBJJJEVNL-AREMUKBSSA-N 0 0 542.463 5.856 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000106739669 571417198 /nfs/dbraw/zinc/41/71/98/571417198.db2.gz PROFBXJEBVICEY-FMCGGJTJSA-N 0 0 528.945 6.211 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2c(F)cccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740540 571417211 /nfs/dbraw/zinc/41/72/11/571417211.db2.gz YWQCNXJDWIQMSG-JJFYIABZSA-N 0 0 577.815 6.965 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000106743438 571417343 /nfs/dbraw/zinc/41/73/43/571417343.db2.gz VBFFLHWYHLULOP-FMCGGJTJSA-N 0 0 545.400 6.726 40 5 KKBBRN CC(C)(C)c1ccc(OCCOc2cccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 ZINC000106743569 571417376 /nfs/dbraw/zinc/41/73/76/571417376.db2.gz GIKLIFPYMAXXRD-ITYLOYPMSA-N 0 0 532.618 6.587 40 5 KKBBRN O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106743346 571417405 /nfs/dbraw/zinc/41/74/05/571417405.db2.gz NLHXPBJLHAGGEM-NHDPSOOVSA-N 0 0 545.451 6.551 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(I)cc1 ZINC000106751031 571417529 /nfs/dbraw/zinc/41/75/29/571417529.db2.gz FZYFNLBHTVMOJC-ODLFYWEKSA-N 0 0 559.341 5.623 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1 ZINC000106759435 571418007 /nfs/dbraw/zinc/41/80/07/571418007.db2.gz KICVGXDXRHDSAS-HAHDFKILSA-N 0 0 555.406 6.052 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222984323 571419448 /nfs/dbraw/zinc/41/94/48/571419448.db2.gz KAMIFCBJKADMQP-SANMLTNESA-N 0 0 588.488 5.701 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107645328 571420688 /nfs/dbraw/zinc/42/06/88/571420688.db2.gz GINTXMYWBHDZIL-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223011362 571421490 /nfs/dbraw/zinc/42/14/90/571421490.db2.gz LLGRFJYIWOHRTH-IBGZPJMESA-N 0 0 681.993 5.076 40 5 KKBBRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107982187 571421969 /nfs/dbraw/zinc/42/19/69/571421969.db2.gz DTSARASWDAQLNP-UHFFFAOYSA-N 0 0 514.588 6.567 40 5 KKBBRN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108166565 571422563 /nfs/dbraw/zinc/42/25/63/571422563.db2.gz KZYGPGBTOFYXFA-UHFFFAOYSA-N 0 0 529.424 6.114 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000108280038 571423095 /nfs/dbraw/zinc/42/30/95/571423095.db2.gz GYVVFSBHDINCMR-UHFFFAOYSA-N 0 0 528.952 6.299 40 5 KKBBRN CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223042600 571425059 /nfs/dbraw/zinc/42/50/59/571425059.db2.gz IAZUVGPITZTZJB-HHHXNRCGSA-N 0 0 551.665 5.253 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223049965 571425989 /nfs/dbraw/zinc/42/59/89/571425989.db2.gz AJWPMJJISLNGSN-FGZHOGPDSA-N 0 0 631.151 5.093 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223054045 571426449 /nfs/dbraw/zinc/42/64/49/571426449.db2.gz YAJKJLUXEBRULS-NHCUHLMSSA-N 0 0 665.596 5.746 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000111465667 571432543 /nfs/dbraw/zinc/43/25/43/571432543.db2.gz RMJFDIQGCHBGAD-ZHGFHMGHSA-N 0 0 607.644 5.112 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1 ZINC000111468542 571432730 /nfs/dbraw/zinc/43/27/30/571432730.db2.gz IKCUTEGYAPUZBT-UNDLXJOSSA-N 0 0 622.659 5.059 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)c1 ZINC000111468536 571432791 /nfs/dbraw/zinc/43/27/91/571432791.db2.gz RCFMJBGLZJRDJS-UNDLXJOSSA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000111470003 571432938 /nfs/dbraw/zinc/43/29/38/571432938.db2.gz YULMBBIOSWPQNU-FWESEHMYSA-N 0 0 609.635 5.551 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000111470361 571433004 /nfs/dbraw/zinc/43/30/04/571433004.db2.gz HZOZERJPRCYFKJ-UNDLXJOSSA-N 0 0 615.708 5.879 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000111470269 571433060 /nfs/dbraw/zinc/43/30/60/571433060.db2.gz ARYRYHJCGVNIHJ-PLNPHXOGSA-N 0 0 619.699 6.227 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 ZINC000111472855 571433206 /nfs/dbraw/zinc/43/32/06/571433206.db2.gz UZNWWOPKABTUOR-PKYOQBLNSA-N 0 0 610.623 5.190 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112241876 571435191 /nfs/dbraw/zinc/43/51/91/571435191.db2.gz MZHBCCIEHXAQTH-UHFFFAOYSA-N 0 0 588.045 6.173 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000112242539 571435276 /nfs/dbraw/zinc/43/52/76/571435276.db2.gz IYEWTBZLVBHXEB-UHFFFAOYSA-N 0 0 594.097 5.288 40 5 KKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112244164 571435449 /nfs/dbraw/zinc/43/54/49/571435449.db2.gz 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/nfs/dbraw/zinc/43/60/83/571436083.db2.gz NNYJWKKVGCQKMP-UHFFFAOYSA-N 0 0 582.034 6.192 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223152267 571437114 /nfs/dbraw/zinc/43/71/14/571437114.db2.gz MWABWGIVLKKISJ-XIFFEERXSA-N 0 0 658.777 5.192 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223152212 571437152 /nfs/dbraw/zinc/43/71/52/571437152.db2.gz MWABWGIVLKKISJ-MGBGTMOVSA-N 0 0 658.777 5.192 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223165605 571439473 /nfs/dbraw/zinc/43/94/73/571439473.db2.gz SWPROZXIHJPRBF-QFIPXVFZSA-N 0 0 631.151 5.094 40 5 KKBBRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000113633562 571441940 /nfs/dbraw/zinc/44/19/40/571441940.db2.gz OJHAHLXKLOCWKE-HXUWFJFHSA-N 0 0 539.654 5.282 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223203135 571444463 /nfs/dbraw/zinc/44/44/63/571444463.db2.gz NIYGNSVAJIAUSP-AREMUKBSSA-N 0 0 659.205 5.791 40 5 KKBBRN COc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000138246145 571451230 /nfs/dbraw/zinc/45/12/30/571451230.db2.gz BAIGDXDXECRXKU-MHZLTWQESA-N 0 0 509.562 5.102 40 5 KKBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223263158 571452308 /nfs/dbraw/zinc/45/23/08/571452308.db2.gz OJKMNOBKZVIBDG-QHCPKHFHSA-N 0 0 671.987 5.621 40 5 KKBBRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000139683208 571453421 /nfs/dbraw/zinc/45/34/21/571453421.db2.gz NLPQJIROIRTKSP-DEOSSOPVSA-N 0 0 590.098 5.673 40 5 KKBBRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C(C)C ZINC000223279102 571454036 /nfs/dbraw/zinc/45/40/36/571454036.db2.gz RICWZXZLJFRLDQ-HXUWFJFHSA-N 0 0 525.627 5.108 40 5 KKBBRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 ZINC000147935299 571456864 /nfs/dbraw/zinc/45/68/64/571456864.db2.gz ZLPARJNIRCATJY-JOCHJYFZSA-N 0 0 565.681 5.013 40 5 KKBBRN O=Cc1cccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)c1 ZINC000150342507 571458652 /nfs/dbraw/zinc/45/86/52/571458652.db2.gz RDBLHYFEBLZKNG-UHFFFAOYSA-N 0 0 642.762 11.351 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223319267 571459957 /nfs/dbraw/zinc/45/99/57/571459957.db2.gz INBDFKVJTUMUKQ-QDPGVEIFSA-N 0 0 533.694 5.691 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223326925 571461038 /nfs/dbraw/zinc/46/10/38/571461038.db2.gz UHLNJSGNBCWVKB-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223332448 571461610 /nfs/dbraw/zinc/46/16/10/571461610.db2.gz PLEJTPHZNDPFHH-MRXNPFEDSA-N 0 0 512.459 5.468 40 5 KKBBRN c1ccc(-n2c3ccccc3nc2-c2ccc(-c3ccc4c(c3)c(-c3ccc5ccccc5c3)c3ccccc3c4-c3ccc4ccccc4c3)cc2)cc1 ZINC000150354569 571463021 /nfs/dbraw/zinc/46/30/21/571463021.db2.gz VOZBMWWMIQGZGM-UHFFFAOYSA-N 0 0 698.869 14.306 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000150362847 571464092 /nfs/dbraw/zinc/46/40/92/571464092.db2.gz KHOVAQXZWCCUJG-KLVDZCJFSA-N 0 0 684.601 7.511 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 ZINC000150365443 571464573 /nfs/dbraw/zinc/46/45/73/571464573.db2.gz YDBRFTUWPFMXJZ-GMQJOBGYSA-N 0 0 697.143 7.454 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223354963 571464916 /nfs/dbraw/zinc/46/49/16/571464916.db2.gz DJKJIRYHYAVUSB-FQEVSTJZSA-N 0 0 700.041 6.401 40 5 KKBBRN O=C(O[C@@H]1CO[C@H](n2c(=O)oc3c2cc([N+](=O)[O-])cc3Cl)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369789 571465657 /nfs/dbraw/zinc/46/56/57/571465657.db2.gz WEAGHRCJBNUSEH-PXTYPYQWSA-N 0 0 659.003 5.362 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223368321 571466503 /nfs/dbraw/zinc/46/65/03/571466503.db2.gz GNTYMBLVJFPICY-SANMLTNESA-N 0 0 601.125 5.166 40 5 KKBBRN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000150384209 571468108 /nfs/dbraw/zinc/46/81/08/571468108.db2.gz JSEAJRMEZDSIFI-UHFFFAOYSA-N 0 0 618.446 7.712 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc(C)c(I)c3)OC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000150384121 571468125 /nfs/dbraw/zinc/46/81/25/571468125.db2.gz OFBHGHFJTYUSBH-FBHDLOMBSA-N 0 0 696.235 6.045 40 5 KKBBRN O=C1OC(c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)(c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c2ccccc21 ZINC000150384207 571468150 /nfs/dbraw/zinc/46/81/50/571468150.db2.gz IWHUPKOPZTWUIV-UHFFFAOYSA-N 0 0 666.558 5.567 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223379112 571468157 /nfs/dbraw/zinc/46/81/57/571468157.db2.gz VXTLHZSZPMBNNC-INIZCTEOSA-N 0 0 512.459 5.468 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223398099 571471293 /nfs/dbraw/zinc/47/12/93/571471293.db2.gz PBSKLVJRVGEZFR-OAQYLSRUSA-N 0 0 665.596 5.748 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150391879 571474223 /nfs/dbraw/zinc/47/42/23/571474223.db2.gz FLGUOJCHWINKHA-OINPTKSXSA-N 0 0 642.089 5.766 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000150392470 571474536 /nfs/dbraw/zinc/47/45/36/571474536.db2.gz DPKAVMULFDZZRX-WGJPBTIMSA-N 0 0 653.713 5.917 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150394595 571475616 /nfs/dbraw/zinc/47/56/16/571475616.db2.gz LIIGXLRLZOOLLE-POKSHJSXSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000150394847 571475778 /nfs/dbraw/zinc/47/57/78/571475778.db2.gz HJOJSFLMWVVUKY-FWESEHMYSA-N 0 0 625.634 5.252 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150394886 571475790 /nfs/dbraw/zinc/47/57/90/571475790.db2.gz MAGQYYIWHNOGBQ-KXAYOSJRSA-N 0 0 664.498 6.550 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150395098 571475813 /nfs/dbraw/zinc/47/58/13/571475813.db2.gz LZEFUBDXTGGHDG-PLNPHXOGSA-N 0 0 635.673 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150395547 571476039 /nfs/dbraw/zinc/47/60/39/571476039.db2.gz JIXDBVXMSZTQLX-POKSHJSXSA-N 0 0 637.739 6.134 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000150396235 571476374 /nfs/dbraw/zinc/47/63/74/571476374.db2.gz XWNRASRBBBVHQY-KMCFWPMWSA-N 0 0 654.144 6.881 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150396550 571476634 /nfs/dbraw/zinc/47/66/34/571476634.db2.gz XUBSRKRBUCMRGI-KUSDHMTMSA-N 0 0 637.739 6.134 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150401139 571478120 /nfs/dbraw/zinc/47/81/20/571478120.db2.gz YWBAETQJFHDQIL-FVUNBJOLSA-N 0 0 806.476 7.182 40 5 KKBBRN Cc1ccc(CCNC(=O)c2ccc(Br)c3oc4c(Br)c(=O)c(N)c(C(=O)NCCc5ccc(C)cc5)c-4nc23)cc1 ZINC000150402113 571478346 /nfs/dbraw/zinc/47/83/46/571478346.db2.gz QVKUVWWCAZRFFO-UHFFFAOYSA-N 0 0 692.408 5.962 40 5 KKBBRN Brc1cccc2c1nc1ccccc1c2SCCCCCCSc1c2ccccc2nc2c(Br)cccc21 ZINC000150408718 571480982 /nfs/dbraw/zinc/48/09/82/571480982.db2.gz HGCNIYSRVPAZPL-UHFFFAOYSA-N 0 0 662.516 11.059 40 5 KKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(OCc2ccc(COc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3)cc2)cc1 ZINC000150408652 571481013 /nfs/dbraw/zinc/48/10/13/571481013.db2.gz BPTDIRCYRDMBRK-UHFFFAOYSA-N 0 0 670.590 6.262 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223469660 571482023 /nfs/dbraw/zinc/48/20/23/571482023.db2.gz CLOFRBMXGINFAW-MHZLTWQESA-N 0 0 679.623 6.136 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223477275 571483547 /nfs/dbraw/zinc/48/35/47/571483547.db2.gz GVSPZCSGZFJTDD-WJOKGBTCSA-N 0 0 697.185 5.676 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223488348 571485635 /nfs/dbraw/zinc/48/56/35/571485635.db2.gz UYKRYNCWZSIMGW-JIPXPUAJSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223489958 571485809 /nfs/dbraw/zinc/48/58/09/571485809.db2.gz CTYBCVXPLUEHNF-RXFWQSSRSA-N 0 0 508.018 5.346 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000150418853 571486685 /nfs/dbraw/zinc/48/66/85/571486685.db2.gz YDGNUMAVICFUHZ-UPWSPCOFSA-N 0 0 739.557 5.577 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223498369 571487231 /nfs/dbraw/zinc/48/72/31/571487231.db2.gz SKCVCNSEHSXRMS-NRFANRHFSA-N 0 0 526.486 5.857 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224160397 571488355 /nfs/dbraw/zinc/48/83/55/571488355.db2.gz LUIFKHNLWGQNPB-VWLOTQADSA-N 0 0 631.151 5.012 40 5 KKBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)c2ccccc2C(C2=CC=C(Br)CC2)=NN3c2ccccc2)cc1 ZINC000150425650 571489912 /nfs/dbraw/zinc/48/99/12/571489912.db2.gz GIAUJCPYNGTSAZ-MGBGTMOVSA-N 0 0 634.559 8.544 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224178585 571491634 /nfs/dbraw/zinc/49/16/34/571491634.db2.gz JRURXVDYOIJDCK-JGCGQSQUSA-N 0 0 727.667 6.580 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223519705 571492532 /nfs/dbraw/zinc/49/25/32/571492532.db2.gz WQFNLAOULGZBTD-VWLOTQADSA-N 0 0 714.068 6.789 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223528459 571494947 /nfs/dbraw/zinc/49/49/47/571494947.db2.gz XJQXXLVJDWMOIV-UHFFFAOYSA-N 0 0 501.520 5.328 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224206995 571496769 /nfs/dbraw/zinc/49/67/69/571496769.db2.gz WRXORGKFSUKCRO-UMSFTDKQSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223544999 571498700 /nfs/dbraw/zinc/49/87/00/571498700.db2.gz KASWPTPXGXFBDJ-ZBLYBZFDSA-N 0 0 554.112 6.036 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223552315 571500046 /nfs/dbraw/zinc/50/00/46/571500046.db2.gz NSJFIZNBIJHXAB-ZOYWYXQUSA-N 0 0 663.196 5.998 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224228165 571501624 /nfs/dbraw/zinc/50/16/24/571501624.db2.gz HHPKVRHWZOMKGH-MHZLTWQESA-N 0 0 533.694 5.691 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000150449896 571502204 /nfs/dbraw/zinc/50/22/04/571502204.db2.gz WHUILLXMHGBPRO-PFBJBMPXSA-N 0 0 650.463 5.176 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223564787 571503057 /nfs/dbraw/zinc/50/30/57/571503057.db2.gz COKNJDCZMQWDQX-VWLOTQADSA-N 0 0 714.068 6.789 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223568293 571504036 /nfs/dbraw/zinc/50/40/36/571504036.db2.gz UERJVTQZCKVEHQ-OGVWKLGRSA-N 0 0 741.694 6.969 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000150454885 571504159 /nfs/dbraw/zinc/50/41/59/571504159.db2.gz KCQXYCBKGSSDBT-OCBJUFRSSA-N 0 0 629.647 5.202 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224239526 571504246 /nfs/dbraw/zinc/50/42/46/571504246.db2.gz UYVICIWZIJMBPZ-UMSFTDKQSA-N 0 0 686.831 5.970 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223571467 571504894 /nfs/dbraw/zinc/50/48/94/571504894.db2.gz ZQWLANATOGKTDC-HKBQPEDESA-N 0 0 758.091 6.299 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150459165 571505733 /nfs/dbraw/zinc/50/57/33/571505733.db2.gz QLILIUKZJVGRAQ-FMCGGJTJSA-N 0 0 619.471 5.679 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223587975 571508549 /nfs/dbraw/zinc/50/85/49/571508549.db2.gz UZEVVNSKPRJPED-IBVKSMDESA-N 0 0 554.043 5.190 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223601484 571511223 /nfs/dbraw/zinc/51/12/23/571511223.db2.gz DPXBQMQUNKNNMB-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223602923 571511760 /nfs/dbraw/zinc/51/17/60/571511760.db2.gz POMKOXPBVOIZKA-RXFWQSSRSA-N 0 0 508.018 5.346 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223609089 571513000 /nfs/dbraw/zinc/51/30/00/571513000.db2.gz JDZHFVHOCBKRQK-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] ZINC000150485975 571516259 /nfs/dbraw/zinc/51/62/59/571516259.db2.gz UTAWEGRKOOSKCV-UHFFFAOYSA-N 0 0 667.279 6.296 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223646317 571519955 /nfs/dbraw/zinc/51/99/55/571519955.db2.gz ZMOQGIHSNRUBDN-PMERELPUSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223664167 571522843 /nfs/dbraw/zinc/52/28/43/571522843.db2.gz WTEBVZRPDAQPBX-ZOYWYXQUSA-N 0 0 646.741 5.484 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223680166 571525647 /nfs/dbraw/zinc/52/56/47/571525647.db2.gz MKFMMSNCEHUZFF-HHHXNRCGSA-N 0 0 659.205 5.793 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150653172 571525858 /nfs/dbraw/zinc/52/58/58/571525858.db2.gz QEJZTYOUXZYPKY-IPAKXIGBSA-N 0 0 682.582 6.299 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223688152 571527099 /nfs/dbraw/zinc/52/70/99/571527099.db2.gz PVVQADTXOIPHCI-XMMPIXPASA-N 0 0 514.409 5.220 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223693714 571528358 /nfs/dbraw/zinc/52/83/58/571528358.db2.gz MGNFPCDXTPYZCG-SSEXGKCCSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223698281 571529192 /nfs/dbraw/zinc/52/91/92/571529192.db2.gz BHYJAESKRBUIHS-SANMLTNESA-N 0 0 659.205 5.525 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223698336 571529218 /nfs/dbraw/zinc/52/92/18/571529218.db2.gz BHYJAESKRBUIHS-AREMUKBSSA-N 0 0 659.205 5.525 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224362591 571530282 /nfs/dbraw/zinc/53/02/82/571530282.db2.gz MOOTYSLHBLHODD-WJOKGBTCSA-N 0 0 663.196 5.998 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161915275 571531288 /nfs/dbraw/zinc/53/12/88/571531288.db2.gz QPLFNTYSLYHHSF-UHFFFAOYSA-N 0 0 661.909 6.778 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000161940654 571531546 /nfs/dbraw/zinc/53/15/46/571531546.db2.gz KZLORDNEHRESAG-UHFFFAOYSA-N 0 0 622.320 6.532 40 5 KKBBRN O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161944381 571531763 /nfs/dbraw/zinc/53/17/63/571531763.db2.gz HMVQLJYKLHRBPI-UHFFFAOYSA-N 0 0 675.428 7.514 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n31)c1ccccc1CC2 ZINC000163196090 571532763 /nfs/dbraw/zinc/53/27/63/571532763.db2.gz VTMGCTDMMFBQAL-FVUNBJOLSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000163205075 571532814 /nfs/dbraw/zinc/53/28/14/571532814.db2.gz GPDIBEUVTOKOME-XDYZZPCYSA-N 0 0 759.476 7.340 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n31)c1ccccc1CC2 ZINC000163198729 571532929 /nfs/dbraw/zinc/53/29/29/571532929.db2.gz CGDMPVOOOBIKFA-AMQCUNCASA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000163208334 571533053 /nfs/dbraw/zinc/53/30/53/571533053.db2.gz VAFKNPLTILDETB-GONGWJOBSA-N 0 0 651.722 5.003 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163211527 571533072 /nfs/dbraw/zinc/53/30/72/571533072.db2.gz LKOXSMOASZFJET-KEPJHFNWSA-N 0 0 644.934 6.903 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000163220026 571533207 /nfs/dbraw/zinc/53/32/07/571533207.db2.gz UDZZXFOMMBKDSE-ITIZVALFSA-N 0 0 703.365 5.500 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223725269 571533237 /nfs/dbraw/zinc/53/32/37/571533237.db2.gz PHSPDMRKTIEYCM-XMMPIXPASA-N 0 0 560.434 5.065 40 5 KKBBRN O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163225557 571533449 /nfs/dbraw/zinc/53/34/49/571533449.db2.gz BUMXSRDPLWUFSN-IVQFASICSA-N 0 0 681.524 6.690 40 5 KKBBRN O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163243729 571534087 /nfs/dbraw/zinc/53/40/87/571534087.db2.gz NWNJCZVVBMNCON-MRWVFDTMSA-N 0 0 664.537 6.209 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000163256188 571534363 /nfs/dbraw/zinc/53/43/63/571534363.db2.gz ROPGMPVFPLMVAA-BPOMCQNBSA-N 0 0 645.737 6.213 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163275038 571534607 /nfs/dbraw/zinc/53/46/07/571534607.db2.gz JPAMBFFPDNVBIL-FFWTUWPMSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163289862 571534934 /nfs/dbraw/zinc/53/49/34/571534934.db2.gz DQBLWTDGMJCTSB-SXDQJOKOSA-N 0 0 789.502 7.348 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163306718 571535378 /nfs/dbraw/zinc/53/53/78/571535378.db2.gz QUVDOTWIGASXCW-IVQFASICSA-N 0 0 729.450 7.331 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000163455479 571535673 /nfs/dbraw/zinc/53/56/73/571535673.db2.gz XTANJKSXHDNFPR-WXKAHTKJSA-N 0 0 655.773 6.198 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N1 ZINC000163456086 571535726 /nfs/dbraw/zinc/53/57/26/571535726.db2.gz DLTYJPUPBNQKNC-VSQRRKBNSA-N 0 0 655.773 6.198 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224388266 571535783 /nfs/dbraw/zinc/53/57/83/571535783.db2.gz JNBUCTZRDZJUGX-MHZLTWQESA-N 0 0 675.179 5.766 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000163467331 571535798 /nfs/dbraw/zinc/53/57/98/571535798.db2.gz UXBVWBDSNKVJKB-HZHHUVPKSA-N 0 0 781.669 6.802 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000163466173 571535830 /nfs/dbraw/zinc/53/58/30/571535830.db2.gz FYSMDZHCEGYKBE-ISZRBDKASA-N 0 0 704.643 6.952 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000163466625 571535894 /nfs/dbraw/zinc/53/58/94/571535894.db2.gz WUAAEFJHPPKOJI-DDIUQFJASA-N 0 0 877.539 7.398 40 5 KKBBRN CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 ZINC000163488506 571535978 /nfs/dbraw/zinc/53/59/78/571535978.db2.gz PABVHWMSTBXLTO-GDLZYMKVSA-N 0 0 681.431 8.425 40 5 KKBBRN CCc1ccc(C2(c3ccc(CC)cc3)S[C@@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000163487975 571536107 /nfs/dbraw/zinc/53/61/07/571536107.db2.gz SFRJXOUAYVGDFZ-LHEWISCISA-N 0 0 641.818 9.318 40 5 KKBBRN O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163500575 571536282 /nfs/dbraw/zinc/53/62/82/571536282.db2.gz RDTXGYDWBYINCQ-IVQFASICSA-N 0 0 857.895 7.669 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163537679 571536510 /nfs/dbraw/zinc/53/65/10/571536510.db2.gz WKZDPSHKVLQRCC-OXDPQRGISA-N 0 0 666.643 5.683 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163624892 571538151 /nfs/dbraw/zinc/53/81/51/571538151.db2.gz MEBYQSROXGXSAY-DKOMQPSQSA-N 0 0 791.813 7.551 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163624983 571538167 /nfs/dbraw/zinc/53/81/67/571538167.db2.gz MEBYQSROXGXSAY-IZBTWGKQSA-N 0 0 791.813 7.551 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224410189 571540046 /nfs/dbraw/zinc/54/00/46/571540046.db2.gz ADNKKJXKQMSTJQ-QHCPKHFHSA-N 0 0 538.497 6.001 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000163690831 571540207 /nfs/dbraw/zinc/54/02/07/571540207.db2.gz YKNMKXNMEFRZEH-IYVASWNSSA-N 0 0 725.530 5.187 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224413446 571540859 /nfs/dbraw/zinc/54/08/59/571540859.db2.gz AVHZJOGZKAMPAK-AREMUKBSSA-N 0 0 651.569 5.357 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163707505 571541102 /nfs/dbraw/zinc/54/11/02/571541102.db2.gz MDQNZXWJNVODBL-SUAMDDGLSA-N 0 0 632.676 5.129 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223768758 571541108 /nfs/dbraw/zinc/54/11/08/571541108.db2.gz PXARRCGUHFNCTM-ZBLYBZFDSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163707749 571541116 /nfs/dbraw/zinc/54/11/16/571541116.db2.gz BWOLTBJQOVKJRV-SUAMDDGLSA-N 0 0 632.676 5.129 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223768809 571541173 /nfs/dbraw/zinc/54/11/73/571541173.db2.gz PXARRCGUHFNCTM-IDISGSTGSA-N 0 0 598.563 6.145 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223770184 571541276 /nfs/dbraw/zinc/54/12/76/571541276.db2.gz FQCRAUREHADYQE-RXFWQSSRSA-N 0 0 552.469 5.455 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163711269 571541277 /nfs/dbraw/zinc/54/12/77/571541277.db2.gz BIMISKCKYUXTKQ-ZJTZAHLKSA-N 0 0 662.702 5.138 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224415159 571541346 /nfs/dbraw/zinc/54/13/46/571541346.db2.gz REGMPSNPWRTHJP-SANMLTNESA-N 0 0 584.536 5.757 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163737793 571542344 /nfs/dbraw/zinc/54/23/44/571542344.db2.gz ANUIUKGXGAEMMZ-KMCFWPMWSA-N 0 0 635.698 5.447 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163742734 571542493 /nfs/dbraw/zinc/54/24/93/571542493.db2.gz DFZZXJDZGWXKBB-GORIGYSASA-N 0 0 696.694 5.577 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163745925 571542526 /nfs/dbraw/zinc/54/25/26/571542526.db2.gz IXZSPVVQEWMLGI-VPHSIRQSSA-N 0 0 628.663 5.530 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000163752071 571542696 /nfs/dbraw/zinc/54/26/96/571542696.db2.gz BVHXDHKSHYDBMR-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163759694 571542830 /nfs/dbraw/zinc/54/28/30/571542830.db2.gz YLVYHSFQGDTVHW-SUAMDDGLSA-N 0 0 636.524 5.852 40 5 KKBBRN O=c1/c(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163770218 571543028 /nfs/dbraw/zinc/54/30/28/571543028.db2.gz RZKPEMCDYVFLKX-VEQPPNEOSA-N 0 0 798.340 8.638 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000163915993 571543452 /nfs/dbraw/zinc/54/34/52/571543452.db2.gz OCQSZOSZEQNBFD-IYVASWNSSA-N 0 0 651.053 5.069 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000163916462 571543459 /nfs/dbraw/zinc/54/34/59/571543459.db2.gz HZZOZBJDYCMCDW-RWTNITNYSA-N 0 0 628.888 5.382 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224427820 571543755 /nfs/dbraw/zinc/54/37/55/571543755.db2.gz JLYPJHOQQYKMLZ-GDLZYMKVSA-N 0 0 691.634 6.280 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000164007933 571544005 /nfs/dbraw/zinc/54/40/05/571544005.db2.gz MITUGMPVKNPRRY-IZBTWGKQSA-N 0 0 813.433 5.556 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2s1 ZINC000164035596 571544104 /nfs/dbraw/zinc/54/41/04/571544104.db2.gz ATIKUACWPNKHAF-UHFFFAOYSA-N 0 0 696.880 8.781 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)sc2=N1 ZINC000164185408 571544582 /nfs/dbraw/zinc/54/45/82/571544582.db2.gz KPQGMGQXZNCYIL-IMUCPKNRSA-N 0 0 643.718 5.083 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224444750 571547536 /nfs/dbraw/zinc/54/75/36/571547536.db2.gz PWMPPJPLCIJAAM-OAQYLSRUSA-N 0 0 538.428 5.155 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164512901 571549018 /nfs/dbraw/zinc/54/90/18/571549018.db2.gz NQHDVTQYGBCMML-SVXDAGRPSA-N 0 0 648.653 5.544 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000164514749 571549104 /nfs/dbraw/zinc/54/91/04/571549104.db2.gz FEOQBBXRPNYAGZ-JOHYPREOSA-N 0 0 647.709 5.431 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224457474 571550346 /nfs/dbraw/zinc/55/03/46/571550346.db2.gz JFIGTIOOGANHSD-RUZDIDTESA-N 0 0 528.436 5.610 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224458743 571550638 /nfs/dbraw/zinc/55/06/38/571550638.db2.gz YAAOOXJJJVQVHY-XMMPIXPASA-N 0 0 686.014 6.011 40 5 KKBBRN O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164754434 571550865 /nfs/dbraw/zinc/55/08/65/571550865.db2.gz VZESBXLLWJBNOF-KOHOJCOXSA-N 0 0 668.544 6.708 40 5 KKBBRN O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164754320 571550987 /nfs/dbraw/zinc/55/09/87/571550987.db2.gz VZESBXLLWJBNOF-DXUGRCAZSA-N 0 0 668.544 6.708 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224460402 571551106 /nfs/dbraw/zinc/55/11/06/571551106.db2.gz XPJWDRZUNBDDKJ-AREMUKBSSA-N 0 0 598.563 6.145 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223813809 571553024 /nfs/dbraw/zinc/55/30/24/571553024.db2.gz BPVABDCULGWKRQ-SANMLTNESA-N 0 0 663.168 5.623 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223815835 571553717 /nfs/dbraw/zinc/55/37/17/571553717.db2.gz ZZXORKOLHAXEGL-CCLHPLFOSA-N 0 0 588.557 6.690 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224473079 571554028 /nfs/dbraw/zinc/55/40/28/571554028.db2.gz YCRGNELHWYKHCA-XIFFEERXSA-N 0 0 727.667 6.580 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223820720 571555973 /nfs/dbraw/zinc/55/59/73/571555973.db2.gz NGHSDBMXKGUUJC-CCLHPLFOSA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223820708 571555990 /nfs/dbraw/zinc/55/59/90/571555990.db2.gz NGHSDBMXKGUUJC-NFQMXDRXSA-N 0 0 635.570 5.222 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224484949 571557139 /nfs/dbraw/zinc/55/71/39/571557139.db2.gz WGIVFDJEXUOTME-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223834104 571558666 /nfs/dbraw/zinc/55/86/66/571558666.db2.gz ZUHNQRBHMAWLCY-AREMUKBSSA-N 0 0 714.068 6.791 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224492889 571559362 /nfs/dbraw/zinc/55/93/62/571559362.db2.gz IHDGNLYIODCMLR-VWLOTQADSA-N 0 0 552.469 5.455 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224494780 571559852 /nfs/dbraw/zinc/55/98/52/571559852.db2.gz IJHGKNOWFWUNLR-AREMUKBSSA-N 0 0 651.569 5.357 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224496220 571560166 /nfs/dbraw/zinc/56/01/66/571560166.db2.gz SSFHHVSVUKLTSZ-HKBQPEDESA-N 0 0 707.647 6.107 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224502606 571561808 /nfs/dbraw/zinc/56/18/08/571561808.db2.gz IZNLVIWSOCHJME-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224502771 571562059 /nfs/dbraw/zinc/56/20/59/571562059.db2.gz KYHKNSRWJQXRFQ-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 ZINC000224507153 571562786 /nfs/dbraw/zinc/56/27/86/571562786.db2.gz VUAJIIRKHUROQR-XZOQPEGZSA-N 0 0 520.412 5.720 40 5 KKBBRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 ZINC000195529885 571563503 /nfs/dbraw/zinc/56/35/03/571563503.db2.gz FYYVHDDLHRDNTP-GWZHAIQQSA-N 0 0 520.557 6.181 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197764400 571564522 /nfs/dbraw/zinc/56/45/22/571564522.db2.gz QIVACMBTMSYRCJ-JOCHJYFZSA-N 0 0 600.126 5.841 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 ZINC000224516879 571564593 /nfs/dbraw/zinc/56/45/93/571564593.db2.gz UGSGRXRNBRBPIP-GOTSBHOMSA-N 0 0 521.396 6.189 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000197764177 571564617 /nfs/dbraw/zinc/56/46/17/571564617.db2.gz KWANZYOCEDMWIM-DEOSSOPVSA-N 0 0 593.735 5.804 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000197829034 571565441 /nfs/dbraw/zinc/56/54/41/571565441.db2.gz LCLZZMIJMCWCRL-UHFFFAOYSA-N 0 0 638.724 5.163 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224523043 571566025 /nfs/dbraw/zinc/56/60/25/571566025.db2.gz XBLGRMRMMFMHCG-NRFANRHFSA-N 0 0 538.428 5.155 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224523332 571566069 /nfs/dbraw/zinc/56/60/69/571566069.db2.gz SVURTZOPDXDSLM-SANMLTNESA-N 0 0 588.557 6.690 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000197952199 571566263 /nfs/dbraw/zinc/56/62/63/571566263.db2.gz CBBPVHLCSGQMDK-UHFFFAOYSA-N 0 0 650.153 6.928 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223877972 571566421 /nfs/dbraw/zinc/56/64/21/571566421.db2.gz HHVRDXRHNWZHCS-CAQRMWTPSA-N 0 0 776.139 7.622 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000198310617 571566901 /nfs/dbraw/zinc/56/69/01/571566901.db2.gz BGIGLADUCIVWTP-UHFFFAOYSA-N 0 0 634.614 5.248 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198310941 571566925 /nfs/dbraw/zinc/56/69/25/571566925.db2.gz CPDFOIWFAKXJKR-UHFFFAOYSA-N 0 0 679.560 5.853 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000200002263 571569158 /nfs/dbraw/zinc/56/91/58/571569158.db2.gz OENHQHLEOONYIE-JHIHEJNFSA-N 0 0 536.888 12.606 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000205666722 571569693 /nfs/dbraw/zinc/56/96/93/571569693.db2.gz LRUJXDVKTJQTNY-ZMOGYAJESA-N 0 0 542.972 6.602 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000205698139 571570229 /nfs/dbraw/zinc/57/02/29/571570229.db2.gz OMFKQPHUSOVNAS-YDZHTSKRSA-N 0 0 650.878 7.067 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223901938 571571281 /nfs/dbraw/zinc/57/12/81/571571281.db2.gz SIZUDMYVSUCKSI-JOCHJYFZSA-N 0 0 526.486 5.859 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223901991 571571315 /nfs/dbraw/zinc/57/13/15/571571315.db2.gz SIZUDMYVSUCKSI-QFIPXVFZSA-N 0 0 526.486 5.859 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 ZINC000205872975 571571968 /nfs/dbraw/zinc/57/19/68/571571968.db2.gz UJZFODQAFDJLFT-YBFXNURJSA-N 0 0 625.295 5.358 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223908468 571572795 /nfs/dbraw/zinc/57/27/95/571572795.db2.gz YZMWRFKXTUMEQF-MHZLTWQESA-N 0 0 635.570 5.821 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223908405 571572809 /nfs/dbraw/zinc/57/28/09/571572809.db2.gz YZMWRFKXTUMEQF-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224555755 571573489 /nfs/dbraw/zinc/57/34/89/571573489.db2.gz XHYVTMJAFREKIA-YTTGMZPUSA-N 0 0 762.112 7.234 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208358738 571573814 /nfs/dbraw/zinc/57/38/14/571573814.db2.gz BVVJJMPKEUKPFQ-NAIWQIQESA-N 0 0 674.529 5.891 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000208360598 571573959 /nfs/dbraw/zinc/57/39/59/571573959.db2.gz NKUCWEOLTJURCA-CCLVUABDSA-N 0 0 609.660 5.437 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208358777 571574010 /nfs/dbraw/zinc/57/40/10/571574010.db2.gz BVVJJMPKEUKPFQ-YIECNSLDSA-N 0 0 674.529 5.891 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223920931 571575576 /nfs/dbraw/zinc/57/55/76/571575576.db2.gz FJAXKTXSGSIZSK-FQEVSTJZSA-N 0 0 712.052 6.543 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224567335 571576234 /nfs/dbraw/zinc/57/62/34/571576234.db2.gz XODKCNOVVBXUEK-SANMLTNESA-N 0 0 635.570 5.222 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214038349 571577243 /nfs/dbraw/zinc/57/72/43/571577243.db2.gz BIWZQUPPZCFLNU-WSDLNYQXSA-N 0 0 507.480 5.540 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214064886 571577322 /nfs/dbraw/zinc/57/73/22/571577322.db2.gz MGVVQITTWHQDOP-SSDVNMTOSA-N 0 0 541.925 6.194 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214064604 571577456 /nfs/dbraw/zinc/57/74/56/571577456.db2.gz ZHCBIYXHEPNGSP-FSJBWODESA-N 0 0 555.952 6.584 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214350367 571578521 /nfs/dbraw/zinc/57/85/21/571578521.db2.gz ZLJIJDFEOBVLMC-SSDVNMTOSA-N 0 0 525.470 5.680 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000214355797 571578745 /nfs/dbraw/zinc/57/87/45/571578745.db2.gz VUZMQCGZDCYDIF-UFFVCSGVSA-N 0 0 597.340 7.544 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214393341 571578837 /nfs/dbraw/zinc/57/88/37/571578837.db2.gz OZTYOHJUBVBPFR-LSFURLLWSA-N 0 0 599.370 7.958 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214421212 571579086 /nfs/dbraw/zinc/57/90/86/571579086.db2.gz BOEPQLARLPJYJP-FOKLQQMPSA-N 0 0 545.400 6.726 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223938555 571579357 /nfs/dbraw/zinc/57/93/57/571579357.db2.gz LTLQFBDCHKYIMH-HXUWFJFHSA-N 0 0 526.417 5.013 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214471495 571579396 /nfs/dbraw/zinc/57/93/96/571579396.db2.gz PJKKSHSAKFWJOZ-FSJBWODESA-N 0 0 598.431 5.620 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223939376 571579640 /nfs/dbraw/zinc/57/96/40/571579640.db2.gz KGVLEDDVDANZSF-LYZGTLIUSA-N 0 0 649.597 5.531 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214683401 571580372 /nfs/dbraw/zinc/58/03/72/571580372.db2.gz QPGBSKKDWPAOTO-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214806141 571581124 /nfs/dbraw/zinc/58/11/24/571581124.db2.gz WDVOUHZZIDTYBY-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214823893 571581298 /nfs/dbraw/zinc/58/12/98/571581298.db2.gz QXCLPSAMHKGGQY-UFFVCSGVSA-N 0 0 569.344 7.949 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214813161 571581311 /nfs/dbraw/zinc/58/13/11/571581311.db2.gz GPNLVQQEXUIGDX-FSJBWODESA-N 0 0 685.323 7.720 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214890864 571581817 /nfs/dbraw/zinc/58/18/17/571581817.db2.gz FBRFUBWPIZUHEY-UFFVCSGVSA-N 0 0 503.363 7.015 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224590739 571581997 /nfs/dbraw/zinc/58/19/97/571581997.db2.gz OAFVTCCVBRMGPD-HKBQPEDESA-N 0 0 697.641 6.652 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000214993483 571582328 /nfs/dbraw/zinc/58/23/28/571582328.db2.gz GYLWZKIHJSDAQY-OGLMXYFKSA-N 0 0 540.597 6.962 40 5 KKBBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl ZINC000214989578 571582424 /nfs/dbraw/zinc/58/24/24/571582424.db2.gz CDBOFAIXXHNTBM-CIAFOILYSA-N 0 0 512.927 5.921 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215021658 571582585 /nfs/dbraw/zinc/58/25/85/571582585.db2.gz UQVDLGLQWNEWAF-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215016400 571582587 /nfs/dbraw/zinc/58/25/87/571582587.db2.gz ZSAWGYPSNOQHJW-ZVHZXABRSA-N 0 0 535.534 5.717 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)o1 ZINC000215065597 571582866 /nfs/dbraw/zinc/58/28/66/571582866.db2.gz OGNVICOFELCIPX-RGVLZGJSSA-N 0 0 515.341 5.862 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215112501 571583030 /nfs/dbraw/zinc/58/30/30/571583030.db2.gz QXDLKTQTHYBMOE-AUEPDCJTSA-N 0 0 573.942 6.723 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224597749 571583170 /nfs/dbraw/zinc/58/31/70/571583170.db2.gz AXNBHTVGSCSSLJ-XIFFEERXSA-N 0 0 741.694 6.969 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215140029 571583413 /nfs/dbraw/zinc/58/34/13/571583413.db2.gz ZTINURLJGCDZCB-LSFURLLWSA-N 0 0 582.915 7.444 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000223957304 571583519 /nfs/dbraw/zinc/58/35/19/571583519.db2.gz XDSAIFGEHYZVHK-RRPNLBNLSA-N 0 0 527.606 5.264 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215193248 571583571 /nfs/dbraw/zinc/58/35/71/571583571.db2.gz CSEWGPQGXGBLRC-FSJBWODESA-N 0 0 670.403 7.646 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215178301 571583700 /nfs/dbraw/zinc/58/37/00/571583700.db2.gz MBQSQBHICJRTKI-NUGSKGIGSA-N 0 0 524.938 5.792 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl ZINC000215270184 571584447 /nfs/dbraw/zinc/58/44/47/571584447.db2.gz IGOZNTWYTWWTON-UFFVCSGVSA-N 0 0 529.889 6.324 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224610868 571586235 /nfs/dbraw/zinc/58/62/35/571586235.db2.gz TUTIKDUJJCZSDI-RUZDIDTESA-N 0 0 588.488 5.844 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224610818 571586246 /nfs/dbraw/zinc/58/62/46/571586246.db2.gz TUTIKDUJJCZSDI-VWLOTQADSA-N 0 0 588.488 5.844 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223974495 571586858 /nfs/dbraw/zinc/58/68/58/571586858.db2.gz VECAAXYMFHXMLG-UTONBFNKSA-N 0 0 658.777 5.354 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224617740 571587977 /nfs/dbraw/zinc/58/79/77/571587977.db2.gz WTLBTWZWEPLMND-HHHXNRCGSA-N 0 0 549.693 5.391 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224623055 571588979 /nfs/dbraw/zinc/58/89/79/571588979.db2.gz IAUWCULLUMTVEM-MUUNZHRXSA-N 0 0 671.216 5.669 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223985227 571589251 /nfs/dbraw/zinc/58/92/51/571589251.db2.gz GHAJETBHFRWTCH-JCVFDAPQSA-N 0 0 702.830 5.671 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215976195 571590223 /nfs/dbraw/zinc/59/02/23/571590223.db2.gz SKVIUPZUWVGTBQ-UHFFFAOYSA-N 0 0 665.168 6.949 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 ZINC000224653461 571596290 /nfs/dbraw/zinc/59/62/90/571596290.db2.gz ZBRCTXJOOASUEQ-IHLOFXLRSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224656889 571597031 /nfs/dbraw/zinc/59/70/31/571597031.db2.gz YDVICDUKBZFOTL-NRFANRHFSA-N 0 0 677.607 5.890 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224046309 571601545 /nfs/dbraw/zinc/60/15/45/571601545.db2.gz MTHKNWPQJYQTBA-XIFFEERXSA-N 0 0 707.249 6.235 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224681508 571602548 /nfs/dbraw/zinc/60/25/48/571602548.db2.gz IGDTVRZVELNHPT-KYJUHHDHSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224681554 571602577 /nfs/dbraw/zinc/60/25/77/571602577.db2.gz IGDTVRZVELNHPT-IHLOFXLRSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224684206 571603366 /nfs/dbraw/zinc/60/33/66/571603366.db2.gz FKXGHFKMLZOPSJ-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224685790 571603861 /nfs/dbraw/zinc/60/38/61/571603861.db2.gz CKNJUIDGETZDDP-SANMLTNESA-N 0 0 679.623 5.994 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224690932 571605214 /nfs/dbraw/zinc/60/52/14/571605214.db2.gz NGSNKJBWVYTDFX-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224070084 571606115 /nfs/dbraw/zinc/60/61/15/571606115.db2.gz UDENUHMEVXMHHD-FQEVSTJZSA-N 0 0 649.141 5.232 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224710240 571607923 /nfs/dbraw/zinc/60/79/23/571607923.db2.gz CWRKORGQSMPCNM-HHHXNRCGSA-N 0 0 601.125 5.023 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C ZINC000224104397 571610501 /nfs/dbraw/zinc/61/05/01/571610501.db2.gz NGVIAMATOJAZDS-RRPNLBNLSA-N 0 0 540.649 5.861 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000224104076 571610519 /nfs/dbraw/zinc/61/05/19/571610519.db2.gz XLCQEZOPSWDZDL-SVBPBHIXSA-N 0 0 540.649 5.861 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C ZINC000224104300 571610542 /nfs/dbraw/zinc/61/05/42/571610542.db2.gz NGVIAMATOJAZDS-SVBPBHIXSA-N 0 0 540.649 5.861 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224722439 571610626 /nfs/dbraw/zinc/61/06/26/571610626.db2.gz VWLQMOVLEGKVPK-SANMLTNESA-N 0 0 679.623 5.994 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C ZINC000224115159 571611635 /nfs/dbraw/zinc/61/16/35/571611635.db2.gz WBYLOTIJEPUNEF-SXOMAYOGSA-N 0 0 541.633 6.330 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224750139 571613726 /nfs/dbraw/zinc/61/37/26/571613726.db2.gz SXMLNXLPFAWDGH-IHLOFXLRSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224750410 571613750 /nfs/dbraw/zinc/61/37/50/571613750.db2.gz QTOZHFTZHQIBPD-LOYHVIPDSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224750274 571613794 /nfs/dbraw/zinc/61/37/94/571613794.db2.gz QTOZHFTZHQIBPD-KYJUHHDHSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224752660 571613996 /nfs/dbraw/zinc/61/39/96/571613996.db2.gz UOYBPFYHNDGFDD-KYJUHHDHSA-N 0 0 564.623 7.228 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 ZINC000224756158 571614284 /nfs/dbraw/zinc/61/42/84/571614284.db2.gz AQEHKNWULXQPQM-FIRIVFDPSA-N 0 0 594.649 7.236 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224759451 571614523 /nfs/dbraw/zinc/61/45/23/571614523.db2.gz LUKMPIOVCYZLGW-IHLOFXLRSA-N 0 0 564.623 7.228 40 5 KKBBRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224763159 571614882 /nfs/dbraw/zinc/61/48/82/571614882.db2.gz KFLGCFJHWHZESS-ROJLCIKYSA-N 0 0 626.207 8.687 40 5 KKBBRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000224764335 571614981 /nfs/dbraw/zinc/61/49/81/571614981.db2.gz VXFCENXBXMFEDA-WDYNHAJCSA-N 0 0 564.696 6.812 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 ZINC000224765717 571615089 /nfs/dbraw/zinc/61/50/89/571615089.db2.gz OFROSRORVPGRAW-KAYWLYCHSA-N 0 0 568.688 5.639 40 5 KKBBRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224766528 571615124 /nfs/dbraw/zinc/61/51/24/571615124.db2.gz ZFKAXKTZIKPUMH-IHLOFXLRSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 ZINC000224766681 571615162 /nfs/dbraw/zinc/61/51/62/571615162.db2.gz MEAAROIYIIYQQS-VMPREFPWSA-N 0 0 584.126 7.762 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 ZINC000224770963 571615532 /nfs/dbraw/zinc/61/55/32/571615532.db2.gz YZUDOSIOABDPBN-AJQTZOPKSA-N 0 0 591.762 7.785 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 ZINC000224771010 571615544 /nfs/dbraw/zinc/61/55/44/571615544.db2.gz YZUDOSIOABDPBN-ACHIHNKUSA-N 0 0 591.762 7.785 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224776497 571616076 /nfs/dbraw/zinc/61/60/76/571616076.db2.gz KXOSWZIMDXWEKS-QFIPXVFZSA-N 0 0 526.486 5.714 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C3CCCCC3)cc2)cc1 ZINC000224780420 571616351 /nfs/dbraw/zinc/61/63/51/571616351.db2.gz NYSLWRMDGUCEIA-WDYNHAJCSA-N 0 0 555.729 7.625 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000224781395 571616482 /nfs/dbraw/zinc/61/64/82/571616482.db2.gz VDIMWWNZWHYOPU-VMPREFPWSA-N 0 0 617.678 8.128 40 5 KKBBRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224781332 571616485 /nfs/dbraw/zinc/61/64/85/571616485.db2.gz XVESCZRPHVNMAD-CONSDPRKSA-N 0 0 592.750 7.175 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3F)cc2)cc1 ZINC000224781647 571616510 /nfs/dbraw/zinc/61/65/10/571616510.db2.gz IAUSDQDYRKQFEI-WDYNHAJCSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3F)cc2)cc1 ZINC000224781738 571616538 /nfs/dbraw/zinc/61/65/38/571616538.db2.gz IAUSDQDYRKQFEI-FQLXRVMXSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 ZINC000224781902 571616555 /nfs/dbraw/zinc/61/65/55/571616555.db2.gz LPPHSOKSHIQWHC-URLMMPGGSA-N 0 0 567.671 7.248 40 5 KKBBRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224782802 571616595 /nfs/dbraw/zinc/61/65/95/571616595.db2.gz AHMZGKDZDOYZTH-LOYHVIPDSA-N 0 0 579.707 7.117 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 ZINC000224782539 571616601 /nfs/dbraw/zinc/61/66/01/571616601.db2.gz WDCQPMFUABJSFB-FQLXRVMXSA-N 0 0 628.577 7.871 40 5 KKBBRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224782850 571616609 /nfs/dbraw/zinc/61/66/09/571616609.db2.gz AHMZGKDZDOYZTH-IHLOFXLRSA-N 0 0 579.707 7.117 40 5 KKBBRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl ZINC000224784424 571616806 /nfs/dbraw/zinc/61/68/06/571616806.db2.gz ZUIXCTFSAJYGLS-LOYHVIPDSA-N 0 0 598.153 8.071 40 5 KKBBRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl ZINC000224784509 571616815 /nfs/dbraw/zinc/61/68/15/571616815.db2.gz ZUIXCTFSAJYGLS-XZWHSSHBSA-N 0 0 598.153 8.071 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 ZINC000224784828 571616860 /nfs/dbraw/zinc/61/68/60/571616860.db2.gz HWNPSDSKDWVIFU-LQJZCPKCSA-N 0 0 599.741 8.262 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3ccccn3)cc2)cc1 ZINC000224785132 571616877 /nfs/dbraw/zinc/61/68/77/571616877.db2.gz YKNIAFXBBINVAI-URLMMPGGSA-N 0 0 564.696 6.563 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 ZINC000224787459 571617130 /nfs/dbraw/zinc/61/71/30/571617130.db2.gz QFQPHKLVNQIRGW-WDYNHAJCSA-N 0 0 619.555 8.885 40 5 KKBBRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224788283 571617174 /nfs/dbraw/zinc/61/71/74/571617174.db2.gz PHTYVGMLGYKRIX-XZWHSSHBSA-N 0 0 599.137 8.540 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 ZINC000224788529 571617232 /nfs/dbraw/zinc/61/72/32/571617232.db2.gz XMZYJTOLFHJGQV-FQLXRVMXSA-N 0 0 647.551 8.480 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 ZINC000224788442 571617243 /nfs/dbraw/zinc/61/72/43/571617243.db2.gz XMZYJTOLFHJGQV-WDYNHAJCSA-N 0 0 647.551 8.480 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789909 571617312 /nfs/dbraw/zinc/61/73/12/571617312.db2.gz ZIVCEEJPYCEOLN-KYJUHHDHSA-N 0 0 625.688 7.495 40 5 KKBBRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224789978 571617346 /nfs/dbraw/zinc/61/73/46/571617346.db2.gz RNYSBKYCYQMKKJ-JWQCQUIFSA-N 0 0 501.637 6.140 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224791097 571617442 /nfs/dbraw/zinc/61/74/42/571617442.db2.gz FUCMNMZIXVWSGW-SFHVURJKSA-N 0 0 504.052 5.348 40 5 KKBBRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224791620 571617461 /nfs/dbraw/zinc/61/74/61/571617461.db2.gz ALHRLRWQQILXSN-ZWXJPIIXSA-N 0 0 591.762 8.034 40 5 KKBBRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224792451 571617560 /nfs/dbraw/zinc/61/75/60/571617560.db2.gz JOWKYAVLOOVXFN-XZWHSSHBSA-N 0 0 607.717 6.895 40 5 KKBBRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224792834 571617599 /nfs/dbraw/zinc/61/75/99/571617599.db2.gz VXIYMZPVPUPUGL-XZWHSSHBSA-N 0 0 607.717 6.895 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224793195 571617656 /nfs/dbraw/zinc/61/76/56/571617656.db2.gz UERMTHDPLYOTOP-URLMMPGGSA-N 0 0 595.662 7.486 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224793231 571617666 /nfs/dbraw/zinc/61/76/66/571617666.db2.gz UERMTHDPLYOTOP-FQLXRVMXSA-N 0 0 595.662 7.486 40 5 KKBBRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 ZINC000224793337 571617671 /nfs/dbraw/zinc/61/76/71/571617671.db2.gz WSVZFUFJKTVENX-IHLOFXLRSA-N 0 0 608.701 7.365 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224795464 571617884 /nfs/dbraw/zinc/61/78/84/571617884.db2.gz LFSQZDATDNWMSS-JOCHJYFZSA-N 0 0 613.136 5.310 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224816749 571619814 /nfs/dbraw/zinc/61/98/14/571619814.db2.gz FYGCMJUEMQSXAJ-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224848311 571622862 /nfs/dbraw/zinc/62/28/62/571622862.db2.gz JBJGFBZSDQLCJR-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224851913 571623189 /nfs/dbraw/zinc/62/31/89/571623189.db2.gz IHBROGLWKZVHAD-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224857519 571623791 /nfs/dbraw/zinc/62/37/91/571623791.db2.gz DEWLQMBFMIWRGV-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224862646 571624319 /nfs/dbraw/zinc/62/43/19/571624319.db2.gz ZGYPCJHQSVJCLD-NRFANRHFSA-N 0 0 726.079 6.934 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224882142 571626245 /nfs/dbraw/zinc/62/62/45/571626245.db2.gz YCWUTXSYDIYDFT-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224884434 571626536 /nfs/dbraw/zinc/62/65/36/571626536.db2.gz UZVJGQDTODCLAQ-ZEQRLZLVSA-N 0 0 522.970 5.795 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224895107 571627634 /nfs/dbraw/zinc/62/76/34/571627634.db2.gz IXTBITCMDJFRMP-FQEVSTJZSA-N 0 0 651.569 5.357 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224905798 571628655 /nfs/dbraw/zinc/62/86/55/571628655.db2.gz IUMRVQNROGHYOY-QGZVFWFLSA-N 0 0 538.497 6.001 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224917424 571629700 /nfs/dbraw/zinc/62/97/00/571629700.db2.gz PCMGVWPIAMJNBP-NRFANRHFSA-N 0 0 726.079 6.934 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224936226 571631735 /nfs/dbraw/zinc/63/17/35/571631735.db2.gz QLSRNEKYWTVJDR-MHZLTWQESA-N 0 0 566.054 5.335 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000224938319 571631996 /nfs/dbraw/zinc/63/19/96/571631996.db2.gz JOMZEDIRYWUOBJ-ZEQRLZLVSA-N 0 0 534.439 6.029 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 ZINC000224943519 571632481 /nfs/dbraw/zinc/63/24/81/571632481.db2.gz KIRKITRXSUQRIP-JWQCQUIFSA-N 0 0 565.449 6.506 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224944982 571632561 /nfs/dbraw/zinc/63/25/61/571632561.db2.gz WYCYUINXMAYVKV-XIFFEERXSA-N 0 0 658.752 5.628 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224962720 571634318 /nfs/dbraw/zinc/63/43/18/571634318.db2.gz ROMWFSNLIRYSCB-WJOKGBTCSA-N 0 0 632.714 5.094 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224967636 571634815 /nfs/dbraw/zinc/63/48/15/571634815.db2.gz GXVBNHROKUKZJR-ZEQRLZLVSA-N 0 0 505.987 5.620 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224969920 571635045 /nfs/dbraw/zinc/63/50/45/571635045.db2.gz UELUOHAOCFMGFM-RPWUZVMVSA-N 0 0 506.971 6.089 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224985154 571636333 /nfs/dbraw/zinc/63/63/33/571636333.db2.gz FWUMGQLKARCRJE-AREMUKBSSA-N 0 0 584.536 5.755 40 5 KKBBRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224989373 571636821 /nfs/dbraw/zinc/63/68/21/571636821.db2.gz QXVMYHIRPXGTLT-VWLOTQADSA-N 0 0 636.771 5.016 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224992682 571637227 /nfs/dbraw/zinc/63/72/27/571637227.db2.gz RDWYKXRTAONDRJ-XIFFEERXSA-N 0 0 719.658 6.252 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 ZINC000225004046 571638323 /nfs/dbraw/zinc/63/83/23/571638323.db2.gz SNIUOVKOLSUWQL-URLMMPGGSA-N 0 0 574.106 7.317 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225024174 571639980 /nfs/dbraw/zinc/63/99/80/571639980.db2.gz NCARIIAPGCHOBP-LJAQVGFWSA-N 0 0 671.614 5.131 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225040829 571641339 /nfs/dbraw/zinc/64/13/39/571641339.db2.gz ZOBJNNBDWDHAGH-HKBQPEDESA-N 0 0 683.614 6.262 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225058986 571642946 /nfs/dbraw/zinc/64/29/46/571642946.db2.gz LSQTYKMRRMAPIY-MUUNZHRXSA-N 0 0 600.568 6.834 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225059509 571642972 /nfs/dbraw/zinc/64/29/72/571642972.db2.gz HHRZFDQNIFEMIH-MHZLTWQESA-N 0 0 554.474 6.143 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225082170 571645497 /nfs/dbraw/zinc/64/54/97/571645497.db2.gz YDXPBYCFAPUJBN-JSOSNVBQSA-N 0 0 590.665 5.975 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225089774 571646279 /nfs/dbraw/zinc/64/62/79/571646279.db2.gz BJCJMFOULZWJTH-AREMUKBSSA-N 0 0 574.530 6.300 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225099271 571647099 /nfs/dbraw/zinc/64/70/99/571647099.db2.gz ZATJPROLRMOGFS-XIFFEERXSA-N 0 0 727.667 6.579 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C ZINC000225116166 571648990 /nfs/dbraw/zinc/64/89/90/571648990.db2.gz QQBIQWIUZRASLU-IZLXSDGUSA-N 0 0 601.685 6.429 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225119079 571649271 /nfs/dbraw/zinc/64/92/71/571649271.db2.gz FMVQJAZDTUAZBP-AREMUKBSSA-N 0 0 645.178 5.403 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119602 571649336 /nfs/dbraw/zinc/64/93/36/571649336.db2.gz GVDOJIXOJLNVPX-KAYWLYCHSA-N 0 0 571.659 6.420 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119484 571649350 /nfs/dbraw/zinc/64/93/50/571649350.db2.gz GVDOJIXOJLNVPX-SVBPBHIXSA-N 0 0 571.659 6.420 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000225141546 571651407 /nfs/dbraw/zinc/65/14/07/571651407.db2.gz LEXFMVKBDIWLAC-CLJLJLNGSA-N 0 0 562.051 6.675 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)o1 ZINC000225144252 571651725 /nfs/dbraw/zinc/65/17/25/571651725.db2.gz MWZARBPZCNBAER-KAYWLYCHSA-N 0 0 592.077 6.683 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225149169 571652327 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CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225319349 571673326 /nfs/dbraw/zinc/67/33/26/571673326.db2.gz DSHJTEQJXBZVSR-VQTJNVASSA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O ZINC000225328841 571685505 /nfs/dbraw/zinc/68/55/05/571685505.db2.gz NMKMFGJSWYSRSM-UIOOFZCWSA-N 0 0 529.578 5.394 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O ZINC000225328917 571685673 /nfs/dbraw/zinc/68/56/73/571685673.db2.gz NMKMFGJSWYSRSM-IZZNHLLZSA-N 0 0 529.578 5.394 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260778809 571689572 /nfs/dbraw/zinc/68/95/72/571689572.db2.gz ITHJATLAWXYSTG-RUZDIDTESA-N 0 0 636.771 5.282 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260779741 571691036 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O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225351298 571711822 /nfs/dbraw/zinc/71/18/22/571711822.db2.gz YULZFMPOZGPWNN-LJAQVGFWSA-N 0 0 580.150 6.570 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260813677 571721929 /nfs/dbraw/zinc/72/19/29/571721929.db2.gz SWTWCOHRLLDVIA-HSZRJFAPSA-N 0 0 657.189 5.279 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225359921 571721928 /nfs/dbraw/zinc/72/19/28/571721928.db2.gz KVENPFKBKYEFDY-CLJLJLNGSA-N 0 0 500.580 6.214 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225366961 571730296 /nfs/dbraw/zinc/73/02/96/571730296.db2.gz RIOHBLGKKONFBL-MUUNZHRXSA-N 0 0 580.081 5.725 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225366934 571730490 /nfs/dbraw/zinc/73/04/90/571730490.db2.gz RIOHBLGKKONFBL-NDEPHWFRSA-N 0 0 580.081 5.725 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225371675 571736633 /nfs/dbraw/zinc/73/66/33/571736633.db2.gz PDNJXKSGCJVNSQ-LJAQVGFWSA-N 0 0 563.695 6.056 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225372157 571737488 /nfs/dbraw/zinc/73/74/88/571737488.db2.gz OMYTWIIWMRHBDT-NDEPHWFRSA-N 0 0 517.601 5.365 40 5 KKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 ZINC000225377786 571744733 /nfs/dbraw/zinc/74/47/33/571744733.db2.gz MHGIBAUNJPEGLU-NSOVKSMOSA-N 0 0 525.634 6.279 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225379357 571746674 /nfs/dbraw/zinc/74/66/74/571746674.db2.gz GDCGRAYAFBNROG-VSGBNLITSA-N 0 0 526.618 6.748 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 ZINC000225383995 571752450 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COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225402901 571772086 /nfs/dbraw/zinc/77/20/86/571772086.db2.gz MZPBYBVMHDVLAY-DHUJRADRSA-N 0 0 751.277 6.989 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225406119 571775027 /nfs/dbraw/zinc/77/50/27/571775027.db2.gz JPQUIAUHJSOZIG-YTTGMZPUSA-N 0 0 663.196 6.000 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260882457 571791731 /nfs/dbraw/zinc/79/17/31/571791731.db2.gz CWRYODMNGJVHOC-PGUFJCEWSA-N 0 0 751.277 6.989 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260884897 571795761 /nfs/dbraw/zinc/79/57/61/571795761.db2.gz JYXZDYYMTITHCH-HXUWFJFHSA-N 0 0 700.041 6.257 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260887751 571798904 /nfs/dbraw/zinc/79/89/04/571798904.db2.gz CPSDWGRWBRZYAM-PKTZIBPZSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225435393 571803002 /nfs/dbraw/zinc/80/30/02/571803002.db2.gz BEILPVSPVPYRKK-NDEPHWFRSA-N 0 0 624.532 5.834 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260894833 571812400 /nfs/dbraw/zinc/81/24/00/571812400.db2.gz SBHFPDJWYMANAM-MGBGTMOVSA-N 0 0 658.777 5.272 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260904248 571826948 /nfs/dbraw/zinc/82/69/48/571826948.db2.gz BDIPBEQXBOOJRL-HHHXNRCGSA-N 0 0 665.596 5.089 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000260904419 571827874 /nfs/dbraw/zinc/82/78/74/571827874.db2.gz BPFFGAHQQJQNPP-MGBGTMOVSA-N 0 0 642.778 5.511 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225469734 571840536 /nfs/dbraw/zinc/84/05/36/571840536.db2.gz BFNWKDTWQNYKFM-LOSJGSFVSA-N 0 0 549.634 5.107 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225470569 571841044 /nfs/dbraw/zinc/84/10/44/571841044.db2.gz GAYQPYIXSOYUCC-DHUJRADRSA-N 0 0 802.177 8.156 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225482581 571853618 /nfs/dbraw/zinc/85/36/18/571853618.db2.gz AZRNCPFXVBGZPO-MUUNZHRXSA-N 0 0 568.501 6.533 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260919560 571853637 /nfs/dbraw/zinc/85/36/37/571853637.db2.gz MBVAOJVAQYGGKE-UUWRZZSWSA-N 0 0 733.685 6.642 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225489654 571859938 /nfs/dbraw/zinc/85/99/38/571859938.db2.gz IHKVBBFQJVTRQW-LJAQVGFWSA-N 0 0 661.608 5.757 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260923473 571860189 /nfs/dbraw/zinc/86/01/89/571860189.db2.gz IEBOGTFENYZPFI-MUUNZHRXSA-N 0 0 649.597 5.388 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260925808 571865726 /nfs/dbraw/zinc/86/57/26/571865726.db2.gz HAYCOBNIPUUPDE-SFTDATJTSA-N 0 0 665.596 5.746 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260927741 571869741 /nfs/dbraw/zinc/86/97/41/571869741.db2.gz AREBFAFKGCZMLO-MGBGTMOVSA-N 0 0 741.694 6.969 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225505805 571875916 /nfs/dbraw/zinc/87/59/16/571875916.db2.gz BQJSGHKSGLHWTG-QFIPXVFZSA-N 0 0 631.151 5.011 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225508351 571879561 /nfs/dbraw/zinc/87/95/61/571879561.db2.gz RFZYFKBCOREDGD-BHVANESWSA-N 0 0 767.732 7.503 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225526034 571892749 /nfs/dbraw/zinc/89/27/49/571892749.db2.gz CFBBPZJRPZJIOI-QFIPXVFZSA-N 0 0 631.151 5.011 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260939027 571892849 /nfs/dbraw/zinc/89/28/49/571892849.db2.gz RLHMZMQDOVMYPB-PSXMRANNSA-N 0 0 763.313 6.858 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225536785 571902147 /nfs/dbraw/zinc/90/21/47/571902147.db2.gz RCJOEHYVQVLTEY-WJOKGBTCSA-N 0 0 679.195 5.455 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260945838 571904600 /nfs/dbraw/zinc/90/46/00/571904600.db2.gz SZXDEHSULCWFJO-PSXMRANNSA-N 0 0 698.842 6.196 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260945809 571904635 /nfs/dbraw/zinc/90/46/35/571904635.db2.gz SXOSVCMRRUTNPU-WJOKGBTCSA-N 0 0 620.772 5.067 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225540602 571905705 /nfs/dbraw/zinc/90/57/05/571905705.db2.gz XVTGHSUNVPZLOJ-CLJLJLNGSA-N 0 0 513.579 5.251 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260948360 571909342 /nfs/dbraw/zinc/90/93/42/571909342.db2.gz RRWWFJPTFDBNMY-UUWRZZSWSA-N 0 0 751.700 6.282 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260950309 571912757 /nfs/dbraw/zinc/91/27/57/571912757.db2.gz VBFWVLXWIUGEEK-GDLZYMKVSA-N 0 0 627.163 5.103 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260950373 571912924 /nfs/dbraw/zinc/91/29/24/571912924.db2.gz VFIXSZUHWJNDAB-PGUFJCEWSA-N 0 0 684.815 5.888 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260952268 571916427 /nfs/dbraw/zinc/91/64/27/571916427.db2.gz VPOXBBWPVZVCRX-SSEXGKCCSA-N 0 0 641.190 5.412 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225557971 571920279 /nfs/dbraw/zinc/92/02/79/571920279.db2.gz AJDVFJUHNSVZRV-NSOVKSMOSA-N 0 0 541.633 5.814 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260958623 571927276 /nfs/dbraw/zinc/92/72/76/571927276.db2.gz WUNZRCUTRPRJNJ-OAQYLSRUSA-N 0 0 649.141 5.089 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225568592 571930181 /nfs/dbraw/zinc/93/01/81/571930181.db2.gz VZROMDPXRREHRA-PWUYWRBVSA-N 0 0 624.760 5.138 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225577771 571937614 /nfs/dbraw/zinc/93/76/14/571937614.db2.gz FJIYURNMKQFHFN-RRPNLBNLSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225577703 571937636 /nfs/dbraw/zinc/93/76/36/571937636.db2.gz FJIYURNMKQFHFN-SVBPBHIXSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225583094 571942038 /nfs/dbraw/zinc/94/20/38/571942038.db2.gz NTYKSRJVWGXQLG-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225583121 571942046 /nfs/dbraw/zinc/94/20/46/571942046.db2.gz CMBWYFNWTGWVEU-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225590209 571946581 /nfs/dbraw/zinc/94/65/81/571946581.db2.gz RUOJDCRBSDVKCT-SANMLTNESA-N 0 0 542.463 6.001 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260976465 571949592 /nfs/dbraw/zinc/94/95/92/571949592.db2.gz APXMWRPEKZANLC-CVYDZTKKSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225597845 571952324 /nfs/dbraw/zinc/95/23/24/571952324.db2.gz OEEUYQQVQYPSSR-RBISFHTESA-N 0 0 645.178 5.483 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225599205 571953141 /nfs/dbraw/zinc/95/31/41/571953141.db2.gz HNSCJXSXRUMHDZ-UMSFTDKQSA-N 0 0 741.694 6.970 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 ZINC000225599789 571954126 /nfs/dbraw/zinc/95/41/26/571954126.db2.gz UUMGHFYBYAZZOL-FTJBHMTQSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 ZINC000225599843 571954221 /nfs/dbraw/zinc/95/42/21/571954221.db2.gz UUMGHFYBYAZZOL-CLJLJLNGSA-N 0 0 531.569 5.390 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260981946 571956253 /nfs/dbraw/zinc/95/62/53/571956253.db2.gz OEEUYQQVQYPSSR-DFHRPNOPSA-N 0 0 645.178 5.483 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260986127 571962084 /nfs/dbraw/zinc/96/20/84/571962084.db2.gz BUPPOYLVNTVFDW-UKJJDJLKSA-N 0 0 646.741 5.484 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260987264 571963345 /nfs/dbraw/zinc/96/33/45/571963345.db2.gz PGUGUYQSOZUICN-PKTZIBPZSA-N 0 0 645.178 5.401 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225619826 571970200 /nfs/dbraw/zinc/97/02/00/571970200.db2.gz IRCHCNISCOXUMY-KDYSTLNUSA-N 0 0 601.125 5.166 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225619754 571970209 /nfs/dbraw/zinc/97/02/09/571970209.db2.gz HJXCHVDWVUFGCS-KDYSTLNUSA-N 0 0 601.125 5.166 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225629123 571980958 /nfs/dbraw/zinc/98/09/58/571980958.db2.gz QJBCMZADRQROAJ-HKBQPEDESA-N 0 0 665.168 5.147 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000225635710 571987423 /nfs/dbraw/zinc/98/74/23/571987423.db2.gz PISARYVYZUXWTO-VSGBNLITSA-N 0 0 540.649 5.399 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000261001820 571988993 /nfs/dbraw/zinc/98/89/93/571988993.db2.gz PYNYDSVEJSSYNF-MGBGTMOVSA-N 0 0 675.207 6.142 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 ZINC000225638282 571989801 /nfs/dbraw/zinc/98/98/01/571989801.db2.gz GVCDZKWCEHVJJJ-URLMMPGGSA-N 0 0 571.659 5.877 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261003632 571991904 /nfs/dbraw/zinc/99/19/04/571991904.db2.gz QIBFBXUGJXSYNB-PGUFJCEWSA-N 0 0 702.805 5.945 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 ZINC000225656572 572003583 /nfs/dbraw/zinc/00/35/83/572003583.db2.gz FWWGZTHMXXIBGV-WUFINQPMSA-N 0 0 557.632 5.568 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000225658545 572004844 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COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000225714435 572043349 /nfs/dbraw/zinc/04/33/49/572043349.db2.gz BKMAYNHSYQOSME-JSOSNVBQSA-N 0 0 593.665 6.413 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261040989 572044280 /nfs/dbraw/zinc/04/42/80/572044280.db2.gz YYAZJMHXJLIXQF-UUWRZZSWSA-N 0 0 753.705 7.113 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc21 ZINC000225716353 572044487 /nfs/dbraw/zinc/04/44/87/572044487.db2.gz VPKSAFPUYOCUMR-IHLOFXLRSA-N 0 0 563.639 6.404 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225718713 572046154 /nfs/dbraw/zinc/04/61/54/572046154.db2.gz FMBLNLQSFHXCNH-FOIQADDNSA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261045648 572050855 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261068332 572068355 /nfs/dbraw/zinc/06/83/55/572068355.db2.gz PFSULFHBPZAHND-XDCSYDRFSA-N 0 0 741.694 6.969 40 5 KKBBRN O=c1sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccccc1Cl ZINC000225804592 572072021 /nfs/dbraw/zinc/07/20/21/572072021.db2.gz KNOLFCZHKWOMMS-UHFFFAOYSA-N 0 0 510.380 5.127 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261074377 572072079 /nfs/dbraw/zinc/07/20/79/572072079.db2.gz QDPXPPOYZRQAAU-QNLPTKCRSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261092385 572082470 /nfs/dbraw/zinc/08/24/70/572082470.db2.gz UHLNJSGNBCWVKB-CMVGPNDKSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261093500 572083175 /nfs/dbraw/zinc/08/31/75/572083175.db2.gz UPLWZZVITXUMJT-GOXGLGGOSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261097151 572085424 /nfs/dbraw/zinc/08/54/24/572085424.db2.gz VIQFTCXJQLNCQQ-RTWAWAEBSA-N 0 0 710.047 5.855 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261098152 572085729 /nfs/dbraw/zinc/08/57/29/572085729.db2.gz VKPHAQOMNVUKDL-BNHRFMORSA-N 0 0 697.641 6.652 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261104358 572091109 /nfs/dbraw/zinc/09/11/09/572091109.db2.gz WTEBVZRPDAQPBX-UKJJDJLKSA-N 0 0 646.741 5.484 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261104399 572091121 /nfs/dbraw/zinc/09/11/21/572091121.db2.gz WUUATCTZMJDCCG-BNHRFMORSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000261362799 572104825 /nfs/dbraw/zinc/10/48/25/572104825.db2.gz FEEYSKGQYQFEKU-VWLOTQADSA-O 0 0 553.020 5.764 40 5 KKBBRN COc1cc2ccc3c(CCN(C)C(=O)/C=C/c4ccc5c(c4)OCO5)cc(OC)c(OC)c3c2cc1OC ZINC000263586431 572123194 /nfs/dbraw/zinc/12/31/94/572123194.db2.gz UKWHTJDDNGYMQE-YRNVUSSQSA-N 0 0 529.589 5.470 40 5 KKBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000263616287 572130845 /nfs/dbraw/zinc/13/08/45/572130845.db2.gz HWYJEBSPZZWBMD-YBKJXAOZSA-O 0 0 583.900 5.283 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299888557 572141739 /nfs/dbraw/zinc/14/17/39/572141739.db2.gz OFNSUWBAQRCHAV-UCYVLPQRSA-N 0 0 584.885 9.759 40 5 KKBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041379 572150266 /nfs/dbraw/zinc/15/02/66/572150266.db2.gz SJDMNDIIGGPRLX-SFHVURJKSA-N 0 0 511.888 5.776 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4cc5c(cc4n3c2=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n5Cc2ccc(Cl)cc2Cl)o1 ZINC000227149481 572151116 /nfs/dbraw/zinc/15/11/16/572151116.db2.gz INPIGYPXODMHMY-WWXMDWTASA-N 0 0 793.472 8.460 40 5 KKBBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 ZINC000408526792 572158162 /nfs/dbraw/zinc/15/81/62/572158162.db2.gz BFSAVVLMATUQPZ-UUWRZZSWSA-N 0 0 634.714 7.078 40 5 KKBBRN CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000408527741 572161357 /nfs/dbraw/zinc/16/13/57/572161357.db2.gz HHGBRMQROXYVJS-PGUFJCEWSA-N 0 0 648.741 7.469 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408542168 572210104 /nfs/dbraw/zinc/21/01/04/572210104.db2.gz HSDXVVYXVGLUMO-DAXSKMNVSA-N 0 0 575.186 6.951 40 5 KKBBRN Cc1noc(/C=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1[N+](=O)[O-] ZINC000408545390 572218527 /nfs/dbraw/zinc/21/85/27/572218527.db2.gz YLGRQXJIQQQJOD-FPLPWBNLSA-N 0 0 588.139 5.850 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCC1 ZINC000408551946 572237206 /nfs/dbraw/zinc/23/72/06/572237206.db2.gz PJJFPMZNJJXFOQ-YBFXNURJSA-N 0 0 719.295 5.042 40 5 KKBBRN O=C1CS[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408554182 572241796 /nfs/dbraw/zinc/24/17/96/572241796.db2.gz CECNUVKTZLWYGZ-JOCHJYFZSA-N 0 0 519.804 6.368 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F ZINC000408554452 572241884 /nfs/dbraw/zinc/24/18/84/572241884.db2.gz CUBIYTBYOIDCMK-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408554767 572242093 /nfs/dbraw/zinc/24/20/93/572242093.db2.gz DFNMPMPHLSXDSC-UHFFFAOYSA-N 0 0 581.794 5.799 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408555041 572242530 /nfs/dbraw/zinc/24/25/30/572242530.db2.gz FNRKKWATNBJPNC-UHFFFAOYSA-N 0 0 504.370 6.238 40 5 KKBBRN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408555140 572242585 /nfs/dbraw/zinc/24/25/85/572242585.db2.gz VUTRJCMYKLWLNU-UHFFFAOYSA-N 0 0 528.355 5.683 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1 ZINC000408555641 572243107 /nfs/dbraw/zinc/24/31/07/572243107.db2.gz GRRFKJWLNPQCOU-UHFFFAOYSA-N 0 0 508.287 5.538 40 5 KKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)c1 ZINC000408555675 572243273 /nfs/dbraw/zinc/24/32/73/572243273.db2.gz HDGIWPASDNCBNU-UHFFFAOYSA-N 0 0 542.227 7.464 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408556070 572243536 /nfs/dbraw/zinc/24/35/36/572243536.db2.gz HLUSNWYRXVFROA-UHFFFAOYSA-N 0 0 522.739 6.722 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408556600 572244012 /nfs/dbraw/zinc/24/40/12/572244012.db2.gz KSGZVUCWPJRDOU-XMMPIXPASA-N 0 0 610.857 6.609 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556778 572244305 /nfs/dbraw/zinc/24/43/05/572244305.db2.gz KKQIULNDVWKRLA-UHFFFAOYSA-N 0 0 531.712 7.443 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557001 572244421 /nfs/dbraw/zinc/24/44/21/572244421.db2.gz MLBAOBGHKSECHV-HSZRJFAPSA-N 0 0 505.379 6.268 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408559554 572247018 /nfs/dbraw/zinc/24/70/18/572247018.db2.gz VZAUSDDWPRDVSL-UHFFFAOYSA-N 0 0 545.739 7.833 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408559997 572247170 /nfs/dbraw/zinc/24/71/70/572247170.db2.gz XOTRAPJDLVHRFG-UHFFFAOYSA-N 0 0 595.821 6.190 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000408560243 572247265 /nfs/dbraw/zinc/24/72/65/572247265.db2.gz XYHPTHLUPBFBLV-UHFFFAOYSA-N 0 0 547.349 5.146 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563378 572249241 /nfs/dbraw/zinc/24/92/41/572249241.db2.gz AHHGCINZZXOTEL-SIJZCSJPSA-N 0 0 578.463 5.400 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408563762 572249510 /nfs/dbraw/zinc/24/95/10/572249510.db2.gz XCKLUSMPGDGDND-LNVKXUELSA-N 0 0 519.377 5.509 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563842 572249758 /nfs/dbraw/zinc/24/97/58/572249758.db2.gz BDEIMUKMDCZMHZ-TUPPOGIXSA-N 0 0 568.855 5.736 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564026 572250084 /nfs/dbraw/zinc/25/00/84/572250084.db2.gz CBHVFFWHQSHPTG-QLZDYINWSA-N 0 0 523.589 5.339 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564020 572250162 /nfs/dbraw/zinc/25/01/62/572250162.db2.gz CBHVFFWHQSHPTG-LHJUMPSXSA-N 0 0 523.589 5.339 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564676 572250644 /nfs/dbraw/zinc/25/06/44/572250644.db2.gz DNYQAEBHAAGYHV-CNBSGPCYSA-N 0 0 528.392 5.103 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564674 572250695 /nfs/dbraw/zinc/25/06/95/572250695.db2.gz DNYQAEBHAAGYHV-BQVXCWBNSA-N 0 0 528.392 5.103 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408564774 572251066 /nfs/dbraw/zinc/25/10/66/572251066.db2.gz ABYRYRXUWABGSW-XMMPIXPASA-N 0 0 555.454 6.036 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564917 572251219 /nfs/dbraw/zinc/25/12/19/572251219.db2.gz GLAVBDWTEHOVSO-HGMMTPDKSA-N 0 0 516.356 5.233 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408564894 572251292 /nfs/dbraw/zinc/25/12/92/572251292.db2.gz AROVBBVAZRYRAO-RUZDIDTESA-N 0 0 617.497 6.574 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408564871 572251312 /nfs/dbraw/zinc/25/13/12/572251312.db2.gz APIOMJHGHUNYMD-XMMPIXPASA-N 0 0 672.816 8.386 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000408564965 572251466 /nfs/dbraw/zinc/25/14/66/572251466.db2.gz AUPYDTVEMUGWTD-HSZRJFAPSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408565118 572251732 /nfs/dbraw/zinc/25/17/32/572251732.db2.gz BFMNSMKAYZEWOQ-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(C)cc1 ZINC000408565247 572252017 /nfs/dbraw/zinc/25/20/17/572252017.db2.gz BLGRHTAYMXJMQU-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408565262 572252023 /nfs/dbraw/zinc/25/20/23/572252023.db2.gz BLSJUQVIVKMWFA-XMMPIXPASA-N 0 0 577.465 7.109 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408565216 572252145 /nfs/dbraw/zinc/25/21/45/572252145.db2.gz BHWWYNLSFNUZOQ-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565341 572252409 /nfs/dbraw/zinc/25/24/09/572252409.db2.gz BTADWTYYZAFWMK-DEOSSOPVSA-N 0 0 621.916 7.219 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565295 572252459 /nfs/dbraw/zinc/25/24/59/572252459.db2.gz BPYSBDIICKJOTH-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565329 572252489 /nfs/dbraw/zinc/25/24/89/572252489.db2.gz JXAPSVIIHRHSQO-RVBRUHEGSA-N 0 0 558.432 5.703 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565308 572252508 /nfs/dbraw/zinc/25/25/08/572252508.db2.gz BQMLICDWAVZVAO-QHCPKHFHSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408565478 572252638 /nfs/dbraw/zinc/25/26/38/572252638.db2.gz CAHIPJIRQNGBEI-HHHXNRCGSA-N 0 0 597.535 7.043 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565508 572252735 /nfs/dbraw/zinc/25/27/35/572252735.db2.gz LAHAGXJDTNRDCM-UUNMANHLSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408565542 572252738 /nfs/dbraw/zinc/25/27/38/572252738.db2.gz CGJVDMTVQIKNGY-DEOSSOPVSA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408565494 572252838 /nfs/dbraw/zinc/25/28/38/572252838.db2.gz CBNHPJFRTGTEIF-XMMPIXPASA-N 0 0 563.894 7.533 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565502 572252842 /nfs/dbraw/zinc/25/28/42/572252842.db2.gz LAHAGXJDTNRDCM-CWWSAELMSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000408565630 572252955 /nfs/dbraw/zinc/25/29/55/572252955.db2.gz COZASGBWKJTCAQ-VWLOTQADSA-N 0 0 506.584 5.282 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565660 572252960 /nfs/dbraw/zinc/25/29/60/572252960.db2.gz CRHJXRLLRJETSC-VWLOTQADSA-N 0 0 571.472 6.783 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565708 572253018 /nfs/dbraw/zinc/25/30/18/572253018.db2.gz LTIXNVKCZXXZOM-XABOBXATSA-N 0 0 582.426 5.230 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565704 572253035 /nfs/dbraw/zinc/25/30/35/572253035.db2.gz CVVBUTLBVGZJFP-QHCPKHFHSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1F ZINC000408565679 572253036 /nfs/dbraw/zinc/25/30/36/572253036.db2.gz CTEJICHTMJKRQY-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408565699 572253056 /nfs/dbraw/zinc/25/30/56/572253056.db2.gz CVACGRQRZFHXGX-DEOSSOPVSA-N 0 0 589.899 6.689 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408565886 572253153 /nfs/dbraw/zinc/25/31/53/572253153.db2.gz DCRJGOUHTSOPRN-RUZDIDTESA-N 0 0 559.475 6.889 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408565909 572253171 /nfs/dbraw/zinc/25/31/71/572253171.db2.gz DETIPRVFFJHPNM-AREMUKBSSA-N 0 0 504.612 5.972 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408565887 572253179 /nfs/dbraw/zinc/25/31/79/572253179.db2.gz DCRJGOUHTSOPRN-VWLOTQADSA-N 0 0 559.475 6.889 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408566025 572253338 /nfs/dbraw/zinc/25/33/38/572253338.db2.gz DOWSUFUJMZATAX-XMMPIXPASA-N 0 0 559.019 6.075 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408565995 572253342 /nfs/dbraw/zinc/25/33/42/572253342.db2.gz DMHXONGNNQORRP-HSZRJFAPSA-N 0 0 628.763 7.988 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566207 572253409 /nfs/dbraw/zinc/25/34/09/572253409.db2.gz FBRFCXMMVCRUDQ-RUZDIDTESA-N 0 0 557.047 6.764 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 ZINC000408566314 572253654 /nfs/dbraw/zinc/25/36/54/572253654.db2.gz FHHZKXMKCNRELC-SANMLTNESA-N 0 0 504.612 5.890 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408566606 572253850 /nfs/dbraw/zinc/25/38/50/572253850.db2.gz FSIYXJVWJJXDJJ-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408566621 572253888 /nfs/dbraw/zinc/25/38/88/572253888.db2.gz FTWBBFAWQJQBRG-MHZLTWQESA-N 0 0 593.478 7.320 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408566619 572253917 /nfs/dbraw/zinc/25/39/17/572253917.db2.gz FTWBBFAWQJQBRG-HHHXNRCGSA-N 0 0 593.478 7.320 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408566802 572254075 /nfs/dbraw/zinc/25/40/75/572254075.db2.gz OTSAWQZRBMEOAX-LADVCJOISA-N 0 0 542.394 5.766 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408567085 572254155 /nfs/dbraw/zinc/25/41/55/572254155.db2.gz GIYPZQNOUJQGGL-JOCHJYFZSA-N 0 0 567.857 7.364 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408567166 572254177 /nfs/dbraw/zinc/25/41/77/572254177.db2.gz GQHZWQRKGFUPAG-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408567175 572254185 /nfs/dbraw/zinc/25/41/85/572254185.db2.gz GQWPYXJTCFKPHB-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567084 572254197 /nfs/dbraw/zinc/25/41/97/572254197.db2.gz GITJYLZDQJIJPK-XMMPIXPASA-N 0 0 656.361 7.872 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccccc1 ZINC000408567189 572254299 /nfs/dbraw/zinc/25/42/99/572254299.db2.gz GRISOGWJKSNEFM-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408567179 572254366 /nfs/dbraw/zinc/25/43/66/572254366.db2.gz GRAJHUGMDVQIAT-XMMPIXPASA-N 0 0 569.481 6.344 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408567724 572254392 /nfs/dbraw/zinc/25/43/92/572254392.db2.gz HGHLZPMTTTUHLP-DEOSSOPVSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567719 572254426 /nfs/dbraw/zinc/25/44/26/572254426.db2.gz QZFQBPAENLKNNS-YDOVEJIGSA-N 0 0 542.419 5.493 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408567711 572254451 /nfs/dbraw/zinc/25/44/51/572254451.db2.gz HEVSIUYQBMRMPN-DEOSSOPVSA-N 0 0 619.925 6.698 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC ZINC000408567676 572254466 /nfs/dbraw/zinc/25/44/66/572254466.db2.gz HCMNNVBOPRQEGO-IBGZPJMESA-N 0 0 507.410 5.082 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408568062 572254520 /nfs/dbraw/zinc/25/45/20/572254520.db2.gz HLXNSAPCBPJQKU-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408567822 572254508 /nfs/dbraw/zinc/25/45/08/572254508.db2.gz RNTMZVKLRXEXAA-KLPDMWAPSA-N 0 0 596.453 5.620 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567809 572254569 /nfs/dbraw/zinc/25/45/69/572254569.db2.gz RJQDBXVIJFBWEO-SGNYCRIWSA-N 0 0 558.432 5.703 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000408568114 572254657 /nfs/dbraw/zinc/25/46/57/572254657.db2.gz HSBIHINUIIZSIZ-MHZLTWQESA-N 0 0 534.638 6.062 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408568590 572255006 /nfs/dbraw/zinc/25/50/06/572255006.db2.gz IBGDFCIQIKDTIF-AREMUKBSSA-N 0 0 538.601 5.811 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@H]3C([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568399 572255038 /nfs/dbraw/zinc/25/50/38/572255038.db2.gz UHEFEKKQDLUNOE-CBZDIVBHSA-N 0 0 538.431 5.935 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408568680 572255173 /nfs/dbraw/zinc/25/51/73/572255173.db2.gz IGTGGGIJJHRZOZ-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000408568670 572255214 /nfs/dbraw/zinc/25/52/14/572255214.db2.gz IFOHHJVSBSNDAV-RUZDIDTESA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569174 572255439 /nfs/dbraw/zinc/25/54/39/572255439.db2.gz JAUSVSFMADEGCW-XMMPIXPASA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408569486 572255733 /nfs/dbraw/zinc/25/57/33/572255733.db2.gz JEKAXHZNVXSRTD-XMMPIXPASA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408569487 572255735 /nfs/dbraw/zinc/25/57/35/572255735.db2.gz JESPTUZJZUUEJZ-RUZDIDTESA-N 0 0 599.507 6.435 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569662 572255811 /nfs/dbraw/zinc/25/58/11/572255811.db2.gz WVKBYHNPKMGJDP-OYMMJLNRSA-N 0 0 532.811 5.748 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569653 572255856 /nfs/dbraw/zinc/25/58/56/572255856.db2.gz WVAUIZVNECPLKQ-TUPPOGIXSA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408569594 572255890 /nfs/dbraw/zinc/25/58/90/572255890.db2.gz JTROUQZWFNGDIJ-RUZDIDTESA-N 0 0 583.508 6.734 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408569595 572255865 /nfs/dbraw/zinc/25/58/65/572255865.db2.gz JTROUQZWFNGDIJ-VWLOTQADSA-N 0 0 583.508 6.734 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000408569901 572256055 /nfs/dbraw/zinc/25/60/55/572256055.db2.gz KFGCOGSPBXERHY-HSZRJFAPSA-N 0 0 555.454 6.036 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000408569898 572256091 /nfs/dbraw/zinc/25/60/91/572256091.db2.gz KFBJXYCZXZPGQF-HSZRJFAPSA-N 0 0 559.873 6.681 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000408570278 572256288 /nfs/dbraw/zinc/25/62/88/572256288.db2.gz KRMGYBMRZNWAEP-DEOSSOPVSA-N 0 0 600.451 5.944 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408570260 572256342 /nfs/dbraw/zinc/25/63/42/572256342.db2.gz KPHBGQAEIVQKHU-QHCPKHFHSA-N 0 0 658.789 7.996 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408570402 572256383 /nfs/dbraw/zinc/25/63/83/572256383.db2.gz LJDLJEGMFMAUCK-VWLOTQADSA-N 0 0 601.498 6.874 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000408570279 572256452 /nfs/dbraw/zinc/25/64/52/572256452.db2.gz KRMGYBMRZNWAEP-XMMPIXPASA-N 0 0 600.451 5.944 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408570610 572256472 /nfs/dbraw/zinc/25/64/72/572256472.db2.gz LNYKSOWMYWPROJ-RUZDIDTESA-N 0 0 541.029 5.935 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408570653 572256544 /nfs/dbraw/zinc/25/65/44/572256544.db2.gz LSUAWNKWPKGBSY-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408570918 572256614 /nfs/dbraw/zinc/25/66/14/572256614.db2.gz MIBVMYUGSGMCET-RUZDIDTESA-N 0 0 614.478 6.334 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 ZINC000408570909 572256635 /nfs/dbraw/zinc/25/66/35/572256635.db2.gz MHPOMAZCZDYYTK-HHHXNRCGSA-N 0 0 534.638 5.981 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000408570737 572256643 /nfs/dbraw/zinc/25/66/43/572256643.db2.gz LZNBZWBTLLDAFM-RUZDIDTESA-N 0 0 593.920 7.624 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408570889 572256649 /nfs/dbraw/zinc/25/66/49/572256649.db2.gz MEPMLQOHQKNNCM-RUZDIDTESA-N 0 0 525.030 6.235 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408570869 572256655 /nfs/dbraw/zinc/25/66/55/572256655.db2.gz MCRUSPXMDNRXJJ-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408571121 572256813 /nfs/dbraw/zinc/25/68/13/572256813.db2.gz NRSGAMUBLPQNPL-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 ZINC000408571102 572256832 /nfs/dbraw/zinc/25/68/32/572256832.db2.gz NNDTXLWDSYBYHF-GDLZYMKVSA-N 0 0 619.541 7.579 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408571107 572256857 /nfs/dbraw/zinc/25/68/57/572256857.db2.gz NPHDESVWJGCTNG-HSZRJFAPSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408571304 572256931 /nfs/dbraw/zinc/25/69/31/572256931.db2.gz OHRHREQIVVQEAN-VWLOTQADSA-N 0 0 668.397 7.741 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408571286 572256948 /nfs/dbraw/zinc/25/69/48/572256948.db2.gz OGLRXIUVTXCVON-XMMPIXPASA-N 0 0 593.920 7.624 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571172 572256963 /nfs/dbraw/zinc/25/69/63/572256963.db2.gz NZAPAJRKIBYGHB-QFIPXVFZSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408571194 572256966 /nfs/dbraw/zinc/25/69/66/572256966.db2.gz OCLFMTWIBJRJBR-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408571407 572257045 /nfs/dbraw/zinc/25/70/45/572257045.db2.gz OQGVPJJTGABQSB-XMMPIXPASA-N 0 0 682.822 7.842 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408571347 572257055 /nfs/dbraw/zinc/25/70/55/572257055.db2.gz OLAZYFWSDYIJQF-VWLOTQADSA-N 0 0 557.047 6.764 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571572 572257130 /nfs/dbraw/zinc/25/71/30/572257130.db2.gz PBQVKOILCKTRAA-RUZDIDTESA-N 0 0 543.476 7.188 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408571558 572257183 /nfs/dbraw/zinc/25/71/83/572257183.db2.gz OZQFBURGAXLNCL-VWLOTQADSA-N 0 0 557.047 6.683 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408571508 572257190 /nfs/dbraw/zinc/25/71/90/572257190.db2.gz OTASJTAHNAXVAV-VWLOTQADSA-N 0 0 617.497 6.574 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC ZINC000408571521 572257199 /nfs/dbraw/zinc/25/71/99/572257199.db2.gz OUMBYJURPBWSEY-OAQYLSRUSA-N 0 0 521.437 5.554 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571830 572257383 /nfs/dbraw/zinc/25/73/83/572257383.db2.gz PQLZZXNKARSDGY-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 ZINC000408571893 572257423 /nfs/dbraw/zinc/25/74/23/572257423.db2.gz PUOGEXIZEKOKCP-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571929 572257472 /nfs/dbraw/zinc/25/74/72/572257472.db2.gz PYRUCCSDSLUHKN-QHCPKHFHSA-N 0 0 543.964 5.966 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408572035 572257562 /nfs/dbraw/zinc/25/75/62/572257562.db2.gz QLGLNLVQKBWXQH-HSZRJFAPSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408572320 572257658 /nfs/dbraw/zinc/25/76/58/572257658.db2.gz QWPUCRNEJUNIAC-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000408572241 572257689 /nfs/dbraw/zinc/25/76/89/572257689.db2.gz HNUXPYXPZXJPMM-SDNWHVSQSA-N 0 0 545.665 5.082 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572421 572257807 /nfs/dbraw/zinc/25/78/07/572257807.db2.gz RDJOIYBLRHRQGH-DEOSSOPVSA-N 0 0 577.921 7.842 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 ZINC000408572621 572257970 /nfs/dbraw/zinc/25/79/70/572257970.db2.gz RNBGFNVUXMXLHQ-QFIPXVFZSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1cccc(C)c1 ZINC000408572679 572257990 /nfs/dbraw/zinc/25/79/90/572257990.db2.gz RSYYWRTWJGXNBV-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408572671 572257994 /nfs/dbraw/zinc/25/79/94/572257994.db2.gz RSJIINQCMNYEMH-HSZRJFAPSA-N 0 0 634.896 6.598 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408573028 572258480 /nfs/dbraw/zinc/25/84/80/572258480.db2.gz SFLHCIKXMBYHLJ-RUZDIDTESA-N 0 0 509.031 6.535 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408573087 572258614 /nfs/dbraw/zinc/25/86/14/572258614.db2.gz SLJWFCWIWWIRJB-VWLOTQADSA-N 0 0 577.921 7.842 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408573086 572258616 /nfs/dbraw/zinc/25/86/16/572258616.db2.gz SLJWFCWIWWIRJB-RUZDIDTESA-N 0 0 577.921 7.842 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408573427 572258789 /nfs/dbraw/zinc/25/87/89/572258789.db2.gz STZQYWARKWVJPL-RUZDIDTESA-N 0 0 585.480 6.045 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 ZINC000408573624 572259037 /nfs/dbraw/zinc/25/90/37/572259037.db2.gz TYURWUGQACXBRV-DEOSSOPVSA-N 0 0 600.451 5.944 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408573966 572259154 /nfs/dbraw/zinc/25/91/54/572259154.db2.gz UHNYPIGTDVJERM-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000408573953 572259181 /nfs/dbraw/zinc/25/91/81/572259181.db2.gz UGAQWIXKQSWKEV-XMMPIXPASA-N 0 0 556.000 5.835 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573736 572259176 /nfs/dbraw/zinc/25/91/76/572259176.db2.gz NVNJURBSMXFVGW-UHFFFAOYSA-N 0 0 518.353 5.301 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408574041 572259281 /nfs/dbraw/zinc/25/92/81/572259281.db2.gz ULTGNGULWSBABD-HHHXNRCGSA-N 0 0 553.084 6.934 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408574437 572259617 /nfs/dbraw/zinc/25/96/17/572259617.db2.gz UVGDSTVZMNBOPH-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408574529 572259691 /nfs/dbraw/zinc/25/96/91/572259691.db2.gz RRQVXCMLGGICQU-DHZHZOJOSA-N 0 0 523.973 5.355 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408574552 572259701 /nfs/dbraw/zinc/25/97/01/572259701.db2.gz VELJTECDXCCEFQ-AREMUKBSSA-N 0 0 587.529 7.587 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408575021 572260121 /nfs/dbraw/zinc/26/01/21/572260121.db2.gz VNENSVOGHPGIHH-RUZDIDTESA-N 0 0 577.921 7.842 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408575022 572260125 /nfs/dbraw/zinc/26/01/25/572260125.db2.gz VNENSVOGHPGIHH-VWLOTQADSA-N 0 0 577.921 7.842 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000408575067 572260169 /nfs/dbraw/zinc/26/01/69/572260169.db2.gz VXHKNRBTONBENL-VWLOTQADSA-N 0 0 614.478 6.334 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408575072 572260174 /nfs/dbraw/zinc/26/01/74/572260174.db2.gz VYBAJPGXDDOLQU-AREMUKBSSA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000408575090 572260189 /nfs/dbraw/zinc/26/01/89/572260189.db2.gz VZUSMOQVDZBSNC-SANMLTNESA-N 0 0 682.424 8.132 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 ZINC000408575386 572260467 /nfs/dbraw/zinc/26/04/67/572260467.db2.gz WBXLXCTYXLMHGA-RUZDIDTESA-N 0 0 599.507 6.435 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000408575393 572260482 /nfs/dbraw/zinc/26/04/82/572260482.db2.gz WCZTVSMLFIJAGO-RUZDIDTESA-N 0 0 601.498 6.874 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408575522 572260501 /nfs/dbraw/zinc/26/05/01/572260501.db2.gz DWXHNVDMLLZZNQ-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408575661 572260690 /nfs/dbraw/zinc/26/06/90/572260690.db2.gz WSZLGDIBEGNASM-QHCPKHFHSA-N 0 0 612.308 7.473 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408576000 572260970 /nfs/dbraw/zinc/26/09/70/572260970.db2.gz XDTWMKSMXNHCLO-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408576158 572261079 /nfs/dbraw/zinc/26/10/79/572261079.db2.gz XLRKABLHBCROFZ-NRFANRHFSA-N 0 0 521.437 5.472 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408576582 572261297 /nfs/dbraw/zinc/26/12/97/572261297.db2.gz XTDULDFCOGMCKC-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 ZINC000408576651 572261424 /nfs/dbraw/zinc/26/14/24/572261424.db2.gz XZTOAPYOKKWDCX-HHHXNRCGSA-N 0 0 603.528 7.369 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408577009 572261686 /nfs/dbraw/zinc/26/16/86/572261686.db2.gz YIWWQGUQKQPMKL-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408577166 572261753 /nfs/dbraw/zinc/26/17/53/572261753.db2.gz YQEULBMDVXBRQD-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577160 572261763 /nfs/dbraw/zinc/26/17/63/572261763.db2.gz YPZMGOCDYPWVBM-DEOSSOPVSA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408577413 572261993 /nfs/dbraw/zinc/26/19/93/572261993.db2.gz ZJHBRBHRTXMZNR-DEOSSOPVSA-N 0 0 577.921 7.842 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000408577466 572262063 /nfs/dbraw/zinc/26/20/63/572262063.db2.gz ZOZORXBSPNTKSF-VWLOTQADSA-N 0 0 508.575 5.803 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408577773 572262319 /nfs/dbraw/zinc/26/23/19/572262319.db2.gz ZULPTHKRPKRWEQ-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577763 572262321 /nfs/dbraw/zinc/26/23/21/572262321.db2.gz ZUFVFWHLFHQWNG-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000408581751 572264534 /nfs/dbraw/zinc/26/45/34/572264534.db2.gz AHEMNQATIZLFRW-UHFFFAOYSA-N 0 0 572.238 6.603 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000408582122 572264691 /nfs/dbraw/zinc/26/46/91/572264691.db2.gz BNEQLUOQRZSHMK-UHFFFAOYSA-N 0 0 586.265 6.614 40 5 KKBBRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408596684 572271089 /nfs/dbraw/zinc/27/10/89/572271089.db2.gz XLKNVZNBQOBWBI-UHFFFAOYSA-N 0 0 529.880 5.085 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604578 572274092 /nfs/dbraw/zinc/27/40/92/572274092.db2.gz DXRJVYQUMKPOCT-UHFFFAOYSA-N 0 0 597.247 6.860 40 5 KKBBRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4nonc43)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408605921 572274624 /nfs/dbraw/zinc/27/46/24/572274624.db2.gz NNLPJHNSWVIYIP-UHFFFAOYSA-N 0 0 539.371 5.615 40 5 KKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408606554 572274985 /nfs/dbraw/zinc/27/49/85/572274985.db2.gz IPTQQFGOTZKFGY-UHFFFAOYSA-N 0 0 519.278 7.863 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408608105 572275409 /nfs/dbraw/zinc/27/54/09/572275409.db2.gz KMDKHTSCODKGQA-UHFFFAOYSA-N 0 0 590.190 7.860 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408612174 572276759 /nfs/dbraw/zinc/27/67/59/572276759.db2.gz USZINBQJSTWTDK-UHFFFAOYSA-N 0 0 538.769 6.443 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408614127 572277792 /nfs/dbraw/zinc/27/77/92/572277792.db2.gz YQFQKNGKZJDURG-UHFFFAOYSA-N 0 0 536.220 6.628 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408616738 572278956 /nfs/dbraw/zinc/27/89/56/572278956.db2.gz BLNMSNBTDGBBDJ-UHFFFAOYSA-N 0 0 549.992 5.313 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408637716 572294534 /nfs/dbraw/zinc/29/45/34/572294534.db2.gz AUYCWGIRPWOAPC-UHFFFAOYSA-N 0 0 628.391 5.113 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408638037 572294807 /nfs/dbraw/zinc/29/48/07/572294807.db2.gz BOJITOKUFAGGSA-BJKOFHAPSA-N 0 0 636.444 5.702 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638147 572294890 /nfs/dbraw/zinc/29/48/90/572294890.db2.gz BZGGZSPYEYSEBQ-UHFFFAOYSA-N 0 0 882.066 7.882 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408638974 572295442 /nfs/dbraw/zinc/29/54/42/572295442.db2.gz DUXKXCQOPBAMNI-IAIFEWERSA-N 0 0 648.466 5.238 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)c1 ZINC000408639169 572295635 /nfs/dbraw/zinc/29/56/35/572295635.db2.gz VSHBGPXJXBHCRP-OAQYLSRUSA-N 0 0 516.550 5.598 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408639346 572295817 /nfs/dbraw/zinc/29/58/17/572295817.db2.gz FPHGDYFNMMGBGY-UOKFIYJESA-N 0 0 638.460 5.782 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639866 572296145 /nfs/dbraw/zinc/29/61/45/572296145.db2.gz GLNTYSGHFYYHKZ-UHFFFAOYSA-N 0 0 590.375 6.230 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408640975 572296730 /nfs/dbraw/zinc/29/67/30/572296730.db2.gz BURPPFXVWXRWRN-QFIPXVFZSA-N 0 0 633.440 6.567 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641952 572297377 /nfs/dbraw/zinc/29/73/77/572297377.db2.gz DLRZYFBVFNQODJ-YASBFDIKSA-N 0 0 712.114 6.600 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408642640 572297841 /nfs/dbraw/zinc/29/78/41/572297841.db2.gz NMPCXNCAOZAGCW-FMNCTDSISA-N 0 0 604.015 5.129 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408642673 572297911 /nfs/dbraw/zinc/29/79/11/572297911.db2.gz NSCWUMOTNNJNOT-CQSZACIVSA-N 0 0 526.332 5.135 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Br)cc1 ZINC000408643853 572298408 /nfs/dbraw/zinc/29/84/08/572298408.db2.gz QDBSENIRSXHURA-UHFFFAOYSA-N 0 0 646.064 6.507 40 5 KKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408645675 572299362 /nfs/dbraw/zinc/29/93/62/572299362.db2.gz AIMXXGVCXYCVFE-FZNVTIIDSA-N 0 0 608.478 5.696 40 5 KKBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000408646691 572300082 /nfs/dbraw/zinc/30/00/82/572300082.db2.gz UCVNZZIQQDFUEN-UHFFFAOYSA-N 0 0 632.412 5.966 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408646746 572300158 /nfs/dbraw/zinc/30/01/58/572300158.db2.gz UJKYKFHQDKPZDD-UHFFFAOYSA-N 0 0 943.975 8.163 40 5 KKBBRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647197 572300375 /nfs/dbraw/zinc/30/03/75/572300375.db2.gz BHVSQRLDWALTDL-GJLUAVECSA-N 0 0 661.925 6.496 40 5 KKBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408647919 572300711 /nfs/dbraw/zinc/30/07/11/572300711.db2.gz WAVRQTSMSKXSPJ-ZEQRLZLVSA-N 0 0 608.434 6.275 40 5 KKBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408648162 572301107 /nfs/dbraw/zinc/30/11/07/572301107.db2.gz JSCUPRLTEKTTHW-STLIJGODSA-N 0 0 585.616 5.424 40 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COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260704370 572322785 /nfs/dbraw/zinc/32/27/85/572322785.db2.gz AKACTDJFMNFFBQ-HXUWFJFHSA-N 0 0 651.569 5.356 40 5 KKBBRN CC(C)(C)P1c2c(cccc2-c2c3ccccc3cc3ccccc32)O[C@@H]1[C@H]1Oc2cccc(-c3c4ccccc4cc4ccccc43)c2P1C(C)(C)C ZINC000205180225 1069684562 /nfs/dbraw/zinc/68/45/62/1069684562.db2.gz HDNWNMANFZGXKV-PCWWFIRLSA-N 0 0 738.848 13.582 40 5 KKBBRN O=c1oc2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc12 ZINC000102415318 1069702537 /nfs/dbraw/zinc/70/25/37/1069702537.db2.gz HRMSTVYJKIBETG-UHFFFAOYSA-N 0 0 577.419 5.788 40 5 KKBBRN O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1nnc(COc2ccc(Cl)cc2Cl)s1 ZINC000103787076 1069712493 /nfs/dbraw/zinc/71/24/93/1069712493.db2.gz BRQGOIFHJVCJRG-UHFFFAOYSA-N 0 0 598.475 5.167 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000408710452 1069734899 /nfs/dbraw/zinc/73/48/99/1069734899.db2.gz 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CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408848495 1070061095 /nfs/dbraw/zinc/06/10/95/1070061095.db2.gz ZHNUPKFPIQTWLA-WXKAHTKJSA-N 0 0 725.621 6.522 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408852715 1070059393 /nfs/dbraw/zinc/05/93/93/1070059393.db2.gz VTAOISYBOXPBIO-ACHQHTMYSA-N 0 0 802.647 6.373 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408850671 1070064981 /nfs/dbraw/zinc/06/49/81/1070064981.db2.gz QPMUBAXZZFLBFT-QUNTYYFUSA-N 0 0 753.584 5.965 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408910537 1070201984 /nfs/dbraw/zinc/20/19/84/1070201984.db2.gz INZTZZHJZWOEPL-JESJEVRBSA-N 0 0 913.528 7.031 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408917588 1070208786 /nfs/dbraw/zinc/20/87/86/1070208786.db2.gz XXRKHGDZKHJJDI-ZVHZXABRSA-N 0 0 616.433 6.414 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408916903 1070206069 /nfs/dbraw/zinc/20/60/69/1070206069.db2.gz IJTOAZNTZHPUGX-FSJBWODESA-N 0 0 545.400 6.726 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408919223 1070235040 /nfs/dbraw/zinc/23/50/40/1070235040.db2.gz UZKRASNYYGYUDN-YQORSWRPSA-N 0 0 509.743 5.104 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000408919575 1070236008 /nfs/dbraw/zinc/23/60/08/1070236008.db2.gz BEEMZHBVWHSCHD-SUAMDDGLSA-N 0 0 589.695 5.385 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408928148 1070250190 /nfs/dbraw/zinc/25/01/90/1070250190.db2.gz ZYZAAHXZHUHBBS-FJNIOPPGSA-N 0 0 645.759 5.405 40 5 KKBBRN 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/nfs/dbraw/zinc/29/96/71/1070299671.db2.gz NZLZBPMSWYANPQ-BCQKFBGJSA-N 0 0 785.613 5.306 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408948425 1070313237 /nfs/dbraw/zinc/31/32/37/1070313237.db2.gz RNQCIYHFONQHRI-GQFLCQBOSA-N 0 0 763.450 6.372 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5sc6c(c5c(=O)n4C)CCCC6)cc3s2)c([N+](=O)[O-])c1 ZINC000408991781 1070359114 /nfs/dbraw/zinc/35/91/14/1070359114.db2.gz YQFLHNZOPRAKMZ-UHFFFAOYSA-N 0 0 682.831 5.862 40 5 KKBBRN COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408996133 1070365252 /nfs/dbraw/zinc/36/52/52/1070365252.db2.gz OFRUHELADHCCCN-UHFFFAOYSA-N 0 0 546.377 6.680 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996837 1070366198 /nfs/dbraw/zinc/36/61/98/1070366198.db2.gz FFLQXJLPIAUYDY-JEBSQDRDSA-N 0 0 690.734 6.668 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408994865 1070371395 /nfs/dbraw/zinc/37/13/95/1070371395.db2.gz HJOFMCHCQTYBNN-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000097 1070375631 /nfs/dbraw/zinc/37/56/31/1070375631.db2.gz MNFBWOFBJLHLSF-MFUBYVTQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409000370 1070376182 /nfs/dbraw/zinc/37/61/82/1070376182.db2.gz YRONDHNMAYCJKO-KMCFWPMWSA-N 0 0 654.144 6.881 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000409002689 1070379058 /nfs/dbraw/zinc/37/90/58/1070379058.db2.gz PDDRZMXESIAPRN-MHZLTWQESA-N 0 0 540.547 5.019 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409010466 1070388032 /nfs/dbraw/zinc/38/80/32/1070388032.db2.gz FBZRFDLJWJDEOH-VUTHCHCSSA-N 0 0 595.681 5.291 40 5 KKBBRN O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409015149 1070394778 /nfs/dbraw/zinc/39/47/78/1070394778.db2.gz YUFFJIPCPXKGMY-SRZZPIQSSA-N 0 0 699.214 5.615 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000409022170 1070398902 /nfs/dbraw/zinc/39/89/02/1070398902.db2.gz HLMQIHOJAMCLGK-WGOQTCKBSA-N 0 0 536.544 5.167 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)sc2=N1 ZINC000409038969 1070429840 /nfs/dbraw/zinc/42/98/40/1070429840.db2.gz GBGUYRHDTSMPBY-KMBIYUNPSA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035684 1070434923 /nfs/dbraw/zinc/43/49/23/1070434923.db2.gz QAXDHYBOSSAWPN-XSTKMXAKSA-N 0 0 757.059 6.497 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409052004 1070467439 /nfs/dbraw/zinc/46/74/39/1070467439.db2.gz FTBQUFZCGQDCGG-XKZIYDEJSA-N 0 0 541.379 6.186 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409077423 1070493095 /nfs/dbraw/zinc/49/30/95/1070493095.db2.gz FQIWZMZUAZAJBV-DBHVVYFFSA-N 0 0 714.594 6.210 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409091359 1070526568 /nfs/dbraw/zinc/52/65/68/1070526568.db2.gz PRFYFGWYTFMLSK-SUAMDDGLSA-N 0 0 666.575 5.629 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409097566 1070530436 /nfs/dbraw/zinc/53/04/36/1070530436.db2.gz IYYURIRNKFIJDF-QZVQSRICSA-N 0 0 699.254 6.978 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409100763 1070533748 /nfs/dbraw/zinc/53/37/48/1070533748.db2.gz WQLCAWRXYPXAKZ-NPHLBUJTSA-N 0 0 686.171 5.452 40 5 KKBBRN CC(C)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409113444 1070538862 /nfs/dbraw/zinc/53/88/62/1070538862.db2.gz AVUZWNYJIKUGGR-WJOKGBTCSA-N 0 0 521.617 6.991 40 5 KKBBRN Cc1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000409118528 1070544786 /nfs/dbraw/zinc/54/47/86/1070544786.db2.gz QZBKPBOABFTEFB-UHFFFAOYSA-N 0 0 520.221 6.928 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106389 1070540585 /nfs/dbraw/zinc/54/05/85/1070540585.db2.gz NGJIZOKWOBPXFC-UQDCTOEPSA-N 0 0 681.565 5.052 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 ZINC000409114491 1070549258 /nfs/dbraw/zinc/54/92/58/1070549258.db2.gz HRRGGRPGSXWAGU-ODLFYWEKSA-N 0 0 652.226 6.290 40 5 KKBBRN COC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409132224 1070550968 /nfs/dbraw/zinc/55/09/68/1070550968.db2.gz LUCCVJPLTMMUMX-PMERELPUSA-N 0 0 537.572 5.508 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143228 1070571147 /nfs/dbraw/zinc/57/11/47/1070571147.db2.gz WFONYXQRQOWMHL-UAMLYEQYSA-N 0 0 592.677 5.018 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409143578 1070571686 /nfs/dbraw/zinc/57/16/86/1070571686.db2.gz CTBGKYMZIFCKIM-BUVRLJJBSA-N 0 0 535.534 5.973 40 5 KKBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409158923 1070574942 /nfs/dbraw/zinc/57/49/42/1070574942.db2.gz YMWQKMDTZHAPTN-XQNWCSQWSA-N 0 0 587.654 5.064 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409152543 1070577185 /nfs/dbraw/zinc/57/71/85/1070577185.db2.gz FSSLKADFTGRJDQ-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409161551 1070580425 /nfs/dbraw/zinc/58/04/25/1070580425.db2.gz VNWVQXYGRKPNIH-YDZHTSKRSA-N 0 0 521.551 5.545 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409166681 1070584774 /nfs/dbraw/zinc/58/47/74/1070584774.db2.gz FFPAWNJLOWZBHP-YDZHTSKRSA-N 0 0 695.329 7.176 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000409178852 1070594560 /nfs/dbraw/zinc/59/45/60/1070594560.db2.gz NRMHHBQYVDQDDE-LJAQVGFWSA-N 0 0 557.389 7.898 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409178408 1070593584 /nfs/dbraw/zinc/59/35/84/1070593584.db2.gz HIUULNXUOXUDFJ-SANMLTNESA-N 0 0 506.470 5.176 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179208 1070594765 /nfs/dbraw/zinc/59/47/65/1070594765.db2.gz QIQOCPSGDAUISI-KKLWWLSJSA-N 0 0 644.592 7.065 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409194530 1070613548 /nfs/dbraw/zinc/61/35/48/1070613548.db2.gz ORZLWHDYKUQGMQ-NNLIIISGSA-N 0 0 509.301 5.865 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409195244 1070614289 /nfs/dbraw/zinc/61/42/89/1070614289.db2.gz SREPJBQWOGIALK-CIAFOILYSA-N 0 0 622.824 6.681 40 5 KKBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409198631 1070620325 /nfs/dbraw/zinc/62/03/25/1070620325.db2.gz IWDQOHNYNDRPNM-UFWORHAWSA-N 0 0 603.369 6.404 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409204709 1070630940 /nfs/dbraw/zinc/63/09/40/1070630940.db2.gz INGFKUBHPFMTNB-UUASQNMZSA-N 0 0 531.171 5.339 40 5 KKBBRN Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409227778 1070645353 /nfs/dbraw/zinc/64/53/53/1070645353.db2.gz WRODOGFDAWWDCC-JJFYIABZSA-N 0 0 541.379 6.153 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc21 ZINC000409249465 1070666156 /nfs/dbraw/zinc/66/61/56/1070666156.db2.gz JGFHXXMKAIMHOM-YSMPRRRNSA-N 0 0 618.465 6.765 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409254461 1070672703 /nfs/dbraw/zinc/67/27/03/1070672703.db2.gz DRTQBXVOKXBFTR-BHGWPJFGSA-N 0 0 636.004 7.441 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409258295 1070679023 /nfs/dbraw/zinc/67/90/23/1070679023.db2.gz VXVRBJXTBXDGFD-WYMPLXKRSA-N 0 0 601.559 6.706 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409253163 1070685356 /nfs/dbraw/zinc/68/53/56/1070685356.db2.gz WDAIKMUZRZXZBF-NHDPSOOVSA-N 0 0 669.375 6.686 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409261061 1070697029 /nfs/dbraw/zinc/69/70/29/1070697029.db2.gz AQDSNTVWNDXNMK-SRZZPIQSSA-N 0 0 666.428 6.427 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc21 ZINC000409269250 1070703160 /nfs/dbraw/zinc/70/31/60/1070703160.db2.gz AEPHFIYBXWFIGX-AFUMVMLFSA-N 0 0 570.539 6.124 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409269442 1070703841 /nfs/dbraw/zinc/70/38/41/1070703841.db2.gz JQINLFJJPJUNAZ-CIAFOILYSA-N 0 0 530.967 5.565 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270741 1070706784 /nfs/dbraw/zinc/70/67/84/1070706784.db2.gz HXQJXZWNVRQTNJ-IWIPYMOSSA-N 0 0 561.572 5.196 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409273537 1070713159 /nfs/dbraw/zinc/71/31/59/1070713159.db2.gz YXJKDCIVTWGVHU-LSFURLLWSA-N 0 0 670.847 7.805 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409273757 1070713190 /nfs/dbraw/zinc/71/31/90/1070713190.db2.gz SFUWUJZLKWKBPF-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409274403 1070715648 /nfs/dbraw/zinc/71/56/48/1070715648.db2.gz WQDGHWCWQOYATR-WSDLNYQXSA-N 0 0 587.532 5.665 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409275433 1070718760 /nfs/dbraw/zinc/71/87/60/1070718760.db2.gz UMZDZRCERXPSGD-ZMOGYAJESA-N 0 0 517.563 5.093 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409276077 1070720685 /nfs/dbraw/zinc/72/06/85/1070720685.db2.gz YFQKZAYENUQFTO-CVKSISIWSA-N 0 0 575.599 5.239 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409276204 1070720718 /nfs/dbraw/zinc/72/07/18/1070720718.db2.gz OZOWLAOALHEKQX-FOKLQQMPSA-N 0 0 555.515 5.136 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409309674 1070789947 /nfs/dbraw/zinc/78/99/47/1070789947.db2.gz KTOMLVKOIDTASH-UHFFFAOYSA-N 0 0 568.833 5.162 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000409340422 1070846721 /nfs/dbraw/zinc/84/67/21/1070846721.db2.gz WYFKKBYTBYZFCZ-XKZIYDEJSA-N 0 0 518.551 5.581 40 5 KKBBRN O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409337901 1070859911 /nfs/dbraw/zinc/85/99/11/1070859911.db2.gz ZAWADCHMGQIRHS-UHFFFAOYSA-N 0 0 567.699 6.276 40 5 KKBBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCN(Cc3ccccc3)CC2)c1 ZINC000409372233 1070895523 /nfs/dbraw/zinc/89/55/23/1070895523.db2.gz YJDFNNJEMJYXDT-UHFFFAOYSA-N 0 0 526.456 5.430 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000409384620 1070901652 /nfs/dbraw/zinc/90/16/52/1070901652.db2.gz DVWTXOMKWDYQMQ-SRZZPIQSSA-N 0 0 573.377 5.552 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408902855 1070907494 /nfs/dbraw/zinc/90/74/94/1070907494.db2.gz MIMMFXXPLFDCCE-JAIQZWGSSA-N 0 0 587.249 5.469 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399468 1070913193 /nfs/dbraw/zinc/91/31/93/1070913193.db2.gz IXMRCFLSSWMVMA-UUYOSTAYSA-N 0 0 561.934 5.453 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917146 1070992395 /nfs/dbraw/zinc/99/23/95/1070992395.db2.gz NSSMCGPBZBPZDR-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409060040 1071068268 /nfs/dbraw/zinc/06/82/68/1071068268.db2.gz RRRYEDZUNXGTLM-WQRHYEAKSA-N 0 0 570.259 6.535 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408927186 1071070314 /nfs/dbraw/zinc/07/03/14/1071070314.db2.gz VPESTCLRARKFGS-YVBHXKDBSA-N 0 0 694.629 6.158 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408923367 1071088358 /nfs/dbraw/zinc/08/83/58/1071088358.db2.gz CFQBCOITNUBFJR-XIEYBQDHSA-N 0 0 548.020 6.537 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000408920549 1071102829 /nfs/dbraw/zinc/10/28/29/1071102829.db2.gz JYKHFRNIGIWGPE-VZVSMJQGSA-N 0 0 654.748 6.155 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918367 1071134693 /nfs/dbraw/zinc/13/46/93/1071134693.db2.gz JPBRNHHXBKXWNW-YQORSWRPSA-N 0 0 509.743 5.104 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918366 1071134805 /nfs/dbraw/zinc/13/48/05/1071134805.db2.gz JPBRNHHXBKXWNW-ISQHLFTMSA-N 0 0 509.743 5.104 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000408918365 1071134856 /nfs/dbraw/zinc/13/48/56/1071134856.db2.gz JPBRNHHXBKXWNW-CAZKKTPXSA-N 0 0 509.743 5.104 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408918343 1071134878 /nfs/dbraw/zinc/13/48/78/1071134878.db2.gz JKKWOZZPNADWBP-YDZHTSKRSA-N 0 0 568.007 5.819 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408917679 1071145181 /nfs/dbraw/zinc/14/51/81/1071145181.db2.gz ZULUVDRZYYMEHK-AFUMVMLFSA-N 0 0 517.994 6.796 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408929267 1071170968 /nfs/dbraw/zinc/17/09/68/1071170968.db2.gz SZCCZMBZFNCZQP-ZMOGYAJESA-N 0 0 626.485 6.237 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1C ZINC000408928506 1071184652 /nfs/dbraw/zinc/18/46/52/1071184652.db2.gz CCKNHMLAYKEZAQ-LQKURTRISA-N 0 0 567.623 6.619 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000197563782 1071206497 /nfs/dbraw/zinc/20/64/97/1071206497.db2.gz RXRUZLYRAOBKIA-MZANGIHLSA-N 0 0 618.092 5.819 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214965978 1071207021 /nfs/dbraw/zinc/20/70/21/1071207021.db2.gz TYXBFUNFHFKYPS-RGVLZGJSSA-N 0 0 542.367 5.790 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 ZINC000408935353 1071225342 /nfs/dbraw/zinc/22/53/42/1071225342.db2.gz DKUPJHQPHHOFLN-QARYAGPDSA-N 0 0 638.496 5.126 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934893 1071229820 /nfs/dbraw/zinc/22/98/20/1071229820.db2.gz DGECTTDZNQXIHG-FVUNBJOLSA-N 0 0 636.730 5.497 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408934795 1071232198 /nfs/dbraw/zinc/23/21/98/1071232198.db2.gz CZYLNVVBDKTUKJ-NFYDWNOTSA-N 0 0 672.941 5.780 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408933907 1071238955 /nfs/dbraw/zinc/23/89/55/1071238955.db2.gz BAETYMVWCPDMNF-VPHSIRQSSA-N 0 0 710.578 5.974 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933490 1071240063 /nfs/dbraw/zinc/24/00/63/1071240063.db2.gz BAEDQPJDOLPEBZ-UONGPDOGSA-N 0 0 867.456 5.512 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408946534 1071268424 /nfs/dbraw/zinc/26/84/24/1071268424.db2.gz OZVQOTFWHOFJNG-JNNIQXQOSA-N 0 0 738.613 5.464 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946578 1071269197 /nfs/dbraw/zinc/26/91/97/1071269197.db2.gz YYKVVVZQMFNKIV-UAMLYEQYSA-N 0 0 678.163 5.735 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408938242 1071333260 /nfs/dbraw/zinc/33/32/60/1071333260.db2.gz HLCJMCRPCCBEOO-ILLSWNIOSA-N 0 0 729.005 5.719 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1 ZINC000408684217 1071344589 /nfs/dbraw/zinc/34/45/89/1071344589.db2.gz NAJRIFYVSZWWLM-UHFFFAOYSA-N 0 0 601.613 6.398 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684144 1071345083 /nfs/dbraw/zinc/34/50/83/1071345083.db2.gz MWJVVQRDPPMKQW-FZDFQQAASA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685131 1071357451 /nfs/dbraw/zinc/35/74/51/1071357451.db2.gz OTLJOHPJFRVFHR-QYVZARNFSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408685128 1071357480 /nfs/dbraw/zinc/35/74/80/1071357480.db2.gz OTLJOHPJFRVFHR-HCXPYDJZSA-N 0 0 563.997 5.698 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684500 1071360476 /nfs/dbraw/zinc/36/04/76/1071360476.db2.gz NPTFGWYOSSDENM-HCXPYDJZSA-N 0 0 547.542 5.184 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408950604 1071355315 /nfs/dbraw/zinc/35/53/15/1071355315.db2.gz TZUFEIHKWQGYPT-FUFNRSNVSA-N 0 0 555.055 5.377 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408685371 1071356573 /nfs/dbraw/zinc/35/65/73/1071356573.db2.gz PFZNJDDHSNSQAU-UHFFFAOYSA-N 0 0 608.048 7.369 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408683331 1071366795 /nfs/dbraw/zinc/36/67/95/1071366795.db2.gz LDEHXOZKGFYWJC-UHFFFAOYSA-N 0 0 734.952 6.638 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408683163 1071367339 /nfs/dbraw/zinc/36/73/39/1071367339.db2.gz KOUBHBGMDJUFLI-UHFFFAOYSA-N 0 0 796.404 7.060 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000408682649 1071369173 /nfs/dbraw/zinc/36/91/73/1071369173.db2.gz LAONSGYIYWVGNB-NPYONTDKSA-N 0 0 587.588 5.095 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408682206 1071371714 /nfs/dbraw/zinc/37/17/14/1071371714.db2.gz KFRSIMQRIYCJKM-UHFFFAOYSA-N 0 0 591.231 5.855 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408681305 1071376221 /nfs/dbraw/zinc/37/62/21/1071376221.db2.gz HRGXSGZLGDSMHU-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408956140 1071379391 /nfs/dbraw/zinc/37/93/91/1071379391.db2.gz YUGXJGOLJDDKEE-IZBTWGKQSA-N 0 0 644.887 5.001 40 5 KKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)n1 ZINC000408694831 1071386078 /nfs/dbraw/zinc/38/60/78/1071386078.db2.gz MQOBCUSGBJPKSV-UHFFFAOYSA-N 0 0 543.175 5.620 40 5 KKBBRN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408691184 1071399755 /nfs/dbraw/zinc/39/97/55/1071399755.db2.gz YQTKTHQYKXRJRU-LBPRGKRZSA-N 0 0 577.204 5.401 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689676 1071411064 /nfs/dbraw/zinc/41/10/64/1071411064.db2.gz YUXQUFGNZYEIQJ-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408689581 1071411658 /nfs/dbraw/zinc/41/16/58/1071411658.db2.gz YQXODFVSEMVZDW-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688612 1071420725 /nfs/dbraw/zinc/42/07/25/1071420725.db2.gz WJBHRPDKYPYNMJ-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408688329 1071423592 /nfs/dbraw/zinc/42/35/92/1071423592.db2.gz VZTSWAUWUJBEAB-HCXPYDJZSA-N 0 0 608.994 5.606 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 ZINC000408958948 1071438365 /nfs/dbraw/zinc/43/83/65/1071438365.db2.gz XNTXVJNAWUEYSP-PNQAETMRSA-N 0 0 715.626 6.178 40 5 KKBBRN O=c1n(Cc2ccc(Cl)c(Cl)c2)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000408976464 1071471008 /nfs/dbraw/zinc/47/10/08/1071471008.db2.gz RBSQVWCPPPALNB-UHFFFAOYSA-N 0 0 542.162 6.330 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408974713 1071478813 /nfs/dbraw/zinc/47/88/13/1071478813.db2.gz CGBYGHNRUQJTFG-LMSRTUJASA-N 0 0 594.045 5.019 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000408710450 1071508501 /nfs/dbraw/zinc/50/85/01/1071508501.db2.gz FILNDZHGSISVLR-UHFFFAOYSA-N 0 0 533.500 5.380 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408984903 1071504028 /nfs/dbraw/zinc/50/40/28/1071504028.db2.gz NGYGKSGQKANWSM-UBXIJNLVSA-N 0 0 700.773 5.864 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408982386 1071527978 /nfs/dbraw/zinc/52/79/78/1071527978.db2.gz DKZDWRCCSYWOPW-FABFSAKGSA-N 0 0 822.475 6.790 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408982376 1071528021 /nfs/dbraw/zinc/52/80/21/1071528021.db2.gz DKAUGXXWCFGWPQ-PEPUGYCWSA-N 0 0 899.501 6.641 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000408981758 1071531356 /nfs/dbraw/zinc/53/13/56/1071531356.db2.gz BLEQMQHPAVPGCS-SWBDNCPRSA-N 0 0 640.721 5.847 40 5 KKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4[N+](=O)[O-])c3cc21 ZINC000408719356 1071547079 /nfs/dbraw/zinc/54/70/79/1071547079.db2.gz CLLTXOVWQQOCOL-UHFFFAOYSA-N 0 0 660.646 8.438 40 5 KKBBRN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(OC)cc5)c4cc32)cc1 ZINC000408720711 1071542965 /nfs/dbraw/zinc/54/29/65/1071542965.db2.gz XIJGGHYMOUJQCN-UHFFFAOYSA-N 0 0 630.704 8.639 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720473 1071543396 /nfs/dbraw/zinc/54/33/96/1071543396.db2.gz QLFBPYXHPNKIFL-TVNKHIRZSA-N 0 0 520.585 6.009 40 5 KKBBRN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccc(Br)cc4)c3cc21 ZINC000408720476 1071543609 /nfs/dbraw/zinc/54/36/09/1071543609.db2.gz QTFKJIOAHXRXBG-UHFFFAOYSA-N 0 0 728.444 10.147 40 5 KKBBRN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@@H](C)c4ccccc4)c3cc21)c1ccccc1 ZINC000408720544 1071544633 /nfs/dbraw/zinc/54/46/33/1071544633.db2.gz UCALUVFLTQBFEV-HNRBIFIRSA-N 0 0 626.760 9.099 40 5 KKBBRN COc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408737040 1071553928 /nfs/dbraw/zinc/55/39/28/1071553928.db2.gz LEVFFLCKMDYRGJ-AREMUKBSSA-N 0 0 509.562 5.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733636 1071550666 /nfs/dbraw/zinc/55/06/66/1071550666.db2.gz NIAMQJCAGNCVLS-YRSDHNRQSA-N 0 0 684.941 7.187 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccccc1 ZINC000408733516 1071552234 /nfs/dbraw/zinc/55/22/34/1071552234.db2.gz YVTDQJKTMGFJKJ-NWIVXPOESA-N 0 0 530.536 5.578 40 5 KKBBRN Cc1cccc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736388 1071555651 /nfs/dbraw/zinc/55/56/51/1071555651.db2.gz BKUPNIBPQYRULZ-MHZLTWQESA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408994847 1071555749 /nfs/dbraw/zinc/55/57/49/1071555749.db2.gz HCUWJJUZTDKUAR-HGGMLFSRSA-N 0 0 711.752 6.225 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994868 1071555834 /nfs/dbraw/zinc/55/58/34/1071555834.db2.gz HJYOQTHPCOBSIK-OTHIGLTOSA-N 0 0 693.803 6.153 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735370 1071560077 /nfs/dbraw/zinc/56/00/77/1071560077.db2.gz QTSITOXIXLFKGA-TZUCAZQYSA-N 0 0 674.688 5.204 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735082 1071562000 /nfs/dbraw/zinc/56/20/00/1071562000.db2.gz NRHNDJPKDAGILJ-PHEPMGQCSA-N 0 0 754.865 7.629 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408734349 1071565350 /nfs/dbraw/zinc/56/53/50/1071565350.db2.gz XEJXULLJFDQECZ-FIXXDFOUSA-N 0 0 720.587 6.861 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734275 1071567135 /nfs/dbraw/zinc/56/71/35/1071567135.db2.gz WAMMJCWDMVQGHD-ANTIOXBPSA-N 0 0 748.641 7.559 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733793 1071570349 /nfs/dbraw/zinc/57/03/49/1071570349.db2.gz RGPQEOWQHOGDAX-BXMULHQWSA-N 0 0 813.908 7.724 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734170 1071568328 /nfs/dbraw/zinc/56/83/28/1071568328.db2.gz FCCJOQZRBPHMHQ-PKYOQBLNSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408992931 1071568352 /nfs/dbraw/zinc/56/83/52/1071568352.db2.gz UDVOQSOCJOFLEQ-PEPUGYCWSA-N 0 0 678.679 5.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733940 1071568968 /nfs/dbraw/zinc/56/89/68/1071568968.db2.gz SLBGOBITAJLMSO-PLQXQRLBSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733426 1071572406 /nfs/dbraw/zinc/57/24/06/1071572406.db2.gz IWXUNKUHGRIEMC-KEFSUDQCSA-N 0 0 734.614 7.169 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)o1 ZINC000408992152 1071575728 /nfs/dbraw/zinc/57/57/28/1071575728.db2.gz ZVVQAJIFGIQYII-HWMPQDOQSA-N 0 0 632.876 5.284 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733041 1071573840 /nfs/dbraw/zinc/57/38/40/1071573840.db2.gz DNULZHHDKLORSF-ORVZPOCUSA-N 0 0 592.073 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408992070 1071575215 /nfs/dbraw/zinc/57/52/15/1071575215.db2.gz QHXOUXAXHIIIND-NIQJEMAJSA-N 0 0 639.136 5.714 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408992077 1071575228 /nfs/dbraw/zinc/57/52/28/1071575228.db2.gz ZLUJCYVISFLPNH-LRUGRNCASA-N 0 0 646.508 6.411 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408733021 1071576837 /nfs/dbraw/zinc/57/68/37/1071576837.db2.gz VBLUVMFKZVDQNW-VLQWODCGSA-N 0 0 580.980 5.932 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408991799 1071577605 /nfs/dbraw/zinc/57/76/05/1071577605.db2.gz YURYRXWHIDYXCF-KDNBERQASA-N 0 0 720.985 6.528 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408991736 1071579150 /nfs/dbraw/zinc/57/91/50/1071579150.db2.gz PCOZTBTVQTUKLH-UHFFFAOYSA-N 0 0 611.686 7.150 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000408731347 1071582236 /nfs/dbraw/zinc/58/22/36/1071582236.db2.gz JYKCRWPKMWXGRK-QNMIOERPSA-N 0 0 544.947 5.087 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408731365 1071582677 /nfs/dbraw/zinc/58/26/77/1071582677.db2.gz KADUWVWGFRKWSO-LQBCTSRJSA-N 0 0 560.562 5.587 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408731119 1071584513 /nfs/dbraw/zinc/58/45/13/1071584513.db2.gz JBABRQLRHGCBIV-GSEVSCEOSA-N 0 0 574.545 5.307 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 ZINC000408730796 1071585577 /nfs/dbraw/zinc/58/55/77/1071585577.db2.gz HVWKTSBXFLPKIR-BJPINVTDSA-N 0 0 576.561 5.287 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730334 1071587753 /nfs/dbraw/zinc/58/77/53/1071587753.db2.gz PTEFOWZDRQKQJE-PKYOQBLNSA-N 0 0 595.633 5.128 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730392 1071588220 /nfs/dbraw/zinc/58/82/20/1071588220.db2.gz QKHYUCUPWIDMLM-IZBTWGKQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730004 1071588727 /nfs/dbraw/zinc/58/87/27/1071588727.db2.gz DBARMWPHJHZOAS-SZYVSPPHSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729917 1071589834 /nfs/dbraw/zinc/58/98/34/1071589834.db2.gz KVMYTXQDINWYCF-YVBHXKDBSA-N 0 0 640.630 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729853 1071589902 /nfs/dbraw/zinc/58/99/02/1071589902.db2.gz KALNCEAVCGIKNH-DKOMQPSQSA-N 0 0 797.365 5.184 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408728275 1071597042 /nfs/dbraw/zinc/59/70/42/1071597042.db2.gz JHUVQIZXVTXHQM-CSKPTYFESA-N 0 0 633.090 5.767 40 5 KKBBRN CC(C)c1cc(I)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738939 1071606672 /nfs/dbraw/zinc/60/66/72/1071606672.db2.gz XEVLDAHPCXRCDB-DEOSSOPVSA-N 0 0 587.414 5.799 40 5 KKBBRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408988159 1071607177 /nfs/dbraw/zinc/60/71/77/1071607177.db2.gz HGSKEIRYKHWBBR-UHFFFAOYSA-N 0 0 505.596 6.609 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738501 1071608912 /nfs/dbraw/zinc/60/89/12/1071608912.db2.gz KZODDEMNZFRJSA-RISWYLRJSA-N 0 0 594.045 5.019 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408996151 1071619089 /nfs/dbraw/zinc/61/90/89/1071619089.db2.gz OIPQRZZTRHCHKJ-WGJPBTIMSA-N 0 0 821.569 7.670 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996229 1071619522 /nfs/dbraw/zinc/61/95/22/1071619522.db2.gz LQZQMXFHAQOWRE-IYCJABBDSA-N 0 0 690.734 6.668 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408756229 1071639968 /nfs/dbraw/zinc/63/99/68/1071639968.db2.gz OUBLZLLSOGVESR-FVJLIQDKSA-N 0 0 635.701 6.599 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3OC)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000408755955 1071639987 /nfs/dbraw/zinc/63/99/87/1071639987.db2.gz GKZZKPOWVKNNOG-DDIUQFJASA-N 0 0 591.645 5.504 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408756609 1071637127 /nfs/dbraw/zinc/63/71/27/1071637127.db2.gz ICSISQKBLCAGLZ-UHFFFAOYSA-N 0 0 502.324 6.363 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3OC)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 ZINC000408755959 1071639922 /nfs/dbraw/zinc/63/99/22/1071639922.db2.gz GKZZKPOWVKNNOG-IMUCPKNRSA-N 0 0 591.645 5.504 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409002190 1071641887 /nfs/dbraw/zinc/64/18/87/1071641887.db2.gz YVLQVHIJEMKSOP-DGBHDHARSA-N 0 0 689.790 6.555 40 5 KKBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(C24CC5CC(CC(C5)C2)C4)cc1)C3=O ZINC000408755907 1071642205 /nfs/dbraw/zinc/64/22/05/1071642205.db2.gz GHSUGRRUWIDYSD-UHFFFAOYSA-N 0 0 621.531 8.754 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409001243 1071645854 /nfs/dbraw/zinc/64/58/54/1071645854.db2.gz OMZSXDMFFOZWAE-WGJPBTIMSA-N 0 0 915.569 7.354 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408755327 1071645923 /nfs/dbraw/zinc/64/59/23/1071645923.db2.gz KCHYZACWNDQUAI-VCLSCOGJSA-N 0 0 756.631 6.203 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408755159 1071646532 /nfs/dbraw/zinc/64/65/32/1071646532.db2.gz PWEOKRPDVPUOHY-WGJPBTIMSA-N 0 0 678.679 5.553 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408755168 1071647144 /nfs/dbraw/zinc/64/71/44/1071647144.db2.gz ZBGNGCRWMQMGNC-ZGOFBEGVSA-N 0 0 525.029 5.368 40 5 KKBBRN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409000129 1071651008 /nfs/dbraw/zinc/65/10/08/1071651008.db2.gz DTWRLTWPTNIFOW-LJAQVGFWSA-N 0 0 561.594 5.362 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408753457 1071659171 /nfs/dbraw/zinc/65/91/71/1071659171.db2.gz ABASANANTPZMAK-CBPRFPNYSA-N 0 0 631.666 5.063 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408997508 1071663791 /nfs/dbraw/zinc/66/37/91/1071663791.db2.gz MSSMMHGFUYDAFH-ZGOFBEGVSA-N 0 0 634.508 5.048 40 5 KKBBRN CN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)CC1 ZINC000408750312 1071677202 /nfs/dbraw/zinc/67/72/02/1071677202.db2.gz ZTUKPXRVLFRTIJ-UHFFFAOYSA-N 0 0 547.662 5.137 40 5 KKBBRN CC(C)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408749446 1071684406 /nfs/dbraw/zinc/68/44/06/1071684406.db2.gz GXALWHJPVZYJLI-UHFFFAOYSA-N 0 0 532.603 5.859 40 5 KKBBRN Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 ZINC000408749468 1071684414 /nfs/dbraw/zinc/68/44/14/1071684414.db2.gz HATJBRROOFTVCQ-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409011147 1071689524 /nfs/dbraw/zinc/68/95/24/1071689524.db2.gz MKRMZACUYSWEEN-VPNURPJOSA-N 0 0 535.416 6.170 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409010996 1071689744 /nfs/dbraw/zinc/68/97/44/1071689744.db2.gz FDMHSARUNJFDDO-FVUPAENESA-N 0 0 579.425 5.323 40 5 KKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409010117 1071693640 /nfs/dbraw/zinc/69/36/40/1071693640.db2.gz JPPMGJARSLVVOG-NNLQFVHNSA-N 0 0 570.259 6.534 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409010121 1071693664 /nfs/dbraw/zinc/69/36/64/1071693664.db2.gz JPPMGJARSLVVOG-SGEFVQMOSA-N 0 0 570.259 6.534 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409009512 1071695667 /nfs/dbraw/zinc/69/56/67/1071695667.db2.gz APTSOTROCXOQJB-MQMKENTISA-N 0 0 579.425 5.323 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408758623 1071704488 /nfs/dbraw/zinc/70/44/88/1071704488.db2.gz NYFJJNDAMQEJQL-OTHIGLTOSA-N 0 0 677.735 5.440 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)c(C)c3)C2=O)cc1C ZINC000408757710 1071709746 /nfs/dbraw/zinc/70/97/46/1071709746.db2.gz PCHBDWKGMLGDFU-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408757735 1071709817 /nfs/dbraw/zinc/70/98/17/1071709817.db2.gz PVNKMFZPYZWXHE-UHFFFAOYSA-N 0 0 558.432 7.133 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758079 1071707756 /nfs/dbraw/zinc/70/77/56/1071707756.db2.gz VBEJMKAGVCARCR-VGEDDRPUSA-N 0 0 787.632 6.436 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408757615 1071711140 /nfs/dbraw/zinc/71/11/40/1071711140.db2.gz NTFCLCATGSBQGW-IMUCPKNRSA-N 0 0 591.645 5.504 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408757448 1071711708 /nfs/dbraw/zinc/71/17/08/1071711708.db2.gz NKFABGNXBVCCMG-UHFFFAOYSA-N 0 0 544.361 6.245 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408757509 1071712028 /nfs/dbraw/zinc/71/20/28/1071712028.db2.gz YSTRRSPJVFXCLL-LLXISZFLSA-N 0 0 696.579 6.185 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2O)C4=O)ccc1Br ZINC000408757264 1071712507 /nfs/dbraw/zinc/71/25/07/1071712507.db2.gz LNCSTNLFACQAMT-UHFFFAOYSA-N 0 0 503.308 5.992 40 5 KKBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409021022 1071724428 /nfs/dbraw/zinc/72/44/28/1071724428.db2.gz WYWGIMGPTSVVDM-PVGUKEHMSA-N 0 0 534.974 5.214 40 5 KKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409019388 1071730131 /nfs/dbraw/zinc/73/01/31/1071730131.db2.gz IULNCJYNXAZQEV-OTGIAGGSSA-N 0 0 568.389 5.622 40 5 KKBBRN CC(C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409017646 1071735231 /nfs/dbraw/zinc/73/52/31/1071735231.db2.gz NUEKGWWLBWJFNM-RQZCQDPDSA-N 0 0 650.232 5.828 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000409036628 1071741126 /nfs/dbraw/zinc/74/11/26/1071741126.db2.gz LZCQJGWWIDQZFE-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409036643 1071741586 /nfs/dbraw/zinc/74/15/86/1071741586.db2.gz SADPPCIYVYLVEJ-ITNPZBTBSA-N 0 0 648.137 5.728 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n31)c1ccccc1CC2 ZINC000408770577 1071742162 /nfs/dbraw/zinc/74/21/62/1071742162.db2.gz ZEIDKNNMLPRGKI-HWANIQDNSA-N 0 0 674.760 5.427 40 5 KKBBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408777044 1071746490 /nfs/dbraw/zinc/74/64/90/1071746490.db2.gz UHABXMAYFPDAKQ-IYVASWNSSA-N 0 0 584.492 6.497 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035832 1071747046 /nfs/dbraw/zinc/74/70/46/1071747046.db2.gz UGHPKFZMGAMZSS-TZUCAZQYSA-N 0 0 631.707 5.379 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035378 1071752926 /nfs/dbraw/zinc/75/29/26/1071752926.db2.gz JRQBZWHHMSXOKK-OIUASMPBSA-N 0 0 643.718 5.081 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408776408 1071749444 /nfs/dbraw/zinc/74/94/44/1071749444.db2.gz OFIIOGYDGHCPQH-QQMBNGEASA-N 0 0 620.618 6.067 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 ZINC000408776435 1071749494 /nfs/dbraw/zinc/74/94/94/1071749494.db2.gz ODOCRLMGICWFSJ-KGONEIDKSA-N 0 0 648.435 6.071 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408776275 1071750025 /nfs/dbraw/zinc/75/00/25/1071750025.db2.gz YAXAIHBBQFIWJW-MIUGUJGPSA-N 0 0 584.028 6.279 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408774351 1071761305 /nfs/dbraw/zinc/76/13/05/1071761305.db2.gz CEVYUENQNAXYDX-IYVASWNSSA-N 0 0 759.498 6.532 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034064 1071765162 /nfs/dbraw/zinc/76/51/62/1071765162.db2.gz GMFMWIVGZBTBQN-JPAPTLSNSA-N 0 0 844.637 6.206 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033474 1071770633 /nfs/dbraw/zinc/77/06/33/1071770633.db2.gz LKCNFKMDAMEKPE-RWIWXHOOSA-N 0 0 835.513 6.305 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408772676 1071772420 /nfs/dbraw/zinc/77/24/20/1071772420.db2.gz FCOYLZDOGILGFJ-QZVQSRICSA-N 0 0 772.699 6.916 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033163 1071772617 /nfs/dbraw/zinc/77/26/17/1071772617.db2.gz NFUKVQLOEIGODN-ZGOFBEGVSA-N 0 0 664.534 5.057 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033031 1071774878 /nfs/dbraw/zinc/77/48/78/1071774878.db2.gz DFFPEGPMRHBPOZ-LCQSEVKBSA-N 0 0 638.098 5.417 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771656 1071779499 /nfs/dbraw/zinc/77/94/99/1071779499.db2.gz IMQCYYOITYLLRR-MIUGUJGPSA-N 0 0 600.483 6.794 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032854 1071776506 /nfs/dbraw/zinc/77/65/06/1071776506.db2.gz JQQKBAWWMJAQIN-IVRZUQNJSA-N 0 0 892.519 5.603 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032430 1071780589 /nfs/dbraw/zinc/78/05/89/1071780589.db2.gz IYGRNUOGHJLXLU-TZUCAZQYSA-N 0 0 674.688 5.203 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032190 1071781124 /nfs/dbraw/zinc/78/11/24/1071781124.db2.gz LJWOSUYBEGGWJI-PGUFECHJSA-N 0 0 801.068 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408771423 1071781789 /nfs/dbraw/zinc/78/17/89/1071781789.db2.gz HZNBAOSJVBXZNE-MFCBUNOESA-N 0 0 853.498 6.217 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409031904 1071783039 /nfs/dbraw/zinc/78/30/39/1071783039.db2.gz BIZNNFYFBLEOIK-JAYSWQADSA-N 0 0 703.398 6.355 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000409031951 1071783508 /nfs/dbraw/zinc/78/35/08/1071783508.db2.gz IESVTTNVUUTVSI-ABBNRAPFSA-N 0 0 651.539 5.049 40 5 KKBBRN O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408770355 1071786744 /nfs/dbraw/zinc/78/67/44/1071786744.db2.gz WMLGIWVOVQCPHI-VNOBABJFSA-N 0 0 723.630 6.181 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409031560 1071788086 /nfs/dbraw/zinc/78/80/86/1071788086.db2.gz HDRWXUNZOUYSHS-RISWYLRJSA-N 0 0 807.404 5.495 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031544 1071788127 /nfs/dbraw/zinc/78/81/27/1071788127.db2.gz HFQAWIZXMXXABP-FZEVDNDPSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)N(C)C2=S)cc1 ZINC000409031146 1071792096 /nfs/dbraw/zinc/79/20/96/1071792096.db2.gz JAMWHJIWINHDOR-HAHDFKILSA-N 0 0 523.998 5.830 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409030889 1071792628 /nfs/dbraw/zinc/79/26/28/1071792628.db2.gz IIKCFUBKCKAMRO-FQKMCRJQSA-N 0 0 642.517 6.062 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409030968 1071793662 /nfs/dbraw/zinc/79/36/62/1071793662.db2.gz FXUGZMBULLIWGK-PLMBTIQCSA-N 0 0 727.033 6.490 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000409029415 1071807320 /nfs/dbraw/zinc/80/73/20/1071807320.db2.gz AQIGFFVAQBMODQ-LCQSEVKBSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OCC(=O)OC)c(OCC)c3)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000409029731 1071804316 /nfs/dbraw/zinc/80/43/16/1071804316.db2.gz ASUOHBUCMFXWDL-FWWOIACNSA-N 0 0 838.686 5.175 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408782085 1071812476 /nfs/dbraw/zinc/81/24/76/1071812476.db2.gz VPXSYOHAJGZVRC-CBYYHRJHSA-N 0 0 540.439 6.098 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000409038181 1071815146 /nfs/dbraw/zinc/81/51/46/1071815146.db2.gz OTFOURLRHDBOKL-IWIPYMOSSA-N 0 0 569.433 6.360 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038122 1071817478 /nfs/dbraw/zinc/81/74/78/1071817478.db2.gz UTSQRHWEHRDVQN-SILQVNICSA-N 0 0 791.504 7.151 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)S2)cc1 ZINC000408780836 1071821839 /nfs/dbraw/zinc/82/18/39/1071821839.db2.gz LUUOWHVIJJBVNQ-QDNAUZDWSA-N 0 0 530.433 6.643 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037526 1071822851 /nfs/dbraw/zinc/82/28/51/1071822851.db2.gz CWULUOMXLAUNSR-AQXMYRKDSA-N 0 0 827.619 5.129 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409046437 1071832870 /nfs/dbraw/zinc/83/28/70/1071832870.db2.gz KEOLWGSBEMONSS-BKUYFWCQSA-N 0 0 603.292 6.303 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 ZINC000408778835 1071834639 /nfs/dbraw/zinc/83/46/39/1071834639.db2.gz MEFUKQZZAFRWBC-HAWPWTPLSA-N 0 0 650.156 6.858 40 5 KKBBRN Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C ZINC000408777671 1071842720 /nfs/dbraw/zinc/84/27/20/1071842720.db2.gz FPGISJILAFWTSA-SELCLYCASA-N 0 0 604.644 6.012 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408777882 1071840648 /nfs/dbraw/zinc/84/06/48/1071840648.db2.gz KYGOLSALZBPJIU-CTHKJOMYSA-N 0 0 887.465 6.771 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409045431 1071840703 /nfs/dbraw/zinc/84/07/03/1071840703.db2.gz PMRMEOROIDFNLJ-YNMQQHPQSA-N 0 0 678.561 5.447 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408777644 1071842029 /nfs/dbraw/zinc/84/20/29/1071842029.db2.gz DWEFDQYFOZRUGR-QQMBNGEASA-N 0 0 637.073 6.581 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408778494 1071836973 /nfs/dbraw/zinc/83/69/73/1071836973.db2.gz GJSZBRZOBOCBGX-HNVAQCFTSA-N 0 0 665.699 5.571 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408778496 1071837089 /nfs/dbraw/zinc/83/70/89/1071837089.db2.gz GJSZBRZOBOCBGX-JESJEVRBSA-N 0 0 665.699 5.571 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409045997 1071837064 /nfs/dbraw/zinc/83/70/64/1071837064.db2.gz QSPWDKXKRUYVBN-FQKMCRJQSA-N 0 0 642.517 6.062 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409045994 1071837209 /nfs/dbraw/zinc/83/72/09/1071837209.db2.gz QSPWDKXKRUYVBN-CRCYZHLCSA-N 0 0 642.517 6.062 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)N(C)C2=S)cc1 ZINC000409044516 1071848072 /nfs/dbraw/zinc/84/80/72/1071848072.db2.gz GTXMYCNCAJRTTP-HAHDFKILSA-N 0 0 568.449 5.939 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043558 1071859470 /nfs/dbraw/zinc/85/94/70/1071859470.db2.gz MYTPGQSCKYUFJN-JJHILCALSA-N 0 0 704.714 5.211 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408784947 1071860565 /nfs/dbraw/zinc/86/05/65/1071860565.db2.gz DPKKIHMOVZRVDV-MDINZUHSSA-N 0 0 694.209 7.200 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)sc2=N1 ZINC000409043232 1071861970 /nfs/dbraw/zinc/86/19/70/1071861970.db2.gz DJZKZYOWBUWVEA-ASUJOLEISA-N 0 0 605.672 5.439 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409042866 1071863843 /nfs/dbraw/zinc/86/38/43/1071863843.db2.gz DDMNKKQEEJYFML-ZPMAPHDVSA-N 0 0 685.202 6.460 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)sc2=N1 ZINC000408784476 1071864016 /nfs/dbraw/zinc/86/40/16/1071864016.db2.gz CKKDGCPEQCSAJL-VSQRRKBNSA-N 0 0 698.823 5.802 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042464 1071869497 /nfs/dbraw/zinc/86/94/97/1071869497.db2.gz KXNBVPNUWWBPEW-QQMBNGEASA-N 0 0 722.614 5.844 40 5 KKBBRN Cc1cc2c(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c2c(C)c1 ZINC000408788701 1071897673 /nfs/dbraw/zinc/89/76/73/1071897673.db2.gz GCOBSFQMTNPASE-LVNODGKISA-N 0 0 608.723 6.992 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038529 1071907282 /nfs/dbraw/zinc/90/72/82/1071907282.db2.gz VXVJXFBWAWOQAU-ZJTZAHLKSA-N 0 0 638.098 5.416 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408805278 1071907544 /nfs/dbraw/zinc/90/75/44/1071907544.db2.gz FSOPSFGAEAPVDW-LLXISZFLSA-N 0 0 665.699 5.571 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050652 1071910601 /nfs/dbraw/zinc/91/06/01/1071910601.db2.gz YDGGKFVRQBQTRU-QEEORQGDSA-N 0 0 845.519 5.761 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409057221 1071917669 /nfs/dbraw/zinc/91/76/69/1071917669.db2.gz UWEFIFQWMMREBV-QRVIBDJDSA-N 0 0 785.354 5.539 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409053772 1071938719 /nfs/dbraw/zinc/93/87/19/1071938719.db2.gz HSBHPTKBXQTSEN-MTJSOVHGSA-N 0 0 714.275 6.633 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409051775 1071949274 /nfs/dbraw/zinc/94/92/74/1071949274.db2.gz GEWWVNVIACCBHZ-HAHDFKILSA-N 0 0 585.432 6.060 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409050389 1071958378 /nfs/dbraw/zinc/95/83/78/1071958378.db2.gz VGNBFCPXRMICSR-IWIPYMOSSA-N 0 0 599.459 6.369 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCOc1ccccc1 ZINC000409050840 1071956246 /nfs/dbraw/zinc/95/62/46/1071956246.db2.gz AZNNHYRYUJYVKD-HMAPJEAMSA-N 0 0 728.302 6.498 40 5 KKBBRN Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000409057972 1071990158 /nfs/dbraw/zinc/99/01/58/1071990158.db2.gz XDQZAEWJXXJGPU-SFHVURJKSA-N 0 0 521.639 6.386 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl ZINC000409061662 1072028317 /nfs/dbraw/zinc/02/83/17/1072028317.db2.gz ZGPXYXNJPAAJGF-MTJSOVHGSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 ZINC000409076379 1072052691 /nfs/dbraw/zinc/05/26/91/1072052691.db2.gz AAGXSWVNEIKCQM-MOSHPQCFSA-N 0 0 500.349 5.162 40 5 KKBBRN CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409072884 1072080317 /nfs/dbraw/zinc/08/03/17/1072080317.db2.gz FCVWIDKGKMKXKE-CXUHLZMHSA-N 0 0 636.205 5.439 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071151 1072092144 /nfs/dbraw/zinc/09/21/44/1072092144.db2.gz FFHANPNDXAAXCB-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN O=C1NC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409068501 1072111814 /nfs/dbraw/zinc/11/18/14/1072111814.db2.gz AVNJMPHBZGTBMD-VCHYOVAHSA-N 0 0 503.820 6.157 40 5 KKBBRN COC(=O)C(=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000409080489 1072123782 /nfs/dbraw/zinc/12/37/82/1072123782.db2.gz IECAFULLFBDOSF-UHFFFAOYSA-N 0 0 583.107 5.660 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409086129 1072170418 /nfs/dbraw/zinc/17/04/18/1072170418.db2.gz YPKVJXSICIXYPH-JRXNCPAPSA-N 0 0 582.059 5.104 40 5 KKBBRN CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085969 1072171442 /nfs/dbraw/zinc/17/14/42/1072171442.db2.gz PIPAVNDZFYSQNG-UHFFFAOYSA-N 0 0 548.264 5.297 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409085271 1072180479 /nfs/dbraw/zinc/18/04/79/1072180479.db2.gz OAPPWZQCRLZZFZ-GEYGMGCISA-N 0 0 789.648 6.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409083791 1072196443 /nfs/dbraw/zinc/19/64/43/1072196443.db2.gz OPTGEIAFYIHCHO-GSTVVXAASA-N 0 0 775.621 6.442 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096292 1072234316 /nfs/dbraw/zinc/23/43/16/1072234316.db2.gz DCVXIRREWCTYNF-XLHJEKARSA-N 0 0 696.811 5.129 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409095900 1072237255 /nfs/dbraw/zinc/23/72/55/1072237255.db2.gz BQWNBUFJUIGJGW-ZDZYTSRMSA-N 0 0 682.180 5.104 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095305 1072240535 /nfs/dbraw/zinc/24/05/35/1072240535.db2.gz HKXBJNDEAMJAMF-NPHLBUJTSA-N 0 0 686.171 5.452 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409093203 1072256994 /nfs/dbraw/zinc/25/69/94/1072256994.db2.gz YBEGNIKXLSZXNU-NNAGEYCMSA-N 0 0 592.633 5.051 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092763 1072261190 /nfs/dbraw/zinc/26/11/90/1072261190.db2.gz WLFCPUWRQOVUHR-CCVBWGSMSA-N 0 0 668.522 5.136 40 5 KKBBRN COC(=O)C(=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)OC ZINC000409092240 1072263568 /nfs/dbraw/zinc/26/35/68/1072263568.db2.gz UIVRBTWLZTUYKN-UHFFFAOYSA-N 0 0 583.107 5.660 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091168 1072272800 /nfs/dbraw/zinc/27/28/00/1072272800.db2.gz PXJVCDBNQVPMJI-ZCWBPALNSA-N 0 0 698.548 5.145 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000409089931 1072285820 /nfs/dbraw/zinc/28/58/20/1072285820.db2.gz PGGXULWIRQQFMV-UHFFFAOYSA-N 0 0 511.312 7.319 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409101983 1072310265 /nfs/dbraw/zinc/31/02/65/1072310265.db2.gz XJVALCIWVYCZNY-MFKUBSTISA-N 0 0 656.511 6.409 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409101413 1072314474 /nfs/dbraw/zinc/31/44/74/1072314474.db2.gz XPDYIULRJYGDMZ-HMXFMCBNSA-N 0 0 667.794 5.507 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409099740 1072324444 /nfs/dbraw/zinc/32/44/44/1072324444.db2.gz TVMZLLCKTZAQGY-CVKSISIWSA-N 0 0 556.600 5.672 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409099734 1072324511 /nfs/dbraw/zinc/32/45/11/1072324511.db2.gz SJOBTDVMHWKAGC-KMYVYOQISA-N 0 0 695.779 5.198 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000409100380 1072320093 /nfs/dbraw/zinc/32/00/93/1072320093.db2.gz VMMVWHPFFXJXLH-WSDLNYQXSA-N 0 0 738.276 5.223 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409099070 1072327327 /nfs/dbraw/zinc/32/73/27/1072327327.db2.gz PWYQZWJBQLBTSU-GIJQJNRQSA-N 0 0 614.268 5.687 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409099099 1072327820 /nfs/dbraw/zinc/32/78/20/1072327820.db2.gz QDJBSXLZGZXMIC-AFUMVMLFSA-N 0 0 563.588 5.256 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409098780 1072328924 /nfs/dbraw/zinc/32/89/24/1072328924.db2.gz PIHVPNGCMNXRRU-DFXMODJXSA-N 0 0 636.730 5.742 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409097434 1072338259 /nfs/dbraw/zinc/33/82/59/1072338259.db2.gz IKPLKQGTCIQRPZ-DAIZXWHWSA-N 0 0 664.809 6.325 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)cc3s2)c([N+](=O)[O-])c1 ZINC000409335302 1072339334 /nfs/dbraw/zinc/33/93/34/1072339334.db2.gz LNZXNWXXMXEVGP-UHFFFAOYSA-N 0 0 742.842 7.085 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107001 1072340111 /nfs/dbraw/zinc/34/01/11/1072340111.db2.gz OBZIONXBDBRGSZ-DTDQMKFYSA-N 0 0 636.730 5.742 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409106975 1072340134 /nfs/dbraw/zinc/34/01/34/1072340134.db2.gz PJMATWXHNORPES-GIJQJNRQSA-N 0 0 708.268 5.371 40 5 KKBBRN CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccc(OC)cc5[N+](=O)[O-])sc4c3)sc2c1 ZINC000409335195 1072340798 /nfs/dbraw/zinc/34/07/98/1072340798.db2.gz KFNHSNZLAYIZNR-UHFFFAOYSA-N 0 0 641.778 6.683 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409106827 1072341224 /nfs/dbraw/zinc/34/12/24/1072341224.db2.gz OQLJHCYYXBMDCP-ZIRCPPMYSA-N 0 0 614.749 5.172 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409105202 1072350713 /nfs/dbraw/zinc/35/07/13/1072350713.db2.gz HLXAWOMTADTTTJ-JLHDDXNDSA-N 0 0 691.604 5.362 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409105205 1072350810 /nfs/dbraw/zinc/35/08/10/1072350810.db2.gz HLXAWOMTADTTTJ-PYCBVSLESA-N 0 0 691.604 5.362 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104744 1072353090 /nfs/dbraw/zinc/35/30/90/1072353090.db2.gz HVBPVPKGOYLYLT-SVXDAGRPSA-N 0 0 622.703 5.434 40 5 KKBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21 ZINC000409333236 1072354303 /nfs/dbraw/zinc/35/43/03/1072354303.db2.gz IMNVOJOQFHQEQL-XPNIBREUSA-N 0 0 514.921 5.078 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409104506 1072354406 /nfs/dbraw/zinc/35/44/06/1072354406.db2.gz ZZIRSRIDLUVUSV-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104366 1072355196 /nfs/dbraw/zinc/35/51/96/1072355196.db2.gz YHUODQBRXLGLMW-RGDUZTMSSA-N 0 0 659.790 5.565 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409102635 1072365198 /nfs/dbraw/zinc/36/51/98/1072365198.db2.gz BOGAQVLBXVQWOJ-BFOKUZPWSA-N 0 0 667.769 5.590 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103461 1072360042 /nfs/dbraw/zinc/36/00/42/1072360042.db2.gz WOWMZFPOFLKZNS-DAIZXWHWSA-N 0 0 664.809 6.325 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409103539 1072360441 /nfs/dbraw/zinc/36/04/41/1072360441.db2.gz CGTFTNKMZWTWHT-KEBDBYFISA-N 0 0 605.772 5.538 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409332270 1072362477 /nfs/dbraw/zinc/36/24/77/1072362477.db2.gz HISMZPBGPLGCJO-QUNTYYFUSA-N 0 0 675.075 6.097 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409102837 1072364728 /nfs/dbraw/zinc/36/47/28/1072364728.db2.gz WFGJQJTYLPZSQZ-NNAGEYCMSA-N 0 0 617.127 5.244 40 5 KKBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 ZINC000409331916 1072367060 /nfs/dbraw/zinc/36/70/60/1072367060.db2.gz FJDIZJYCLMVPAI-GOSISDBHSA-N 0 0 523.666 5.157 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107320 1072367302 /nfs/dbraw/zinc/36/73/02/1072367302.db2.gz QWRCICHWZUGTCW-OXDPQRGISA-N 0 0 657.148 6.087 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)o1 ZINC000409331488 1072368394 /nfs/dbraw/zinc/36/83/94/1072368394.db2.gz NIYSILHRZPKXNO-YDZHTSKRSA-N 0 0 521.551 5.662 40 5 KKBBRN CCc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409115476 1072368820 /nfs/dbraw/zinc/36/88/20/1072368820.db2.gz JHBMXEWBBVNMQU-UHFFFAOYSA-N 0 0 520.221 6.873 40 5 KKBBRN Cc1c(Cl)cccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116299 1072373619 /nfs/dbraw/zinc/37/36/19/1072373619.db2.gz NHJYRMVLXPCFIE-UHFFFAOYSA-N 0 0 540.639 7.273 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 ZINC000409116005 1072375181 /nfs/dbraw/zinc/37/51/81/1072375181.db2.gz LDLMSHBBZZHKMX-UUWRZZSWSA-N 0 0 555.634 7.535 40 5 KKBBRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115701 1072376003 /nfs/dbraw/zinc/37/60/03/1072376003.db2.gz SYZARFVJRWOUFK-UHFFFAOYSA-N 0 0 549.421 7.739 40 5 KKBBRN CC(C)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409113441 1072385197 /nfs/dbraw/zinc/38/51/97/1072385197.db2.gz AVUZWNYJIKUGGR-HKBQPEDESA-N 0 0 521.617 6.991 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409113062 1072387574 /nfs/dbraw/zinc/38/75/74/1072387574.db2.gz DJKIFEOPEVHBMS-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1Br ZINC000409328284 1072393310 /nfs/dbraw/zinc/39/33/10/1072393310.db2.gz RGDQTMDGFKQXTL-VXLYETTFSA-N 0 0 607.236 6.055 40 5 KKBBRN CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409110836 1072394856 /nfs/dbraw/zinc/39/48/56/1072394856.db2.gz AJSDBDUOSLGNIR-PSXMRANNSA-N 0 0 668.577 9.241 40 5 KKBBRN CCOc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409109859 1072397503 /nfs/dbraw/zinc/39/75/03/1072397503.db2.gz MWBWKHBYFPDXQO-UHFFFAOYSA-N 0 0 536.220 6.710 40 5 KKBBRN CC(C)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000409109529 1072399921 /nfs/dbraw/zinc/39/99/21/1072399921.db2.gz GSSUEUVINQCXMU-UCQKPKSFSA-N 0 0 507.384 6.480 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409109003 1072401965 /nfs/dbraw/zinc/40/19/65/1072401965.db2.gz ZJWBTNXSWUSETJ-ZUXOAJPSSA-N 0 0 665.753 5.184 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409108715 1072404686 /nfs/dbraw/zinc/40/46/86/1072404686.db2.gz XGUCEUQIDHWRPB-PSAPEEBNSA-N 0 0 640.693 5.573 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409108296 1072408055 /nfs/dbraw/zinc/40/80/55/1072408055.db2.gz ZPXZWWOEPJQJHU-YDZHTSKRSA-N 0 0 564.982 5.066 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NC1CCCCC1 ZINC000409123401 1072416358 /nfs/dbraw/zinc/41/63/58/1072416358.db2.gz GDDBCBHBEFQEFN-PGUFJCEWSA-N 0 0 604.707 6.784 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409122919 1072418999 /nfs/dbraw/zinc/41/89/99/1072418999.db2.gz CLFQVBYPKNHKPZ-LPYMAVHISA-N 0 0 531.428 6.553 40 5 KKBBRN CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122567 1072420564 /nfs/dbraw/zinc/42/05/64/1072420564.db2.gz ZQXGTYPYURZDGH-UHFFFAOYSA-N 0 0 552.796 6.751 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 ZINC000409122384 1072423116 /nfs/dbraw/zinc/42/31/16/1072423116.db2.gz XMWBXWUGKDYVRC-NDENLUEZSA-N 0 0 666.253 6.680 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 ZINC000409120960 1072428187 /nfs/dbraw/zinc/42/81/87/1072428187.db2.gz XJDHLSCTJUPFRY-NDENLUEZSA-N 0 0 666.253 6.680 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)O1 ZINC000409120277 1072431123 /nfs/dbraw/zinc/43/11/23/1072431123.db2.gz SVVLFCYTYQQQIE-XMMPIXPASA-N 0 0 534.952 5.893 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409119715 1072434612 /nfs/dbraw/zinc/43/46/12/1072434612.db2.gz UBCPPKVNYMJGJK-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409343674 1072439072 /nfs/dbraw/zinc/43/90/72/1072439072.db2.gz FTGQFRRVVSNXIE-SRZZPIQSSA-N 0 0 556.394 5.909 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409343268 1072443143 /nfs/dbraw/zinc/44/31/43/1072443143.db2.gz DSCUDSQWQHGVFD-HXUWFJFHSA-N 0 0 585.901 6.024 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409117910 1072443187 /nfs/dbraw/zinc/44/31/87/1072443187.db2.gz YCGIUZPKFSWROV-PGUFJCEWSA-N 0 0 733.446 9.613 40 5 KKBBRN COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409126414 1072452541 /nfs/dbraw/zinc/45/25/41/1072452541.db2.gz FVAQOZUTZZRADU-LICLKQGHSA-N 0 0 666.231 5.066 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000409125934 1072456034 /nfs/dbraw/zinc/45/60/34/1072456034.db2.gz GFKNAKLAFRMLAJ-TURZUDJPSA-N 0 0 524.598 6.996 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409340307 1072467913 /nfs/dbraw/zinc/46/79/13/1072467913.db2.gz UUEJIFMESRQZRN-QFEZKATASA-N 0 0 610.486 6.735 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409135318 1072485607 /nfs/dbraw/zinc/48/56/07/1072485607.db2.gz YICLNAHKRBKSNT-OEAKJJBVSA-N 0 0 622.481 6.794 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409134871 1072488858 /nfs/dbraw/zinc/48/88/58/1072488858.db2.gz OPBLKYPPSITPHO-RGVLZGJSSA-N 0 0 537.388 5.018 40 5 KKBBRN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133993 1072495039 /nfs/dbraw/zinc/49/50/39/1072495039.db2.gz RGOABUAXNQNTEK-AREMUKBSSA-N 0 0 570.760 5.919 40 5 KKBBRN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 ZINC000409337368 1072495088 /nfs/dbraw/zinc/49/50/88/1072495088.db2.gz SWWMPDZLIFMKSO-AWEZNQCLSA-N 0 0 548.602 5.523 40 5 KKBBRN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409133996 1072495058 /nfs/dbraw/zinc/49/50/58/1072495058.db2.gz RGOABUAXNQNTEK-SANMLTNESA-N 0 0 570.760 5.919 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409357032 1072497760 /nfs/dbraw/zinc/49/77/60/1072497760.db2.gz IESKSHGQRHAWKE-FQEVSTJZSA-N 0 0 565.483 5.587 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409357107 1072498372 /nfs/dbraw/zinc/49/83/72/1072498372.db2.gz ITVNHPINOPIQJZ-UHFFFAOYSA-N 0 0 516.377 5.421 40 5 KKBBRN COc1cccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1OC ZINC000409133640 1072498871 /nfs/dbraw/zinc/49/88/71/1072498871.db2.gz LYDWMVREBPRXJD-GDLZYMKVSA-N 0 0 509.562 5.973 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CC1CCCCC1 ZINC000409131494 1072508947 /nfs/dbraw/zinc/50/89/47/1072508947.db2.gz YBYBOCUMOZCZGL-CIAFOILYSA-N 0 0 704.324 7.000 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355233 1072511184 /nfs/dbraw/zinc/51/11/84/1072511184.db2.gz JSNBENVQZVOVNL-FHQMNNMHSA-N 0 0 771.484 6.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409354098 1072517996 /nfs/dbraw/zinc/51/79/96/1072517996.db2.gz YBSBGZHDEZLEDF-SOJUGJLBSA-N 0 0 871.491 6.956 40 5 KKBBRN Cc1sc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)nc1-c1ccccc1 ZINC000409129477 1072519577 /nfs/dbraw/zinc/51/95/77/1072519577.db2.gz GRTGRAYMCZJUPV-OAQYLSRUSA-N 0 0 565.681 5.013 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409352415 1072528281 /nfs/dbraw/zinc/52/82/81/1072528281.db2.gz CHMQWNFFSOGFAO-ZWTBYVTRSA-N 0 0 900.327 6.566 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409144655 1072532956 /nfs/dbraw/zinc/53/29/56/1072532956.db2.gz YVZLSPHEEFTEGV-ZJTZAHLKSA-N 0 0 680.208 5.707 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409144325 1072534947 /nfs/dbraw/zinc/53/49/47/1072534947.db2.gz JIUMONGTIFNBAS-SAGCDJCOSA-N 0 0 676.824 6.464 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409143797 1072538936 /nfs/dbraw/zinc/53/89/36/1072538936.db2.gz JFCSMXDEDSLVBQ-UAMLYEQYSA-N 0 0 664.769 5.349 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409350903 1072538980 /nfs/dbraw/zinc/53/89/80/1072538980.db2.gz WEWLPLCEOVZYJH-LCQSEVKBSA-N 0 0 604.084 5.247 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409143149 1072542144 /nfs/dbraw/zinc/54/21/44/1072542144.db2.gz VCUOMXWIKMYNHR-QPJBPQEWSA-N 0 0 640.772 5.402 40 5 KKBBRN CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1OCC ZINC000409142279 1072548229 /nfs/dbraw/zinc/54/82/29/1072548229.db2.gz XOUWWPWDQZUMLX-WJOKGBTCSA-N 0 0 537.616 6.754 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349170 1072551171 /nfs/dbraw/zinc/55/11/71/1072551171.db2.gz RPMFZIXKBCVMQA-WQNUKSJVSA-N 0 0 757.457 6.128 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4cccc5ccccc54)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141313 1072554090 /nfs/dbraw/zinc/55/40/90/1072554090.db2.gz NCCAETAPTWRSED-DXUGRCAZSA-N 0 0 619.699 5.747 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409139960 1072561449 /nfs/dbraw/zinc/56/14/49/1072561449.db2.gz GTFMPMZQYNXWJX-DTDQMKFYSA-N 0 0 695.823 6.207 40 5 KKBBRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC000409140029 1072561830 /nfs/dbraw/zinc/56/18/30/1072561830.db2.gz CXFNYNVOGVWYAC-LJAQVGFWSA-N 0 0 509.562 5.973 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409139339 1072566196 /nfs/dbraw/zinc/56/61/96/1072566196.db2.gz CWSKBDXWFKEVGR-BFOKUZPWSA-N 0 0 649.754 5.402 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409365301 1072579770 /nfs/dbraw/zinc/57/97/70/1072579770.db2.gz XUXIKPRCKXEBFL-IPAKXIGBSA-N 0 0 678.561 5.365 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146081 1072583343 /nfs/dbraw/zinc/58/33/43/1072583343.db2.gz RCSVRUYPSPIUJI-WQNUKSJVSA-N 0 0 693.532 5.265 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409146190 1072584002 /nfs/dbraw/zinc/58/40/02/1072584002.db2.gz SAHLSVLFFNZLME-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409364222 1072585517 /nfs/dbraw/zinc/58/55/17/1072585517.db2.gz WDRLZFWMBXJUMN-FHQMNNMHSA-N 0 0 774.033 6.251 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409156737 1072593497 /nfs/dbraw/zinc/59/34/97/1072593497.db2.gz OHMUFVMDKYGRRP-RGVLZGJSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409156179 1072596048 /nfs/dbraw/zinc/59/60/48/1072596048.db2.gz SWRAOHUSSRRSEW-WYMPLXKRSA-N 0 0 671.040 6.199 40 5 KKBBRN CCCOc1ccc(Cl)cc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409155882 1072597080 /nfs/dbraw/zinc/59/70/80/1072597080.db2.gz DUIIMSNSQFYWBR-FQKMCRJQSA-N 0 0 608.072 5.327 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409155366 1072600469 /nfs/dbraw/zinc/60/04/69/1072600469.db2.gz PPXDIZKMEPNXMV-AFUMVMLFSA-N 0 0 640.512 6.627 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409154135 1072607768 /nfs/dbraw/zinc/60/77/68/1072607768.db2.gz FXPOFNYXZIRTCC-WSDLNYQXSA-N 0 0 534.550 5.083 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409153876 1072609252 /nfs/dbraw/zinc/60/92/52/1072609252.db2.gz IYFGAKSDZCXAIV-ZMOGYAJESA-N 0 0 578.559 5.677 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409358958 1072615777 /nfs/dbraw/zinc/61/57/77/1072615777.db2.gz MEXNTKYYIRZPEO-JYNXQWRTSA-N 0 0 794.451 6.514 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409358899 1072617248 /nfs/dbraw/zinc/61/72/48/1072617248.db2.gz MMZRUXLVCFFHAM-KAEGSSFASA-N 0 0 627.122 5.671 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409151647 1072622465 /nfs/dbraw/zinc/62/24/65/1072622465.db2.gz HOJLMJWCKKHESJ-LSHDLFTRSA-N 0 0 607.950 6.743 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409150538 1072628960 /nfs/dbraw/zinc/62/89/60/1072628960.db2.gz CETPRIKEZXEUML-FMCGGJTJSA-N 0 0 662.496 5.117 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409374302 1072638210 /nfs/dbraw/zinc/63/82/10/1072638210.db2.gz LXLCZRXEWNQKDW-DHRITJCHSA-N 0 0 629.613 7.405 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409374393 1072638633 /nfs/dbraw/zinc/63/86/33/1072638633.db2.gz OLBYKTDINHVNDI-OYKKKHCWSA-N 0 0 547.658 6.655 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)cc1 ZINC000409372888 1072643995 /nfs/dbraw/zinc/64/39/95/1072643995.db2.gz PNWNOEZSCXUJHQ-UHFFFAOYSA-N 0 0 605.352 6.192 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409165561 1072654533 /nfs/dbraw/zinc/65/45/33/1072654533.db2.gz ZNFAIASSPBPUBZ-WSDLNYQXSA-N 0 0 505.552 5.763 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409165014 1072656884 /nfs/dbraw/zinc/65/68/84/1072656884.db2.gz QYYZHTLDNDRFDI-CIAFOILYSA-N 0 0 509.565 5.560 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164894 1072657860 /nfs/dbraw/zinc/65/78/60/1072657860.db2.gz PFWWXTXNMJEXGU-SSDVNMTOSA-N 0 0 584.950 5.632 40 5 KKBBRN CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OC ZINC000409164715 1072658426 /nfs/dbraw/zinc/65/84/26/1072658426.db2.gz MRTOVBHDWXSUHM-JLHDDXNDSA-N 0 0 631.707 5.462 40 5 KKBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409164271 1072660646 /nfs/dbraw/zinc/66/06/46/1072660646.db2.gz FWSJKCPIKHRHDL-GOQPZEPVSA-N 0 0 679.751 6.210 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1 ZINC000409163988 1072662100 /nfs/dbraw/zinc/66/21/00/1072662100.db2.gz AXZWLGBRPRZBEU-NRFANRHFSA-N 0 0 551.654 5.003 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409163017 1072666017 /nfs/dbraw/zinc/66/60/17/1072666017.db2.gz KTBBIIMDDGKETL-NHDPSOOVSA-N 0 0 560.440 6.728 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409378728 1072674579 /nfs/dbraw/zinc/67/45/79/1072674579.db2.gz QWMBDBZZTVPVMZ-VYYCAZPPSA-N 0 0 652.523 5.956 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409161782 1072675264 /nfs/dbraw/zinc/67/52/64/1072675264.db2.gz AYCSMNFJWFLQAI-AFUMVMLFSA-N 0 0 579.656 5.969 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)cc1 ZINC000409161408 1072676749 /nfs/dbraw/zinc/67/67/49/1072676749.db2.gz USGWFOIPDPDIQM-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409161442 1072677228 /nfs/dbraw/zinc/67/72/28/1072677228.db2.gz XHVWNYRJOKBZHD-FBHDLOMBSA-N 0 0 503.363 7.015 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409377790 1072678532 /nfs/dbraw/zinc/67/85/32/1072678532.db2.gz KUFPXMGQYVVOIQ-QRVIBDJDSA-N 0 0 604.479 5.384 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409161158 1072678828 /nfs/dbraw/zinc/67/88/28/1072678828.db2.gz WYWHEFCRXOHMHR-NRFANRHFSA-N 0 0 565.483 5.679 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)o1 ZINC000409387019 1072682939 /nfs/dbraw/zinc/68/29/39/1072682939.db2.gz SMOQQHHUPZCBKL-AFUMVMLFSA-N 0 0 544.541 5.943 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409159862 1072686047 /nfs/dbraw/zinc/68/60/47/1072686047.db2.gz ARXUDSPHPREINB-INJWXVQMSA-N 0 0 638.529 5.901 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409384943 1072695282 /nfs/dbraw/zinc/69/52/82/1072695282.db2.gz GXMJVEJEOZPRAE-WSDLNYQXSA-N 0 0 617.430 5.951 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCc2ccccc2C1 ZINC000409384670 1072696997 /nfs/dbraw/zinc/69/69/97/1072696997.db2.gz DOKBXIVORYWTNW-CFRMEGHHSA-N 0 0 598.464 6.102 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 ZINC000409157518 1072698663 /nfs/dbraw/zinc/69/86/63/1072698663.db2.gz VUPQJGNACJYXPL-SSDVNMTOSA-N 0 0 589.573 6.803 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl ZINC000409167248 1072700251 /nfs/dbraw/zinc/70/02/51/1072700251.db2.gz HVPCOXQWYYPVNB-VULFUBBASA-N 0 0 640.070 6.078 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409166842 1072702014 /nfs/dbraw/zinc/70/20/14/1072702014.db2.gz GURLUQRAOCSAKB-SRZZPIQSSA-N 0 0 554.924 5.624 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc(Cl)c1 ZINC000409166561 1072703229 /nfs/dbraw/zinc/70/32/29/1072703229.db2.gz DBKTXPTWLCUGIM-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 ZINC000409166358 1072703749 /nfs/dbraw/zinc/70/37/49/1072703749.db2.gz DKENLHOBSVMLJK-UFFVCSGVSA-N 0 0 656.820 7.497 40 5 KKBBRN COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000409176863 1072706766 /nfs/dbraw/zinc/70/67/66/1072706766.db2.gz ZMZJYWRJTAKYKT-MHZLTWQESA-N 0 0 531.542 5.217 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCCCC1 ZINC000409381570 1072710240 /nfs/dbraw/zinc/71/02/40/1072710240.db2.gz GXDVKVSNIGRXQS-NDENLUEZSA-N 0 0 550.420 5.529 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Br)cc1 ZINC000409175480 1072716513 /nfs/dbraw/zinc/71/65/13/1072716513.db2.gz RSQMPRQNDLILJN-CFRMEGHHSA-N 0 0 591.443 6.035 40 5 KKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409175289 1072716931 /nfs/dbraw/zinc/71/69/31/1072716931.db2.gz YXPHCCAPTUNBLT-XMMPIXPASA-N 0 0 534.874 6.153 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409380431 1072717732 /nfs/dbraw/zinc/71/77/32/1072717732.db2.gz MXTBQMFMATVCAN-HMAPJEAMSA-N 0 0 604.479 5.384 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 ZINC000409174747 1072720480 /nfs/dbraw/zinc/72/04/80/1072720480.db2.gz UODWCSGBRHJMEF-LPYMAVHISA-N 0 0 507.524 5.101 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl ZINC000409174630 1072721221 /nfs/dbraw/zinc/72/12/21/1072721221.db2.gz VWQCZBUCECDTPC-CVKSISIWSA-N 0 0 624.071 6.459 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174133 1072723435 /nfs/dbraw/zinc/72/34/35/1072723435.db2.gz SEYWYBCXNKSUCK-UHFFFAOYSA-N 0 0 615.108 5.462 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409173544 1072726344 /nfs/dbraw/zinc/72/63/44/1072726344.db2.gz JPLLJCQIAVWGKQ-SSDVNMTOSA-N 0 0 591.495 6.229 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409173222 1072728138 /nfs/dbraw/zinc/72/81/38/1072728138.db2.gz HSGZGDQSLJMEBZ-FMCGGJTJSA-N 0 0 614.499 6.333 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409173238 1072728195 /nfs/dbraw/zinc/72/81/95/1072728195.db2.gz HUBRTRIBKLTZDO-RGVLZGJSSA-N 0 0 542.367 5.601 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409172661 1072731512 /nfs/dbraw/zinc/73/15/12/1072731512.db2.gz FFRYYTWODXEQOZ-FSJBWODESA-N 0 0 666.428 7.242 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172756 1072732522 /nfs/dbraw/zinc/73/25/22/1072732522.db2.gz IEOXAXFPDWNMJV-UHFFFAOYSA-N 0 0 578.112 5.119 40 5 KKBBRN O=C1NC(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409172527 1072732671 /nfs/dbraw/zinc/73/26/71/1072732671.db2.gz JWLVRGRNKHDVEN-UDWIEESQSA-N 0 0 528.746 5.687 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172210 1072734458 /nfs/dbraw/zinc/73/44/58/1072734458.db2.gz DDALLOSIWYJPBU-UHFFFAOYSA-N 0 0 714.005 6.507 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409387898 1072740887 /nfs/dbraw/zinc/74/08/87/1072740887.db2.gz YDGOISXALWZTSP-SRZZPIQSSA-N 0 0 650.403 5.403 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1 ZINC000409387885 1072740894 /nfs/dbraw/zinc/74/08/94/1072740894.db2.gz XWEMXZODPMEDHS-FSJBWODESA-N 0 0 517.519 5.214 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 ZINC000409170158 1072746135 /nfs/dbraw/zinc/74/61/35/1072746135.db2.gz UBDGJPRWNIETAU-UFFVCSGVSA-N 0 0 701.271 7.606 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409170175 1072746179 /nfs/dbraw/zinc/74/61/79/1072746179.db2.gz UMBOUFRPOQHARD-FOKLQQMPSA-N 0 0 649.987 6.911 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409169659 1072749347 /nfs/dbraw/zinc/74/93/47/1072749347.db2.gz QTSIQIBBEMOESY-FOKLQQMPSA-N 0 0 626.987 5.800 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398343 1072752986 /nfs/dbraw/zinc/75/29/86/1072752986.db2.gz DALSJQOVOKIPDQ-NVMNQCDNSA-N 0 0 635.221 5.171 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl ZINC000409168191 1072756258 /nfs/dbraw/zinc/75/62/58/1072756258.db2.gz LALZCZRVVDGILD-RPPGKUMJSA-N 0 0 718.966 6.840 40 5 KKBBRN O=C1NC(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409167756 1072758837 /nfs/dbraw/zinc/75/88/37/1072758837.db2.gz MRKPRWYFNOJUBH-UDWIEESQSA-N 0 0 528.746 5.687 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409167616 1072759355 /nfs/dbraw/zinc/75/93/55/1072759355.db2.gz JJFCTVYPEZXWRA-YDZHTSKRSA-N 0 0 598.431 5.620 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000409402122 1072778406 /nfs/dbraw/zinc/77/84/06/1072778406.db2.gz VITGIBUFJRTSCT-OCKHKDLRSA-N 0 0 590.372 5.352 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 ZINC000409401972 1072779406 /nfs/dbraw/zinc/77/94/06/1072779406.db2.gz URXGHAMNJBRPMD-NVMNQCDNSA-N 0 0 635.221 5.171 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000409183430 1072784462 /nfs/dbraw/zinc/78/44/62/1072784462.db2.gz RXNUGJBSODLYBF-BUVRLJJBSA-N 0 0 517.563 5.411 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 ZINC000409412628 1072787029 /nfs/dbraw/zinc/78/70/29/1072787029.db2.gz YUEPUEYXTPQGDO-UHFFFAOYSA-N 0 0 540.399 5.350 40 5 KKBBRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000409412463 1072787644 /nfs/dbraw/zinc/78/76/44/1072787644.db2.gz MIZYGDFTECBGPE-UHFFFAOYSA-N 0 0 544.362 5.181 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409412220 1072788285 /nfs/dbraw/zinc/78/82/85/1072788285.db2.gz UFYXCHGDSZMVQE-UHFFFAOYSA-N 0 0 540.399 5.350 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000409182541 1072790103 /nfs/dbraw/zinc/79/01/03/1072790103.db2.gz MJKYGUSLYVUOBG-HHHXNRCGSA-N 0 0 570.941 5.838 40 5 KKBBRN CCc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 ZINC000409182012 1072793795 /nfs/dbraw/zinc/79/37/95/1072793795.db2.gz HVYBWSQALJWFTN-UHFFFAOYSA-N 0 0 504.542 7.522 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 ZINC000409181508 1072797895 /nfs/dbraw/zinc/79/78/95/1072797895.db2.gz CFFSYYSVHPODTG-MHZLTWQESA-N 0 0 520.497 5.485 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000409181083 1072800556 /nfs/dbraw/zinc/80/05/56/1072800556.db2.gz VSHAASJPODPVME-AREMUKBSSA-N 0 0 575.360 6.483 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180922 1072801159 /nfs/dbraw/zinc/80/11/59/1072801159.db2.gz ZEIZKQPUHFXOFF-AREMUKBSSA-N 0 0 535.961 5.862 40 5 KKBBRN O=C(CCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409180945 1072801645 /nfs/dbraw/zinc/80/16/45/1072801645.db2.gz ZKRGWNSXHACXIK-UHFFFAOYSA-N 0 0 585.318 6.858 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180589 1072803140 /nfs/dbraw/zinc/80/31/40/1072803140.db2.gz XOJCNKSCTYSHQO-OAQYLSRUSA-N 0 0 637.114 5.890 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409180346 1072805354 /nfs/dbraw/zinc/80/53/54/1072805354.db2.gz WOUZPPMROSGNEU-UHFFFAOYSA-N 0 0 544.519 6.698 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409179048 1072813628 /nfs/dbraw/zinc/81/36/28/1072813628.db2.gz MQOASEUJWDBDNP-VWLOTQADSA-N 0 0 532.892 6.730 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409178366 1072816728 /nfs/dbraw/zinc/81/67/28/1072816728.db2.gz LHHGEIIAUSRZNT-FSJBWODESA-N 0 0 505.552 5.763 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178443 1072817301 /nfs/dbraw/zinc/81/73/01/1072817301.db2.gz IFSMDAPKVQBNKV-XDYZZPCYSA-N 0 0 728.621 6.518 40 5 KKBBRN CCc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 ZINC000409178324 1072818378 /nfs/dbraw/zinc/81/83/78/1072818378.db2.gz MGLHCKIUTFIZJI-UHFFFAOYSA-N 0 0 504.542 7.522 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409177888 1072821328 /nfs/dbraw/zinc/82/13/28/1072821328.db2.gz CPAMUBFCVDCQCD-MHZLTWQESA-N 0 0 581.493 5.093 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409177638 1072821946 /nfs/dbraw/zinc/82/19/46/1072821946.db2.gz BHCCOPLYHYARMK-LPYMAVHISA-N 0 0 507.524 5.101 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc1)C2=O ZINC000409177543 1072822495 /nfs/dbraw/zinc/82/24/95/1072822495.db2.gz BUECZCHMKNKYQG-UHFFFAOYSA-N 0 0 559.534 6.401 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409196338 1072832169 /nfs/dbraw/zinc/83/21/69/1072832169.db2.gz ZDLSDWCBZODRER-SSDVNMTOSA-N 0 0 575.824 6.839 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409196196 1072832656 /nfs/dbraw/zinc/83/26/56/1072832656.db2.gz NUXGWEUSXLQEBF-SRZZPIQSSA-N 0 0 555.952 5.278 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409196256 1072833093 /nfs/dbraw/zinc/83/30/93/1072833093.db2.gz YBMHLGYXSLHODU-MTJSOVHGSA-N 0 0 660.271 6.481 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409194699 1072841174 /nfs/dbraw/zinc/84/11/74/1072841174.db2.gz QJDBBBIBZBRZGF-ZCWBPALNSA-N 0 0 753.646 5.967 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409194221 1072846064 /nfs/dbraw/zinc/84/60/64/1072846064.db2.gz PFNSYMYZXXSXRN-CIAFOILYSA-N 0 0 545.798 6.831 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409194041 1072846643 /nfs/dbraw/zinc/84/66/43/1072846643.db2.gz MRPLPEGXWPUXIM-XGLZOBASSA-N 0 0 723.620 5.958 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409193831 1072847426 /nfs/dbraw/zinc/84/74/26/1072847426.db2.gz FQAGSGWEWISOGL-UHFFFAOYSA-N 0 0 522.193 6.320 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409193724 1072848532 /nfs/dbraw/zinc/84/85/32/1072848532.db2.gz LRVRWOMYXCTNHL-CIAFOILYSA-N 0 0 545.798 6.831 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409193135 1072851264 /nfs/dbraw/zinc/85/12/64/1072851264.db2.gz CGFHMMBTHYUDDI-XYGWBWBKSA-N 0 0 611.101 5.911 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409193173 1072851789 /nfs/dbraw/zinc/85/17/89/1072851789.db2.gz DLZAJKXFJYNZTD-VIYYDIFJSA-N 0 0 737.647 6.347 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192873 1072853499 /nfs/dbraw/zinc/85/34/99/1072853499.db2.gz FMOQOEZAYQWBNU-HRIDGTDGSA-N 0 0 735.675 6.831 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409192705 1072854225 /nfs/dbraw/zinc/85/42/25/1072854225.db2.gz ZHHBIUPJVATLDC-JKYQMCTKSA-N 0 0 588.197 6.627 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409192618 1072855771 /nfs/dbraw/zinc/85/57/71/1072855771.db2.gz FLZYEXSRRWEXEN-GRSHGNNSSA-N 0 0 606.610 6.337 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000409192251 1072856406 /nfs/dbraw/zinc/85/64/06/1072856406.db2.gz BXFLYVDHQVNKEP-ORAUUZGKSA-N 0 0 632.648 6.737 40 5 KKBBRN COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000409191764 1072859149 /nfs/dbraw/zinc/85/91/49/1072859149.db2.gz MQJCHRNIZMLCDO-IVEZPLFTSA-N 0 0 628.229 6.092 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409191173 1072865745 /nfs/dbraw/zinc/86/57/45/1072865745.db2.gz UEVZITAGHIHVFK-FSJBWODESA-N 0 0 589.851 7.229 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409190600 1072867751 /nfs/dbraw/zinc/86/77/51/1072867751.db2.gz ZZAWDOGWTQAIPE-FUUQXKQNSA-N 0 0 518.909 5.610 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)nnc1-c1cccc(Cl)c1 ZINC000409190349 1072869909 /nfs/dbraw/zinc/86/99/09/1072869909.db2.gz XKDLVJNKNDJAJE-HYARGMPZSA-N 0 0 561.048 5.448 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409190226 1072871423 /nfs/dbraw/zinc/87/14/23/1072871423.db2.gz MQRFEFIDOXCEGX-GSFJQCGGSA-N 0 0 779.300 6.935 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccs1 ZINC000409189892 1072872633 /nfs/dbraw/zinc/87/26/33/1072872633.db2.gz UNTIISAKHFPHFQ-CYGYJLBOSA-N 0 0 755.303 6.988 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409189243 1072878291 /nfs/dbraw/zinc/87/82/91/1072878291.db2.gz NRJYLBLUYJETAE-VEJJZHSVSA-N 0 0 518.909 5.610 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409189014 1072878930 /nfs/dbraw/zinc/87/89/30/1072878930.db2.gz HCYZCDTWCJCGBW-PSAPEEBNSA-N 0 0 755.665 7.087 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409188976 1072880573 /nfs/dbraw/zinc/88/05/73/1072880573.db2.gz LVNIBKIXDHFIQD-BQCQJZCVSA-N 0 0 864.587 7.858 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409188704 1072880676 /nfs/dbraw/zinc/88/06/76/1072880676.db2.gz KGVWDSBIULOMAC-GSFJQCGGSA-N 0 0 795.368 7.649 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188420 1072881976 /nfs/dbraw/zinc/88/19/76/1072881976.db2.gz HLCJZNYHVHMYKJ-RGVLZGJSSA-N 0 0 624.694 7.593 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409188309 1072882392 /nfs/dbraw/zinc/88/23/92/1072882392.db2.gz GGYHICHXKZMMKW-JYNXQWRTSA-N 0 0 783.672 5.975 40 5 KKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Cl)cc1Cl ZINC000409188495 1072882428 /nfs/dbraw/zinc/88/24/28/1072882428.db2.gz CBTBBFJOFSZKMC-UWVJOHFNSA-N 0 0 641.055 6.990 40 5 KKBBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409187787 1072885618 /nfs/dbraw/zinc/88/56/18/1072885618.db2.gz CIPVUZFQZJGIEZ-QVPVGFNESA-N 0 0 772.092 7.000 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000409187785 1072885884 /nfs/dbraw/zinc/88/58/84/1072885884.db2.gz CGEISTGSOVUJNZ-OCKHKDLRSA-N 0 0 662.243 5.709 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409187642 1072886330 /nfs/dbraw/zinc/88/63/30/1072886330.db2.gz AHMATOILQWLUQK-ZVHZXABRSA-N 0 0 503.967 6.801 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409207238 1072886373 /nfs/dbraw/zinc/88/63/73/1072886373.db2.gz UHKIPEWHADTBNM-BHGWPJFGSA-N 0 0 631.541 5.861 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409206671 1072889194 /nfs/dbraw/zinc/88/91/94/1072889194.db2.gz ZVPRHLMDNIQSEC-NDENLUEZSA-N 0 0 504.524 5.074 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409205755 1072896645 /nfs/dbraw/zinc/89/66/45/1072896645.db2.gz SYLBQYYIPYQBNX-BHGWPJFGSA-N 0 0 612.016 5.297 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409205327 1072900008 /nfs/dbraw/zinc/90/00/08/1072900008.db2.gz POWYBLARFPWGNQ-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409204855 1072902367 /nfs/dbraw/zinc/90/23/67/1072902367.db2.gz KNQBZOAMNANAMH-JVWAILMASA-N 0 0 672.638 6.316 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409202478 1072913069 /nfs/dbraw/zinc/91/30/69/1072913069.db2.gz STDUNYHHPXCMJA-YBFXNURJSA-N 0 0 524.473 5.786 40 5 KKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409198446 1072930531 /nfs/dbraw/zinc/93/05/31/1072930531.db2.gz ARTLKJMKQDVGGN-BFNDQCEFSA-N 0 0 603.369 6.546 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Br)cc2)cc1 ZINC000409198201 1072930994 /nfs/dbraw/zinc/93/09/94/1072930994.db2.gz ZPYUTDMTWKVOSS-UHFFFAOYSA-N 0 0 571.063 7.073 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197426 1072936595 /nfs/dbraw/zinc/93/65/95/1072936595.db2.gz FDNKLEKYOPLZFS-OPEKNORGSA-N 0 0 656.467 5.391 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214838 1072951038 /nfs/dbraw/zinc/95/10/38/1072951038.db2.gz ZHBZSQKDBKQORP-SSDVNMTOSA-N 0 0 613.396 5.006 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213168 1072957018 /nfs/dbraw/zinc/95/70/18/1072957018.db2.gz OWQZCDDFZCSKHS-WSDLNYQXSA-N 0 0 589.851 7.229 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409227067 1072971965 /nfs/dbraw/zinc/97/19/65/1072971965.db2.gz XGZFNTJXRJLEAE-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409225980 1072976144 /nfs/dbraw/zinc/97/61/44/1072976144.db2.gz RZGWUAHXGZEUMX-WSDLNYQXSA-N 0 0 535.490 5.223 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409225300 1072979842 /nfs/dbraw/zinc/97/98/42/1072979842.db2.gz OCKZFHRBFDMFAI-RMORIDSASA-N 0 0 614.995 5.088 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 ZINC000409224659 1072982234 /nfs/dbraw/zinc/98/22/34/1072982234.db2.gz MZXIZMVLCIAPGI-QRVIBDJDSA-N 0 0 553.390 5.856 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409223747 1072985957 /nfs/dbraw/zinc/98/59/57/1072985957.db2.gz ITNGGGKELIZDIN-ZMOGYAJESA-N 0 0 504.520 5.102 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409222433 1072992671 /nfs/dbraw/zinc/99/26/71/1072992671.db2.gz XBEQANPLCIDEBQ-WPWMEQJKSA-N 0 0 550.571 5.421 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1cccc(F)c1 ZINC000409221887 1072996474 /nfs/dbraw/zinc/99/64/74/1072996474.db2.gz VOVBGBDZCSVPSZ-UFFVCSGVSA-N 0 0 759.291 6.197 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409221753 1072996919 /nfs/dbraw/zinc/99/69/19/1072996919.db2.gz VAXHXEUISFGQRC-FSJBWODESA-N 0 0 630.448 6.149 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409221592 1072998023 /nfs/dbraw/zinc/99/80/23/1072998023.db2.gz SMKZFIZMNHEDBA-YDZHTSKRSA-N 0 0 645.431 5.462 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409220559 1073003721 /nfs/dbraw/zinc/00/37/21/1073003721.db2.gz BMFGZYLSTLFYSK-SRZZPIQSSA-N 0 0 594.270 7.480 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc(Br)cc1 ZINC000409220195 1073006079 /nfs/dbraw/zinc/00/60/79/1073006079.db2.gz ZBYBDRDLHASVHG-LSHDLFTRSA-N 0 0 686.256 7.850 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230120 1073016840 /nfs/dbraw/zinc/01/68/40/1073016840.db2.gz BOMAEONYFMHPKI-DHRITJCHSA-N 0 0 642.484 6.019 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409229430 1073019713 /nfs/dbraw/zinc/01/97/13/1073019713.db2.gz OXVJQEXQKCIBEW-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000409229130 1073023740 /nfs/dbraw/zinc/02/37/40/1073023740.db2.gz KDMHCYOFVYDNOU-WSDLNYQXSA-N 0 0 512.349 5.882 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409228968 1073025023 /nfs/dbraw/zinc/02/50/23/1073025023.db2.gz HVFDXUOKPOTWAN-YDZHTSKRSA-N 0 0 646.903 6.663 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409227389 1073031745 /nfs/dbraw/zinc/03/17/45/1073031745.db2.gz YGCXSRVZEPCWAP-AUEPDCJTSA-N 0 0 616.967 6.162 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409227482 1073032238 /nfs/dbraw/zinc/03/22/38/1073032238.db2.gz YXYCQYGERTUNEU-AUEPDCJTSA-N 0 0 571.970 5.650 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409237115 1073033871 /nfs/dbraw/zinc/03/38/71/1073033871.db2.gz JCJMZECHCGRESE-ZMOGYAJESA-N 0 0 503.967 6.488 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409236670 1073037078 /nfs/dbraw/zinc/03/70/78/1073037078.db2.gz SYSRQTNKGWGJBM-CIAFOILYSA-N 0 0 571.373 5.021 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409232402 1073061227 /nfs/dbraw/zinc/06/12/27/1073061227.db2.gz OTBSICJRFDVIKF-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409230893 1073067237 /nfs/dbraw/zinc/06/72/37/1073067237.db2.gz HCUXJRBXVSPRHV-DEDYPNTBSA-N 0 0 598.415 5.250 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1Cl ZINC000409247297 1073071419 /nfs/dbraw/zinc/07/14/19/1073071419.db2.gz MDTQQNQKAKWSGR-GRSHGNNSSA-N 0 0 562.785 5.946 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1Cl ZINC000409246701 1073074689 /nfs/dbraw/zinc/07/46/89/1073074689.db2.gz ANIDSBIDKKBYHL-YBFXNURJSA-N 0 0 510.915 5.111 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409246227 1073077358 /nfs/dbraw/zinc/07/73/58/1073077358.db2.gz GRQGQEVAGKBMCA-WSDLNYQXSA-N 0 0 507.930 5.237 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(F)c1 ZINC000409238282 1073121278 /nfs/dbraw/zinc/12/12/78/1073121278.db2.gz MLDJZTRZDCUZKN-SSDVNMTOSA-N 0 0 633.395 5.593 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000409237505 1073126474 /nfs/dbraw/zinc/12/64/74/1073126474.db2.gz IZRBFAKTQJMDIN-CVKSISIWSA-N 0 0 556.600 5.590 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409251043 1073130038 /nfs/dbraw/zinc/13/00/38/1073130038.db2.gz OAQXDAIFOIUKCS-DHRITJCHSA-N 0 0 615.586 7.096 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409250829 1073133350 /nfs/dbraw/zinc/13/33/50/1073133350.db2.gz OCWWLIGOBNDOQR-YDZHTSKRSA-N 0 0 613.852 5.684 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409248710 1073146234 /nfs/dbraw/zinc/14/62/34/1073146234.db2.gz IDCRQUVDFQEBRR-LPYMAVHISA-N 0 0 522.355 5.338 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 ZINC000409256851 1073160151 /nfs/dbraw/zinc/16/01/51/1073160151.db2.gz QHKDAXKSKUKHPZ-WYMPLXKRSA-N 0 0 662.440 6.790 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409255686 1073166687 /nfs/dbraw/zinc/16/66/87/1073166687.db2.gz IJPGBCOJWNNAON-LQKURTRISA-N 0 0 603.653 6.054 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 ZINC000409253209 1073183009 /nfs/dbraw/zinc/18/30/09/1073183009.db2.gz FEMWESNSKYZRKK-FOKLQQMPSA-N 0 0 650.429 7.460 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409252215 1073188266 /nfs/dbraw/zinc/18/82/66/1073188266.db2.gz RHADDBKNBPIHAW-AWQFTUOYSA-N 0 0 627.475 6.507 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CC(O)CC1(C)C ZINC001560405225 1073194394 /nfs/dbraw/zinc/19/43/94/1073194394.db2.gz UHODOWRLCGEIFZ-QQGJMDNJSA-N 0 0 551.879 12.120 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409266450 1073201871 /nfs/dbraw/zinc/20/18/71/1073201871.db2.gz WXTGPFCUYAEQDP-UHFFFAOYSA-N 0 0 536.031 5.121 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409263152 1073220065 /nfs/dbraw/zinc/22/00/65/1073220065.db2.gz APHAJULSMUUILD-ZMOGYAJESA-N 0 0 631.888 6.908 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409262390 1073222628 /nfs/dbraw/zinc/22/26/28/1073222628.db2.gz IHMVEFFZRDNLCK-FSJBWODESA-N 0 0 662.312 6.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409261776 1073225814 /nfs/dbraw/zinc/22/58/14/1073225814.db2.gz BBGJRIWJSFIAQF-CVKSISIWSA-N 0 0 699.523 5.798 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409258017 1073248783 /nfs/dbraw/zinc/24/87/83/1073248783.db2.gz VRNHNDJALWIESJ-WYMPLXKRSA-N 0 0 660.930 6.972 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409258018 1073249196 /nfs/dbraw/zinc/24/91/96/1073249196.db2.gz SQSWWMAJJZNXRQ-BHGWPJFGSA-N 0 0 628.413 5.772 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409272678 1073253095 /nfs/dbraw/zinc/25/30/95/1073253095.db2.gz OBVDTEFUEXVSIX-OEAKJJBVSA-N 0 0 583.022 5.340 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409272242 1073256831 /nfs/dbraw/zinc/25/68/31/1073256831.db2.gz MWGFFQMENYLOTQ-CAOOACKPSA-N 0 0 582.310 5.710 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)c(F)c1F ZINC000409272225 1073256895 /nfs/dbraw/zinc/25/68/95/1073256895.db2.gz MOPIVOWAOXWPBW-JJFYIABZSA-N 0 0 566.517 5.690 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)CC1 ZINC000409272113 1073257640 /nfs/dbraw/zinc/25/76/40/1073257640.db2.gz LREWJYOIINRWGZ-CIAFOILYSA-N 0 0 549.527 5.701 40 5 KKBBRN O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409271636 1073261197 /nfs/dbraw/zinc/26/11/97/1073261197.db2.gz KUBPIUKHQIFGHK-JMIUGGIZSA-N 0 0 520.872 7.300 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409271671 1073261553 /nfs/dbraw/zinc/26/15/53/1073261553.db2.gz LANKJYGNSZLISC-WYMPLXKRSA-N 0 0 549.517 5.010 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409271620 1073263124 /nfs/dbraw/zinc/26/31/24/1073263124.db2.gz KPXDEPDGXVFTNL-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409271171 1073266223 /nfs/dbraw/zinc/26/62/23/1073266223.db2.gz JQGAKJBSRUFSNA-UDWIEESQSA-N 0 0 546.966 5.265 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F ZINC000409270778 1073268054 /nfs/dbraw/zinc/26/80/54/1073268054.db2.gz APGOMQWCQGFHTA-DJKKODMXSA-N 0 0 597.449 6.498 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n21 ZINC000409270538 1073269603 /nfs/dbraw/zinc/26/96/03/1073269603.db2.gz HDZROWBZXDRQTN-UPWSPCOFSA-N 0 0 669.598 5.102 40 5 KKBBRN O=C(Cn1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409269584 1073275279 /nfs/dbraw/zinc/27/52/79/1073275279.db2.gz KLNFMZXZEBCMQZ-MXAYSNPKSA-N 0 0 558.547 5.247 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409269571 1073276839 /nfs/dbraw/zinc/27/68/39/1073276839.db2.gz CSNFGUWYNBJSSI-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409269323 1073278265 /nfs/dbraw/zinc/27/82/65/1073278265.db2.gz BFRNHVWQLHUIGZ-YSMPRRRNSA-N 0 0 511.559 5.825 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409269209 1073279339 /nfs/dbraw/zinc/27/93/39/1073279339.db2.gz HBXVPHXLELPALS-CFRMEGHHSA-N 0 0 596.459 6.228 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000409268749 1073282045 /nfs/dbraw/zinc/28/20/45/1073282045.db2.gz YPSPORPXCVCUGW-UHFFFAOYSA-N 0 0 527.908 5.409 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409268367 1073285231 /nfs/dbraw/zinc/28/52/31/1073285231.db2.gz SNFGKHAYLKKPAI-FSJBWODESA-N 0 0 648.406 5.845 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409267712 1073287839 /nfs/dbraw/zinc/28/78/39/1073287839.db2.gz XFNBAJPXZFICDB-ZVHZXABRSA-N 0 0 644.443 6.096 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409276034 1073294126 /nfs/dbraw/zinc/29/41/26/1073294126.db2.gz XOTCDHMPUZXXOI-WSDLNYQXSA-N 0 0 534.550 5.083 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409275431 1073298670 /nfs/dbraw/zinc/29/86/70/1073298670.db2.gz UMKBCDSGVULSST-WSDLNYQXSA-N 0 0 507.524 5.155 40 5 KKBBRN CC(C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000409274396 1073309690 /nfs/dbraw/zinc/30/96/90/1073309690.db2.gz WPONPLOPBGMFQB-GRSHGNNSSA-N 0 0 505.346 5.064 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409274448 1073310429 /nfs/dbraw/zinc/31/04/29/1073310429.db2.gz WWWMYJASEUTVSW-GOQPZEPVSA-N 0 0 668.772 5.097 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274178 1073312449 /nfs/dbraw/zinc/31/24/49/1073312449.db2.gz NHPYHKAEWUWBPS-FOKLQQMPSA-N 0 0 543.384 6.400 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1Cl ZINC000409274225 1073312733 /nfs/dbraw/zinc/31/27/33/1073312733.db2.gz CCVYYOGIZYCLQU-BNCCVWRVSA-N 0 0 516.746 5.239 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409274052 1073314282 /nfs/dbraw/zinc/31/42/82/1073314282.db2.gz UJZHEDIOSCUQKD-WGJPBTIMSA-N 0 0 673.191 5.742 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409273894 1073315810 /nfs/dbraw/zinc/31/58/10/1073315810.db2.gz MRYBRHPTYFQRAB-JJFYIABZSA-N 0 0 541.557 6.008 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409273749 1073317320 /nfs/dbraw/zinc/31/73/20/1073317320.db2.gz SCGFJPDOGCZUMW-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409273693 1073317890 /nfs/dbraw/zinc/31/78/90/1073317890.db2.gz LDRMCRGLAYOBEK-OCKHKDLRSA-N 0 0 531.468 5.564 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409273736 1073318188 /nfs/dbraw/zinc/31/81/88/1073318188.db2.gz RYAFWSHXNPMJFJ-FBHDLOMBSA-N 0 0 503.363 7.015 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273660 1073318523 /nfs/dbraw/zinc/31/85/23/1073318523.db2.gz KRKYQKYWRAMEKE-AUEPDCJTSA-N 0 0 598.977 5.941 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273381 1073319840 /nfs/dbraw/zinc/31/98/40/1073319840.db2.gz QIHPNGFFDKMSOW-GSASKQFNSA-N 0 0 654.789 5.885 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409272979 1073321085 /nfs/dbraw/zinc/32/10/85/1073321085.db2.gz OUBDTXVZWBKURR-CAOOACKPSA-N 0 0 537.859 5.601 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409277133 1073324249 /nfs/dbraw/zinc/32/42/49/1073324249.db2.gz ZNQIEARZWJVTIX-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409276619 1073328054 /nfs/dbraw/zinc/32/80/54/1073328054.db2.gz UHHUNZHKAMADDY-QRVIBDJDSA-N 0 0 554.049 6.691 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409276694 1073328733 /nfs/dbraw/zinc/32/87/33/1073328733.db2.gz VERBILUXFJWBDA-DHRITJCHSA-N 0 0 582.034 6.209 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409276353 1073331235 /nfs/dbraw/zinc/33/12/35/1073331235.db2.gz QBVOXDCOIMUXRP-NNAGEYCMSA-N 0 0 683.625 5.494 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409276431 1073331968 /nfs/dbraw/zinc/33/19/68/1073331968.db2.gz RASZMPSLEHTDIV-DAIZXWHWSA-N 0 0 653.805 5.410 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273126 1073335215 /nfs/dbraw/zinc/33/52/15/1073335215.db2.gz PVRHUIOWKQGMFL-DHRITJCHSA-N 0 0 592.586 5.986 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368595 193905004 /nfs/dbraw/zinc/90/50/04/193905004.db2.gz VKMRREWVKJNAEW-CFRMEGHHSA-N 0 0 563.613 5.501 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000100370124 193905907 /nfs/dbraw/zinc/90/59/07/193905907.db2.gz QDDGGVIRWRXQRX-QRVIBDJDSA-N 0 0 551.671 6.451 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222972896 193930394 /nfs/dbraw/zinc/93/03/94/193930394.db2.gz KLBIBZWOCJBMOZ-QFIPXVFZSA-N 0 0 631.151 5.094 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224513485 193956186 /nfs/dbraw/zinc/95/61/86/193956186.db2.gz FPTRKUTUUSPBMI-ZEQRLZLVSA-N 0 0 551.422 6.198 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225540840 193973338 /nfs/dbraw/zinc/97/33/38/193973338.db2.gz ILDGZJKSBCHJGV-YIXXDRMTSA-N 0 0 659.205 5.791 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225540879 193973346 /nfs/dbraw/zinc/97/33/46/193973346.db2.gz ILDGZJKSBCHJGV-WNCULLNHSA-N 0 0 659.205 5.791 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409382873 195516593 /nfs/dbraw/zinc/51/65/93/195516593.db2.gz WUPLHVZHIBNRGM-HMAPJEAMSA-N 0 0 560.028 5.275 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408853379 195495775 /nfs/dbraw/zinc/49/57/75/195495775.db2.gz RSXOFHNDLOZZNN-KFOJKGMOSA-N 0 0 804.517 7.285 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409050728 195500645 /nfs/dbraw/zinc/50/06/45/195500645.db2.gz ZBFGJBFGLDWWRQ-OUPPTFFXSA-N 0 0 772.674 6.997 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409231490 195507262 /nfs/dbraw/zinc/50/72/62/195507262.db2.gz KTLVSKCYDRQETF-YDZHTSKRSA-N 0 0 752.303 5.477 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409231694 195507979 /nfs/dbraw/zinc/50/79/79/195507979.db2.gz FPOAGWCXQQKYSU-SRZZPIQSSA-N 0 0 549.819 7.371 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1cccc(F)c1 ZINC000409232647 195510581 /nfs/dbraw/zinc/51/05/81/195510581.db2.gz AVUKITIQLNZXGR-SSDVNMTOSA-N 0 0 633.395 5.593 40 5 KKBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccc(C)cc2)cc1 ZINC000000793888 551542929 /nfs/dbraw/zinc/54/29/29/551542929.db2.gz DWYJZURDKJPSSZ-UHFFFAOYSA-N 0 0 519.583 5.111 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1-c1ccccc1 ZINC000000869034 551553691 /nfs/dbraw/zinc/55/36/91/551553691.db2.gz WOOQPBOPVGRBJO-UHFFFAOYSA-N 0 0 502.600 5.444 40 5 KKBBRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 ZINC000000907440 551570113 /nfs/dbraw/zinc/57/01/13/551570113.db2.gz FGIMBEHVDHMEDS-UHFFFAOYSA-N 0 0 509.975 5.544 40 5 KKBBRN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001443146 551673488 /nfs/dbraw/zinc/67/34/88/551673488.db2.gz VDIHPEXKGNFZMN-UHFFFAOYSA-N 0 0 524.558 5.599 40 5 KKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000001637321 551687376 /nfs/dbraw/zinc/68/73/76/551687376.db2.gz QTXFJJFLADPMOP-FBHDLOMBSA-N 0 0 589.309 7.791 40 5 KKBBRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc(-c3ccc(C[N+]4(C)CCc5[nH]c6ccccc6c5C4)cc3)o2)cc1 ZINC000001896795 551728316 /nfs/dbraw/zinc/72/83/16/551728316.db2.gz AKLJCWOUCOJXAM-UHFFFAOYSA-N 0 0 590.729 6.697 40 5 KKBBRN O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002772944 552185503 /nfs/dbraw/zinc/18/55/03/552185503.db2.gz ZLUCEWPLNFSCIQ-UHFFFAOYSA-N 0 0 581.584 7.704 40 5 KKBBRN O=C(Nc1cc(-c2nc3ccccc3c(=O)o2)cc(-c2nc3ccccc3c(=O)o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000003142875 552295305 /nfs/dbraw/zinc/29/53/05/552295305.db2.gz QRDMXNQBWMLGOS-UHFFFAOYSA-N 0 0 532.468 5.184 40 5 KKBBRN c1ccc2c(c1)c1nc3nc(nc4nc(nc5nc(nc2n1)c1ccccc15)c1ccccc14)c1ccccc13 ZINC000005707314 552507431 /nfs/dbraw/zinc/50/74/31/552507431.db2.gz LOWPZDCTVDWTBN-UHFFFAOYSA-N 0 0 512.536 6.634 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1[N+](=O)[O-] ZINC000005949399 552516413 /nfs/dbraw/zinc/51/64/13/552516413.db2.gz QNQVSAXEXAFAGP-UHFFFAOYSA-N 0 0 520.567 5.554 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 ZINC000006136381 552541626 /nfs/dbraw/zinc/54/16/26/552541626.db2.gz LLQADIFNPYGELM-UHFFFAOYSA-N 0 0 540.399 5.344 40 5 KKBBRN COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006157249 552553496 /nfs/dbraw/zinc/55/34/96/552553496.db2.gz JJFQMULJXOFFIC-UHFFFAOYSA-N 0 0 524.990 5.180 40 5 KKBBRN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(N)c32)cc1OC ZINC000006162825 552555655 /nfs/dbraw/zinc/55/56/55/552555655.db2.gz JWBGGZLRLXKUDZ-UHFFFAOYSA-N 0 0 526.574 6.390 40 5 KKBBRN Cc1cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)ccc1Cl ZINC000006194211 552565966 /nfs/dbraw/zinc/56/59/66/552565966.db2.gz SUMGCTQJQYDSEF-UHFFFAOYSA-N 0 0 509.975 5.447 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000006280809 552576720 /nfs/dbraw/zinc/57/67/20/552576720.db2.gz VJLZZKHAEWKLRE-INIZCTEOSA-N 0 0 538.427 6.033 40 5 KKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006445704 552588288 /nfs/dbraw/zinc/58/82/88/552588288.db2.gz ZFEITRZCKTYFMO-UHFFFAOYSA-N 0 0 556.922 6.204 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12 ZINC000006547928 552600974 /nfs/dbraw/zinc/60/09/74/552600974.db2.gz ZJEVTZZIGPCFCD-UHFFFAOYSA-N 0 0 527.671 7.036 40 5 KKBBRN O=[N+]([O-])/C=C\c1cn(CCCCCCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC000008652015 553107452 /nfs/dbraw/zinc/10/74/52/553107452.db2.gz BAZKSHGYXFPJBS-SRPFLQSCSA-N 0 0 542.680 8.692 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832876 553158637 /nfs/dbraw/zinc/15/86/37/553158637.db2.gz KGOIPVCGPPPBFW-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1)c1cccs1 ZINC000008833003 553159034 /nfs/dbraw/zinc/15/90/34/553159034.db2.gz KLMGSPRHHRHAEY-UHFFFAOYSA-N 0 0 509.613 5.026 40 5 KKBBRN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000008833014 553159304 /nfs/dbraw/zinc/15/93/04/553159304.db2.gz ZHPDKMWTFOMRMB-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008833183 553159766 /nfs/dbraw/zinc/15/97/66/553159766.db2.gz AELQWSYWQULFAP-UHFFFAOYSA-N 0 0 501.568 5.438 40 5 KKBBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833361 553160383 /nfs/dbraw/zinc/16/03/83/553160383.db2.gz CBLPOLVDEWHZGY-UHFFFAOYSA-N 0 0 514.611 5.564 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000008835466 553162172 /nfs/dbraw/zinc/16/21/72/553162172.db2.gz UOKXGGRWQKFBHQ-UHFFFAOYSA-N 0 0 508.559 6.505 40 5 KKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008895140 553178118 /nfs/dbraw/zinc/17/81/18/553178118.db2.gz ZCENQXRVLKZVEN-QPJJXVBHSA-N 0 0 510.786 6.650 40 5 KKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008898904 553180379 /nfs/dbraw/zinc/18/03/79/553180379.db2.gz RRGKHWHIGZCFHM-UHFFFAOYSA-N 0 0 510.358 7.691 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232581 553223841 /nfs/dbraw/zinc/22/38/41/553223841.db2.gz DVOOWSBNWFBPEN-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 ZINC000009232628 553223885 /nfs/dbraw/zinc/22/38/85/553223885.db2.gz KWYQQTGVNSVVNP-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1F ZINC000009361089 553248650 /nfs/dbraw/zinc/24/86/50/553248650.db2.gz NSKVQDNPYBRCIR-HBMCJLEFSA-N 0 0 502.285 5.092 40 5 KKBBRN COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120244 553329961 /nfs/dbraw/zinc/32/99/61/553329961.db2.gz FZWHOTYKMDRISG-WEVVVXLNSA-N 0 0 509.902 5.734 40 5 KKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(Br)(c1ccccc1)c1ccccc1 ZINC000010152078 553330283 /nfs/dbraw/zinc/33/02/83/553330283.db2.gz QTMBKJUQLIPWKR-UHFFFAOYSA-N 0 0 515.363 6.103 40 5 KKBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccccc2C)cc1 ZINC000011851724 553343923 /nfs/dbraw/zinc/34/39/23/553343923.db2.gz KICJVCBXIVDPDB-UHFFFAOYSA-N 0 0 503.352 5.298 40 5 KKBBRN COc1cccc(C[C@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2cccc(OC)c2)c1 ZINC000013028248 553437520 /nfs/dbraw/zinc/43/75/20/553437520.db2.gz GGIBDLDAJUNRPT-HHHXNRCGSA-N 0 0 521.573 5.745 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000013584436 553476085 /nfs/dbraw/zinc/47/60/85/553476085.db2.gz XAKNKTHGLLUGDG-UHFFFAOYSA-N 0 0 516.000 5.681 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000014132579 553501654 /nfs/dbraw/zinc/50/16/54/553501654.db2.gz YNGINMYVSHPUMZ-ZVHZXABRSA-N 0 0 513.531 6.180 40 5 KKBBRN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277736 553510428 /nfs/dbraw/zinc/51/04/28/553510428.db2.gz GVXYKDVHUQCUPY-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000014879959 553520739 /nfs/dbraw/zinc/52/07/39/553520739.db2.gz KBPHJBAIARWVSC-XWUGOPFFSA-N 0 0 568.886 10.403 40 5 endogenous,world KKBBRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000015218606 553528598 /nfs/dbraw/zinc/52/85/98/553528598.db2.gz PRVMHSIZXYESER-UHFFFAOYSA-N 0 0 507.456 6.354 40 5 KKBBRN COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015304261 553530979 /nfs/dbraw/zinc/53/09/79/553530979.db2.gz BEBKTVCPQBNOAK-UHFFFAOYSA-N 0 0 519.451 5.516 40 5 KKBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000016384081 553561941 /nfs/dbraw/zinc/56/19/41/553561941.db2.gz WWDNHBZCYPEPSQ-MSFWWKAZSA-N 0 0 516.937 5.931 40 5 KKBBRN O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4s3)c(Sc3nc4ccccc4s3)nc2c1 ZINC000016545476 553567676 /nfs/dbraw/zinc/56/76/76/553567676.db2.gz XIWFWUSVXLIGBR-UHFFFAOYSA-N 0 0 505.631 7.060 40 5 KKBBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc65)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000070665222 553595711 /nfs/dbraw/zinc/59/57/11/553595711.db2.gz HCSFRBRVRMVEBY-MKXQUAIGSA-N 0 0 652.916 10.668 40 5 KKBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017920759 553600750 /nfs/dbraw/zinc/60/07/50/553600750.db2.gz AOALKDZKDYFDQM-VJBWXMMDSA-N 0 0 512.349 5.515 40 5 KKBBRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708247 553632552 /nfs/dbraw/zinc/63/25/52/553632552.db2.gz XIVQZSSTRPPFCT-MRXNPFEDSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019927946 553634195 /nfs/dbraw/zinc/63/41/95/553634195.db2.gz MNNUNIQSMOXNHD-UHFFFAOYSA-N 0 0 504.149 5.445 40 5 KKBBRN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072130349 553641546 /nfs/dbraw/zinc/64/15/46/553641546.db2.gz FCFUVXURJQGSIU-SGFBLBLDSA-N 0 0 511.618 7.256 40 5 in-vitro KKBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000020528522 553669098 /nfs/dbraw/zinc/66/90/98/553669098.db2.gz SSBFQSRPNBWBJV-UHFFFAOYSA-N 0 0 528.053 5.186 40 5 KKBBRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000021005660 553705556 /nfs/dbraw/zinc/70/55/56/553705556.db2.gz QEGPNGOYJNQYRL-DEOSSOPVSA-N 0 0 504.930 5.596 40 5 KKBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000021123824 553707204 /nfs/dbraw/zinc/70/72/04/553707204.db2.gz BAYYHXFXUBRRSD-CXUHLZMHSA-N 0 0 522.561 5.469 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 ZINC000022825676 553752798 /nfs/dbraw/zinc/75/27/98/553752798.db2.gz LRLWCEIBUWTVFZ-UHFFFAOYSA-N 0 0 502.571 5.234 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000022826665 553753086 /nfs/dbraw/zinc/75/30/86/553753086.db2.gz MMODYXRWSFXFCJ-UHFFFAOYSA-N 0 0 503.338 5.691 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000022828146 553753870 /nfs/dbraw/zinc/75/38/70/553753870.db2.gz VILBMUNABGNUCZ-INIZCTEOSA-N 0 0 504.568 5.809 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000022833467 553756055 /nfs/dbraw/zinc/75/60/55/553756055.db2.gz NTKSJLBCOABBIG-AWEZNQCLSA-N 0 0 508.987 6.697 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022837385 553757381 /nfs/dbraw/zinc/75/73/81/553757381.db2.gz IOSSRRYHGBQTRJ-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3Cl)CC2)cc1 ZINC000022847448 553760699 /nfs/dbraw/zinc/76/06/99/553760699.db2.gz ZFOWTSDWBOTUJK-UHFFFAOYSA-N 0 0 522.989 5.252 40 5 KKBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000024522505 553790821 /nfs/dbraw/zinc/79/08/21/553790821.db2.gz MDFAGFSWQBOYFQ-KAYWLYCHSA-N 0 0 502.567 6.438 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@H](c5ccc(F)cc5)N6)nc34)c21 ZINC000097948484 553794074 /nfs/dbraw/zinc/79/40/74/553794074.db2.gz MGPLOAYWOIKPSY-CZUORRHYSA-N 0 0 574.514 6.796 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)/C=C/c5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1 ZINC000029746972 553846743 /nfs/dbraw/zinc/84/67/43/553846743.db2.gz WSDIOJVTIXMPSE-VGOFMYFVSA-N 0 0 553.663 5.445 40 5 KKBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033749910 553972214 /nfs/dbraw/zinc/97/22/14/553972214.db2.gz GRJFAINEHRGPED-UTNOOFTGSA-N 0 0 514.619 5.023 40 5 KKBBRN CCCCCCC(=O)SC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCCC ZINC000034110119 553980982 /nfs/dbraw/zinc/98/09/82/553980982.db2.gz LFFIJRJGKBSELO-FQEVSTJZSA-O 0 0 514.711 5.655 40 5 in-vitro KKBBRN C[C@@H]1[C@@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@]12CC[C@@H](C)CO2 ZINC000034257514 553981211 /nfs/dbraw/zinc/98/12/11/553981211.db2.gz ULNDHEVVJSRKCY-ZDLCRNMYSA-N 0 0 509.643 6.317 40 5 KKBBRN COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000097979957 553983861 /nfs/dbraw/zinc/98/38/61/553983861.db2.gz CDKATGCAQCFDAJ-RESVECLGSA-N 0 0 590.032 6.245 40 5 KKBBRN COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097979959 553983953 /nfs/dbraw/zinc/98/39/53/553983953.db2.gz CDKATGCAQCFDAJ-OOTBNKNQSA-N 0 0 590.032 6.245 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000034703313 553993151 /nfs/dbraw/zinc/99/31/51/553993151.db2.gz WTCSQFIIUQPWLP-GWJVZLEGSA-N 0 0 507.924 6.963 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097983325 554008787 /nfs/dbraw/zinc/00/87/87/554008787.db2.gz AKSZYOCCHXPUBR-ZNTFZVSESA-N 0 0 570.602 6.737 40 5 KKBBRN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097984283 554015315 /nfs/dbraw/zinc/01/53/15/554015315.db2.gz WCWIJPQJVBGTJF-JZLRHHTDSA-N 0 0 530.512 5.844 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc3ccccc3n2)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000098008160 554066677 /nfs/dbraw/zinc/06/66/77/554066677.db2.gz UXQDOQXZPHTDDZ-UHFFFAOYSA-N 0 0 598.994 7.102 40 5 KKBBRN CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000100070719 554201365 /nfs/dbraw/zinc/20/13/65/554201365.db2.gz BMGQWWVMWDBQGC-PZFYLCKJSA-N 0 0 570.649 5.907 40 5 in-vitro KKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1ccc([C@H]2Oc4nc5cc([N+](=O)[O-])ccc5nc4C2O)cc1)C3O ZINC000100134555 554226295 /nfs/dbraw/zinc/22/62/95/554226295.db2.gz IBFSQXGZNDUXCP-DNQXCXABSA-N 0 0 540.448 5.496 40 5 in-vitro KKBBRN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036628356 554228522 /nfs/dbraw/zinc/22/85/22/554228522.db2.gz XFPWBVSMAIBALV-UHFFFAOYSA-N 0 0 518.577 5.267 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100250916 554262603 /nfs/dbraw/zinc/26/26/03/554262603.db2.gz VAVXZUQBBRJJHV-YVBHXKDBSA-N 0 0 601.681 5.371 40 5 KKBBRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)s2)cc1 ZINC000039745228 554280000 /nfs/dbraw/zinc/28/00/00/554280000.db2.gz YPOZRWKTLAVRAQ-LHHJGKSTSA-N 0 0 501.524 5.026 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100300569 554290841 /nfs/dbraw/zinc/29/08/41/554290841.db2.gz XVJYJXKBVDAHCH-UHFFFAOYSA-N 0 0 523.304 6.115 40 5 KKBBRN CC(=C\C=C/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C\C=C(C)\C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000043768015 554300004 /nfs/dbraw/zinc/30/00/04/554300004.db2.gz KBPHJBAIARWVSC-VZUSBXNKSA-N 0 0 568.886 10.403 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000100327766 554310608 /nfs/dbraw/zinc/31/06/08/554310608.db2.gz GJOXSPGKYLKNGV-UHFFFAOYSA-N 0 0 554.632 6.367 40 5 KKBBRN CCOC(=O)CCc1c(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1n2)c(CCC(=O)OCC)c5C)[nH]4)[nH]3 ZINC000100340739 554325124 /nfs/dbraw/zinc/32/51/24/554325124.db2.gz LOGSUYSPUXLAGX-UHFFFAOYSA-N 0 0 566.702 7.095 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4 ZINC000100344667 554329626 /nfs/dbraw/zinc/32/96/26/554329626.db2.gz QVUAISKDTLSGOL-HNNXBMFYSA-N 0 0 584.724 5.926 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000100348859 554330857 /nfs/dbraw/zinc/33/08/57/554330857.db2.gz HEOGWSQBJBWUDO-JJFYIABZSA-N 0 0 574.467 7.036 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000100357754 554338475 /nfs/dbraw/zinc/33/84/75/554338475.db2.gz ANUVNPWPCPQFAG-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100360052 554342038 /nfs/dbraw/zinc/34/20/38/554342038.db2.gz GOBUAYNRUDCHNM-JVWAILMASA-N 0 0 619.493 7.725 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000100361039 554344487 /nfs/dbraw/zinc/34/44/87/554344487.db2.gz XYBJHIZMOUUIOY-UHFFFAOYSA-N 0 0 564.133 6.022 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc(Br)cc2)c2ccccc2)n1Cc1ccc(Br)cc1 ZINC000100362619 554346577 /nfs/dbraw/zinc/34/65/77/554346577.db2.gz SCRVHXGXXVIWRE-VWLOTQADSA-N 0 0 619.313 7.253 40 5 KKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc(Br)cc2)c2ccccc2)n1Cc1ccc(Br)cc1 ZINC000100362615 554346589 /nfs/dbraw/zinc/34/65/89/554346589.db2.gz SCRVHXGXXVIWRE-RUZDIDTESA-N 0 0 619.313 7.253 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000057312790 554353714 /nfs/dbraw/zinc/35/37/14/554353714.db2.gz DKQSMABWPQJVSN-SAPNQHFASA-N 0 0 501.498 7.468 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367595 554353810 /nfs/dbraw/zinc/35/38/10/554353810.db2.gz NRUKQNLSNZACGI-OYKKKHCWSA-N 0 0 533.631 6.346 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367457 554353812 /nfs/dbraw/zinc/35/38/12/554353812.db2.gz PLEGBYYYOUMHMJ-QQXSKIMKSA-N 0 0 555.637 6.883 40 5 KKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000057313288 554354015 /nfs/dbraw/zinc/35/40/15/554354015.db2.gz JUWYYWYKIAVAJF-BMRADRMJSA-N 0 0 522.561 5.469 40 5 KKBBRN COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000057315829 554354536 /nfs/dbraw/zinc/35/45/36/554354536.db2.gz NHGKMHKOFICNTC-UHFFFAOYSA-N 0 0 513.550 5.865 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369322 554355559 /nfs/dbraw/zinc/35/55/59/554355559.db2.gz LGZKPGUODCODRC-XKZIYDEJSA-N 0 0 541.448 7.053 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369960 554355789 /nfs/dbraw/zinc/35/57/89/554355789.db2.gz BGTXYXJPHFIYOW-UCQKPKSFSA-N 0 0 533.631 6.346 40 5 KKBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000057317160 554355998 /nfs/dbraw/zinc/35/59/98/554355998.db2.gz JDGUIUHKWPFWTQ-WYMLVPIESA-N 0 0 502.571 5.201 40 5 KKBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000100381973 554363445 /nfs/dbraw/zinc/36/34/45/554363445.db2.gz YDBZMFUJPSXKBE-AATRIKPKSA-N 0 0 559.642 5.144 40 5 KKBBRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O ZINC000059294063 554387504 /nfs/dbraw/zinc/38/75/04/554387504.db2.gz YZHKVXCFLXIFLJ-NTCAYCPXSA-N 0 0 508.486 6.289 40 5 KKBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000059331509 554388783 /nfs/dbraw/zinc/38/87/83/554388783.db2.gz SSEQQCAGJXWQAK-UHFFFAOYSA-N 0 0 517.567 5.144 40 5 KKBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)oc2c1 ZINC000059331525 554389229 /nfs/dbraw/zinc/38/92/29/554389229.db2.gz CJURBJVIKSJEDJ-UHFFFAOYSA-N 0 0 517.567 5.144 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474822 554396804 /nfs/dbraw/zinc/39/68/04/554396804.db2.gz TVSVAYMCRQGVAY-UHFFFAOYSA-N 0 0 514.588 6.341 40 5 KKBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)C1 ZINC000059490038 554398739 /nfs/dbraw/zinc/39/87/39/554398739.db2.gz YSNWTCJFVGOANO-JIPXPUAJSA-N 0 0 515.054 5.254 40 5 KKBBRN O=C(Nc1ccc(-c2ccnc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000100499824 554405285 /nfs/dbraw/zinc/40/52/85/554405285.db2.gz QFCBNDCQEVTCKW-UHFFFAOYSA-N 0 0 560.526 6.132 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6cccc([N+](=O)[O-])c6)nc5c4)ccc3o2)c1 ZINC000100530984 554410853 /nfs/dbraw/zinc/41/08/53/554410853.db2.gz ZCETYKUGUVBXNA-UHFFFAOYSA-N 0 0 542.485 5.952 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000059609142 554412207 /nfs/dbraw/zinc/41/22/07/554412207.db2.gz PCHURLWFAPCIFN-SSEXGKCCSA-N 0 0 539.588 5.982 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@H](O)N2[C@@H]1c1ccc(Cl)cc1 ZINC000100545013 554413677 /nfs/dbraw/zinc/41/36/77/554413677.db2.gz GQXFPRLTTCKRAU-KWXLEUCMSA-N 0 0 586.453 6.818 40 5 KKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)CC1 ZINC000059825771 554432218 /nfs/dbraw/zinc/43/22/18/554432218.db2.gz BCJNVJVTMOGAPF-UHFFFAOYSA-N 0 0 529.018 5.364 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059881864 554457522 /nfs/dbraw/zinc/45/75/22/554457522.db2.gz UHMROBQCJFJHFG-UHFFFAOYSA-N 0 0 591.711 6.347 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059882179 554457783 /nfs/dbraw/zinc/45/77/83/554457783.db2.gz LVTKMBCTSCBMMP-NYYWCZLTSA-N 0 0 525.892 5.720 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000059882739 554458753 /nfs/dbraw/zinc/45/87/53/554458753.db2.gz APNJZHGXFDEZIV-UHFFFAOYSA-N 0 0 616.677 5.383 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000059886642 554467032 /nfs/dbraw/zinc/46/70/32/554467032.db2.gz YARYMCOYIFAEGH-UHFFFAOYSA-N 0 0 616.677 5.383 40 5 KKBBRN CCCCCCC(=O)S[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)CSC(=S)CCCCCC ZINC000064858307 554518289 /nfs/dbraw/zinc/51/82/89/554518289.db2.gz OLAMVXFOJKWFBU-FQEVSTJZSA-O 0 0 530.779 6.456 40 5 in-vitro KKBBRN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 ZINC000100912643 554518297 /nfs/dbraw/zinc/51/82/97/554518297.db2.gz SRBGMCBGEUXJBO-WMTXJRDZSA-N 0 0 610.069 5.381 40 5 KKBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000100924847 554523463 /nfs/dbraw/zinc/52/34/63/554523463.db2.gz PASPVAVMSKLZOI-UHFFFAOYSA-N 0 0 563.064 6.274 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000100926709 554524202 /nfs/dbraw/zinc/52/42/02/554524202.db2.gz ACTTVKYFPXTCSY-HWUWQJTLSA-N 0 0 526.976 5.964 40 5 KKBBRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000100928866 554525592 /nfs/dbraw/zinc/52/55/92/554525592.db2.gz HOJZDZIPKRIXHQ-CYBMUJFWSA-N 0 0 544.998 6.632 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000100949631 554536971 /nfs/dbraw/zinc/53/69/71/554536971.db2.gz CUSPOXFMPRSRHW-PNZYDNNZSA-N 0 0 540.439 6.098 40 5 KKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000100949682 554537014 /nfs/dbraw/zinc/53/70/14/554537014.db2.gz MHCIZUWURDSZRW-UHFFFAOYSA-N 0 0 520.954 5.887 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000100957591 554540472 /nfs/dbraw/zinc/54/04/72/554540472.db2.gz XIROSYUIZXQYHP-UHFFFAOYSA-N 0 0 547.390 6.446 40 5 KKBBRN O=c1/c(=C\c2c3ccccc3cc3ccccc32)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000100958419 554541427 /nfs/dbraw/zinc/54/14/27/554541427.db2.gz NONKTBHTOJXYGB-OGMUYLFESA-N 0 0 526.686 6.687 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000100958427 554541445 /nfs/dbraw/zinc/54/14/45/554541445.db2.gz QEFSHYHSPJJGHV-QQMBNGEASA-N 0 0 620.618 6.067 40 5 KKBBRN Clc1ccc(-c2nc3nc(-c4ccc(Br)cc4)cc4c5ccccc5oc(n2)c34)c(Cl)c1 ZINC000101085667 554580501 /nfs/dbraw/zinc/58/05/01/554580501.db2.gz MJAUWKPBYNCSLE-UHFFFAOYSA-N 0 0 521.201 8.328 40 5 KKBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OC(=O)c4ccccc4)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C1=O ZINC000101111122 554641625 /nfs/dbraw/zinc/64/16/25/554641625.db2.gz WUEIGWUXFIVMAO-PKTNWEFCSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101118997 554643641 /nfs/dbraw/zinc/64/36/41/554643641.db2.gz HKAFWWXDHNSTMU-ZNZIZOMTSA-N 0 0 529.936 5.555 40 5 KKBBRN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101126941 554646017 /nfs/dbraw/zinc/64/60/17/554646017.db2.gz JUHLQQJCOCXAQM-PVHODMMVSA-N 0 0 531.565 5.224 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000101155294 554658656 /nfs/dbraw/zinc/65/86/56/554658656.db2.gz WHORAWYKUZATPJ-FCEKVYKBSA-N 0 0 549.539 5.174 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101242252 554693372 /nfs/dbraw/zinc/69/33/72/554693372.db2.gz VOSIDTGGCYSXFF-NJYVYQBISA-N 0 0 518.740 5.606 40 5 KKBBRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Oc1ccccc1 ZINC000101631717 554811735 /nfs/dbraw/zinc/81/17/35/554811735.db2.gz RTCRZNBDFJWQMU-QHCPKHFHSA-N 0 0 527.562 5.538 40 5 KKBBRN CN(c1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000101658587 554820276 /nfs/dbraw/zinc/82/02/76/554820276.db2.gz LLKZGKHPZYLOKV-UHFFFAOYSA-N 0 0 535.510 7.132 40 5 KKBBRN CCn1c(=N)c(-c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccc(C)cn1c2=O ZINC000101909851 554849501 /nfs/dbraw/zinc/84/95/01/554849501.db2.gz KRFKRSXEVZXODR-UHFFFAOYSA-N 0 0 546.656 5.808 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000102191043 554894124 /nfs/dbraw/zinc/89/41/24/554894124.db2.gz SHEJUFCNSNOQPC-VIJPYWPYSA-N 0 0 611.698 7.040 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000102556680 554964892 /nfs/dbraw/zinc/96/48/92/554964892.db2.gz PWBZMRUOQXZBRM-SDHSZQHLSA-N 0 0 582.407 5.206 40 5 KKBBRN Cc1ccccc1NC(=O)c1c(C)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1-c1ccc(C(C)C)cc1 ZINC000102609856 554980829 /nfs/dbraw/zinc/98/08/29/554980829.db2.gz AVIQCVDLMMIDCU-UHFFFAOYSA-N 0 0 564.667 7.677 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102744261 555035431 /nfs/dbraw/zinc/03/54/31/555035431.db2.gz XROAXZMEDVJKCF-ACRUOGEOSA-N 0 0 502.285 5.092 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102744269 555035544 /nfs/dbraw/zinc/03/55/44/555035544.db2.gz XROAXZMEDVJKCF-HKBOAZHASA-N 0 0 502.285 5.092 40 5 KKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102748476 555042569 /nfs/dbraw/zinc/04/25/69/555042569.db2.gz VFDJNELIPCLBFQ-GVAUOCQISA-N 0 0 550.354 6.213 40 5 KKBBRN C[C@H]1[C@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@]12CC[C@@H](C)CO2 ZINC000102812776 555075249 /nfs/dbraw/zinc/07/52/49/555075249.db2.gz ULNDHEVVJSRKCY-KTEUSOLJSA-N 0 0 509.643 6.317 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102872836 555103555 /nfs/dbraw/zinc/10/35/55/555103555.db2.gz ZOBFGCHQGWUOAD-VJGNERBWSA-N 0 0 606.012 5.067 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102896310 555135994 /nfs/dbraw/zinc/13/59/94/555135994.db2.gz LBNYTRPIGAZBEM-ULNSLHSMSA-N 0 0 579.565 5.182 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102896828 555136793 /nfs/dbraw/zinc/13/67/93/555136793.db2.gz BBUWHNWAKLCWMN-QKDODKLFSA-N 0 0 569.957 5.519 40 5 KKBBRN CCCCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060466 555241611 /nfs/dbraw/zinc/24/16/11/555241611.db2.gz ICZJZIATRJSWEA-PJERLBPMSA-N 0 0 611.698 7.184 40 5 KKBBRN CCCCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060451 555241658 /nfs/dbraw/zinc/24/16/58/555241658.db2.gz RTWWHVYTDFRGAQ-FFZMAEAUSA-N 0 0 625.725 7.574 40 5 KKBBRN CCCCOc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000103140174 555310008 /nfs/dbraw/zinc/31/00/08/555310008.db2.gz CMICDHUVEMGCEC-GCFVYEKYSA-N 0 0 537.572 5.046 40 5 KKBBRN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332736 555359698 /nfs/dbraw/zinc/35/96/98/555359698.db2.gz XNSAOEIVFPMTFN-XCKVCADESA-N 0 0 583.644 6.403 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103356423 555364040 /nfs/dbraw/zinc/36/40/40/555364040.db2.gz LYCCOGMSIYGCNJ-LYRGBEMXSA-N 0 0 584.437 5.273 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103531347 555431594 /nfs/dbraw/zinc/43/15/94/555431594.db2.gz QZCMMIUCUBLAPD-DZDVJMQSSA-N 0 0 576.008 6.230 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103542968 555439399 /nfs/dbraw/zinc/43/93/99/555439399.db2.gz BGAHJQLDWMQREK-MKYOLNSUSA-N 0 0 556.578 5.236 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000103546910 555441302 /nfs/dbraw/zinc/44/13/02/555441302.db2.gz CELMTJHKWOYMKC-YQQRZDPSSA-N 0 0 600.587 5.749 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103550163 555443019 /nfs/dbraw/zinc/44/30/19/555443019.db2.gz WPRUOCSKEYLTNL-XWJIURCXSA-N 0 0 571.589 5.460 40 5 KKBBRN O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103550594 555443388 /nfs/dbraw/zinc/44/33/88/555443388.db2.gz 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ZINC000104232427 571377591 /nfs/dbraw/zinc/37/75/91/571377591.db2.gz JAJRPBHWGBHNLZ-UHFFFAOYSA-N 0 0 561.598 7.152 40 5 KKBBRN COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2cccc([N+](=O)[O-])c2)c1 ZINC000104240806 571377689 /nfs/dbraw/zinc/37/76/89/571377689.db2.gz XVBBPKZFXQQXKW-UHFFFAOYSA-N 0 0 588.617 5.141 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)c(C)c1 ZINC000104329825 571379235 /nfs/dbraw/zinc/37/92/35/571379235.db2.gz SJJMIXDIJUGNSU-UHFFFAOYSA-N 0 0 538.608 6.612 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222665740 571381600 /nfs/dbraw/zinc/38/16/00/571381600.db2.gz HRASPZUTKWOBKW-HKBQPEDESA-N 0 0 709.619 5.256 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n31)c1ccccc1CC2 ZINC000104654957 571383522 /nfs/dbraw/zinc/38/35/22/571383522.db2.gz PCCQHFMQQLBLBI-DDIUQFJASA-N 0 0 575.646 5.804 40 5 KKBBRN 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571433887 /nfs/dbraw/zinc/43/38/87/571433887.db2.gz MITAIVJFWLJXTR-UHFFFAOYSA-N 0 0 545.621 5.490 40 5 KKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c(C)c1 ZINC000112229051 571433934 /nfs/dbraw/zinc/43/39/34/571433934.db2.gz QBMRSRGJPRMVMD-UHFFFAOYSA-N 0 0 545.621 5.292 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1Cl ZINC000112234942 571434724 /nfs/dbraw/zinc/43/47/24/571434724.db2.gz ARBSCKBYJOYSRZ-CSKARUKUSA-N 0 0 525.011 6.467 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223166919 571439606 /nfs/dbraw/zinc/43/96/06/571439606.db2.gz VLYDBJKKOGLRJS-FGZHOGPDSA-N 0 0 675.602 5.202 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223166978 571439627 /nfs/dbraw/zinc/43/96/27/571439627.db2.gz VLYDBJKKOGLRJS-FCHUYYIVSA-N 0 0 675.602 5.202 40 5 KKBBRN 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571517200 /nfs/dbraw/zinc/51/72/00/571517200.db2.gz JKDUVCMZFAACKV-YIECNSLDSA-N 0 0 630.078 5.782 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224302217 571517449 /nfs/dbraw/zinc/51/74/49/571517449.db2.gz SLZBVFMQKMSRLT-GDLZYMKVSA-N 0 0 657.189 5.627 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150496398 571517859 /nfs/dbraw/zinc/51/78/59/571517859.db2.gz NELIAFZQXAJDSF-HSZRJFAPSA-N 0 0 867.743 5.156 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150607010 571522729 /nfs/dbraw/zinc/52/27/29/571522729.db2.gz HQSJJFURKITBNC-RBMXVJLZSA-N 0 0 703.000 6.563 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224333044 571523807 /nfs/dbraw/zinc/52/38/07/571523807.db2.gz SLZOIGRXHVDFIM-MUUNZHRXSA-N 0 0 613.136 5.310 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224343351 571526536 /nfs/dbraw/zinc/52/65/36/571526536.db2.gz HWUIXNOBFJYZFI-LJAQVGFWSA-N 0 0 657.189 5.627 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224350685 571528246 /nfs/dbraw/zinc/52/82/46/571528246.db2.gz GWNJIRUVUDGEIF-JGCGQSQUSA-N 0 0 711.212 6.066 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000152151441 571529328 /nfs/dbraw/zinc/52/93/28/571529328.db2.gz UJEATFBRNLNGFN-UAMLYEQYSA-N 0 0 640.515 6.258 40 5 KKBBRN Cc1cc2c(cc1C)C1c3cc(C)c(C)cc3C2c2cc3cc4cc5c(cc4cc3cc21)C1c2cc(C)c(C)cc2C5c2cc(C)c(C)cc21 ZINC000153534263 571529537 /nfs/dbraw/zinc/52/95/37/571529537.db2.gz SEUAIFSSZRZFTH-UHFFFAOYSA-N 0 0 642.886 12.435 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161986313 571531989 /nfs/dbraw/zinc/53/19/89/571531989.db2.gz WLYNQEYGJMAHRQ-UHFFFAOYSA-N 0 0 669.076 6.387 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000163193012 571532666 /nfs/dbraw/zinc/53/26/66/571532666.db2.gz ZFWNXJKZOAJWGI-VSQRRKBNSA-N 0 0 680.580 6.577 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000163197668 571532776 /nfs/dbraw/zinc/53/27/76/571532776.db2.gz QLOBFEUKRKBPEH-FFWTUWPMSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000163213156 571533073 /nfs/dbraw/zinc/53/30/73/571533073.db2.gz XBHFEUVZNMCXKU-UAMLYEQYSA-N 0 0 640.515 6.258 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223725324 571533214 /nfs/dbraw/zinc/53/32/14/571533214.db2.gz PHSPDMRKTIEYCM-DEOSSOPVSA-N 0 0 560.434 5.065 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163226068 571533620 /nfs/dbraw/zinc/53/36/20/571533620.db2.gz CBTYJJKRKVOJLG-OIUASMPBSA-N 0 0 681.524 6.690 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163262529 571534356 /nfs/dbraw/zinc/53/43/56/571534356.db2.gz KRGACSSNSDPLKU-DBHVVYFFSA-N 0 0 759.476 7.340 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163268137 571534398 /nfs/dbraw/zinc/53/43/98/571534398.db2.gz QFXKQGPIRHQPFB-SELCLYCASA-N 0 0 626.090 6.158 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163274923 571534651 /nfs/dbraw/zinc/53/46/51/571534651.db2.gz JPAMBFFPDNVBIL-AHDXEZHLSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163282902 571534689 /nfs/dbraw/zinc/53/46/89/571534689.db2.gz IAFIBZJWVUCRAB-LKTSNFJKSA-N 0 0 742.857 8.369 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OC(=O)c6cccc([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163292299 571534968 /nfs/dbraw/zinc/53/49/68/571534968.db2.gz WEHGTHDBLSQMSJ-VNOBABJFSA-N 0 0 645.693 5.463 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163301236 571535115 /nfs/dbraw/zinc/53/51/15/571535115.db2.gz GUVKSNNREQDAQM-KFOJKGMOSA-N 0 0 632.654 5.936 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163306601 571535276 /nfs/dbraw/zinc/53/52/76/571535276.db2.gz QUVDOTWIGASXCW-SELCLYCASA-N 0 0 729.450 7.331 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2=N1 ZINC000163469539 571536093 /nfs/dbraw/zinc/53/60/93/571536093.db2.gz KOWPYIPQMCERCM-ITNAUSPISA-N 0 0 675.785 5.378 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163536450 571536535 /nfs/dbraw/zinc/53/65/35/571536535.db2.gz LHUANEMLDSPYTO-QYJHSCKRSA-N 0 0 635.673 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163551004 571536594 /nfs/dbraw/zinc/53/65/94/571536594.db2.gz BJWSDBPNTRDAJX-FUZBLHKMSA-N 0 0 699.716 6.355 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163552944 571536624 /nfs/dbraw/zinc/53/66/24/571536624.db2.gz UBFFDNFHSCOCIM-JESJEVRBSA-N 0 0 708.749 5.175 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 ZINC000163570263 571536915 /nfs/dbraw/zinc/53/69/15/571536915.db2.gz MYFNVHWRBABAFP-UHFFFAOYSA-N 0 0 635.696 7.295 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163620506 571537967 /nfs/dbraw/zinc/53/79/67/571537967.db2.gz ZWLLBTWJFLBSCZ-RWTNITNYSA-N 0 0 848.819 6.848 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224404784 571538903 /nfs/dbraw/zinc/53/89/03/571538903.db2.gz JAKMWCFLIAHTJK-FQEVSTJZSA-N 0 0 700.041 6.257 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223756634 571538924 /nfs/dbraw/zinc/53/89/24/571538924.db2.gz ZYTRSVXKYAZBIX-JGCGQSQUSA-N 0 0 709.221 5.545 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223756697 571539027 /nfs/dbraw/zinc/53/90/27/571539027.db2.gz ZYTRSVXKYAZBIX-YTTGMZPUSA-N 0 0 709.221 5.545 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000163649157 571539199 /nfs/dbraw/zinc/53/91/99/571539199.db2.gz DYPHDNFMAVESMA-SZYVSPPHSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163694595 571540340 /nfs/dbraw/zinc/54/03/40/571540340.db2.gz GMENUNHRNAPUJD-CBYYHRJHSA-N 0 0 678.472 6.135 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163707616 571541088 /nfs/dbraw/zinc/54/10/88/571541088.db2.gz MDQNZXWJNVODBL-MFCBUNOESA-N 0 0 632.676 5.129 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163738866 571542367 /nfs/dbraw/zinc/54/23/67/571542367.db2.gz LYPKHZIDSVTLNV-QYIOYSLNSA-N 0 0 666.668 5.569 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223778924 571542723 /nfs/dbraw/zinc/54/27/23/571542723.db2.gz MFIOJUALBKJLBQ-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc21 ZINC000163762438 571543015 /nfs/dbraw/zinc/54/30/15/571543015.db2.gz WNVIYFZUTLUVMT-QPKMOXKASA-N 0 0 651.744 6.968 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163778205 571543317 /nfs/dbraw/zinc/54/33/17/571543317.db2.gz OCFDRYISPAMXGC-VNOBABJFSA-N 0 0 665.749 5.312 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3Cc3ccccc3)cc2s1 ZINC000164035727 571544068 /nfs/dbraw/zinc/54/40/68/571544068.db2.gz KDJKDRAJYNHIRO-UHFFFAOYSA-N 0 0 654.799 7.543 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000164182173 571544415 /nfs/dbraw/zinc/54/44/15/571544415.db2.gz AXWHKFZRHYDLHG-OIUASMPBSA-N 0 0 722.614 5.845 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000164201024 571544990 /nfs/dbraw/zinc/54/49/90/571544990.db2.gz DEDBPNHILXOGEQ-FJNIOPPGSA-N 0 0 895.510 6.292 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224445001 571547545 /nfs/dbraw/zinc/54/75/45/571547545.db2.gz DVKUWYJWYJPXHX-RUZDIDTESA-N 0 0 607.516 5.040 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164508377 571548879 /nfs/dbraw/zinc/54/88/79/571548879.db2.gz LXXKJODRCXYWIK-CTHKJOMYSA-N 0 0 757.575 6.315 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164508247 571548885 /nfs/dbraw/zinc/54/88/85/571548885.db2.gz LXXKJODRCXYWIK-FABFSAKGSA-N 0 0 757.575 6.315 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223805186 571548965 /nfs/dbraw/zinc/54/89/65/571548965.db2.gz XZDBLHBAMWPDPM-KDYSTLNUSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164515403 571549042 /nfs/dbraw/zinc/54/90/42/571549042.db2.gz MQTSXWYJQJMWQC-GWXNNEATSA-N 0 0 661.736 5.822 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164534312 571549521 /nfs/dbraw/zinc/54/95/21/571549521.db2.gz NLDQYMSXPQRGMN-QZVQSRICSA-N 0 0 726.605 6.194 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164542901 571549641 /nfs/dbraw/zinc/54/96/41/571549641.db2.gz LJPBTWDVBPSLSU-HNVAQCFTSA-N 0 0 708.705 5.562 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164545573 571549829 /nfs/dbraw/zinc/54/98/29/571549829.db2.gz HBJWAORCUKBARL-DGVSTJFLSA-N 0 0 758.856 7.977 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164554477 571549972 /nfs/dbraw/zinc/54/99/72/571549972.db2.gz XYCNNVFNGJUAND-LLXISZFLSA-N 0 0 661.692 5.072 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224462565 571551575 /nfs/dbraw/zinc/55/15/75/571551575.db2.gz BCMRXIUMPUDYOJ-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000167678944 571552982 /nfs/dbraw/zinc/55/29/82/571552982.db2.gz ZCSWLDGGOCOHNR-SANMLTNESA-N 0 0 588.715 6.255 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223816122 571553957 /nfs/dbraw/zinc/55/39/57/571553957.db2.gz JSPIXBDORVHTAE-AFMDSPMNSA-N 0 0 542.463 5.999 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223817386 571554407 /nfs/dbraw/zinc/55/44/07/571554407.db2.gz QDPXPPOYZRQAAU-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223829904 571557848 /nfs/dbraw/zinc/55/78/48/571557848.db2.gz IXGAIIZKQBWRJA-MUUNZHRXSA-N 0 0 679.623 6.138 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223841223 571559827 /nfs/dbraw/zinc/55/98/27/571559827.db2.gz LUUYSABRLCZAJN-BCHFMIIMSA-N 0 0 588.488 5.844 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224497285 571560499 /nfs/dbraw/zinc/56/04/99/571560499.db2.gz FXOBJUUFZTUYKC-SANMLTNESA-N 0 0 574.530 6.301 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224502658 571561899 /nfs/dbraw/zinc/56/18/99/571561899.db2.gz IZNLVIWSOCHJME-HKBQPEDESA-N 0 0 683.614 6.263 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224507370 571562952 /nfs/dbraw/zinc/56/29/52/571562952.db2.gz UKZNWKTWYMUZCW-XZOQPEGZSA-N 0 0 520.412 5.720 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 ZINC000224516826 571564510 /nfs/dbraw/zinc/56/45/10/571564510.db2.gz UGSGRXRNBRBPIP-XZOQPEGZSA-N 0 0 521.396 6.189 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000197826108 571565170 /nfs/dbraw/zinc/56/51/70/571565170.db2.gz MTRKMBMXBLMWFW-UHFFFAOYSA-N 0 0 634.614 5.248 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223873717 571565799 /nfs/dbraw/zinc/56/57/99/571565799.db2.gz PGMPUVSWDMBBNX-QCBOHVIISA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223879701 571566851 /nfs/dbraw/zinc/56/68/51/571566851.db2.gz BRSHHTMMSBDDHM-CCLHPLFOSA-N 0 0 665.596 5.231 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223884234 571567803 /nfs/dbraw/zinc/56/78/03/571567803.db2.gz ZPJREEACVVDXSD-NRFANRHFSA-N 0 0 661.152 5.376 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC ZINC000205659231 571569568 /nfs/dbraw/zinc/56/95/68/571569568.db2.gz RNHDLMQKRHNLFA-WOJGMQOQSA-N 0 0 554.362 5.233 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000205663745 571569673 /nfs/dbraw/zinc/56/96/73/571569673.db2.gz GGUJQXOSCHFBSM-FOKLQQMPSA-N 0 0 528.945 6.211 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205679415 571569954 /nfs/dbraw/zinc/56/99/54/571569954.db2.gz DQDJMFJLCJLCEF-SRZZPIQSSA-N 0 0 638.721 7.589 40 5 KKBBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000205688457 571570048 /nfs/dbraw/zinc/57/00/48/571570048.db2.gz QGOHKVXHZHEQLI-HZHRSRAPSA-N 0 0 506.536 6.048 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000205699803 571570227 /nfs/dbraw/zinc/57/02/27/571570227.db2.gz LZJPJXUJTGQCOO-WSDLNYQXSA-N 0 0 636.851 6.677 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000205698982 571570246 /nfs/dbraw/zinc/57/02/46/571570246.db2.gz MIBHWNCFLIKYOD-DHRITJCHSA-N 0 0 626.485 6.237 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 ZINC000205760302 571570889 /nfs/dbraw/zinc/57/08/89/571570889.db2.gz FVJPJCRBMLSFBW-SRZZPIQSSA-N 0 0 603.350 6.136 40 5 KKBBRN COC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000205775145 571571085 /nfs/dbraw/zinc/57/10/85/571571085.db2.gz GCTYQJWVRSEDMM-FRKPEAEDSA-N 0 0 561.288 5.378 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205784628 571571245 /nfs/dbraw/zinc/57/12/45/571571245.db2.gz DBIGNQSIVWOTAY-RGVLZGJSSA-N 0 0 626.425 5.165 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224548539 571571988 /nfs/dbraw/zinc/57/19/88/571571988.db2.gz MDAHKBDIKVLFDS-NDEPHWFRSA-N 0 0 687.215 5.635 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000208358692 571573841 /nfs/dbraw/zinc/57/38/41/571573841.db2.gz SRBDFIUZBINZOY-YLKQWKBVSA-N 0 0 609.660 5.437 40 5 KKBBRN O=C(Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211508757 571576729 /nfs/dbraw/zinc/57/67/29/571576729.db2.gz ROCOCVDUKNEPLD-HYGONRKISA-N 0 0 667.747 7.958 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224569966 571576806 /nfs/dbraw/zinc/57/68/06/571576806.db2.gz PTEPQVDZYNDCQT-SANMLTNESA-N 0 0 665.596 5.231 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000214054894 571577175 /nfs/dbraw/zinc/57/71/75/571577175.db2.gz WGMXKJPIPQFHAK-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214048856 571577278 /nfs/dbraw/zinc/57/72/78/571577278.db2.gz JKKWHIGUMYHLER-CIAFOILYSA-N 0 0 507.480 5.540 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214049702 571577290 /nfs/dbraw/zinc/57/72/90/571577290.db2.gz NUJVTGXOXRFFKL-OEAKJJBVSA-N 0 0 616.433 6.414 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000214221701 571578036 /nfs/dbraw/zinc/57/80/36/571578036.db2.gz XTIZYIPFJZTSPB-UFFVCSGVSA-N 0 0 597.340 7.544 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214402327 571578945 /nfs/dbraw/zinc/57/89/45/571578945.db2.gz LLIZIQVIGKWCDE-AUEPDCJTSA-N 0 0 590.397 7.237 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214433244 571579247 /nfs/dbraw/zinc/57/92/47/571579247.db2.gz ZHQSMDTWGHWGFK-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214700428 571580555 /nfs/dbraw/zinc/58/05/55/571580555.db2.gz HNFZJUQWUQLBTK-DJKKODMXSA-N 0 0 509.754 7.052 40 5 KKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000224585136 571580651 /nfs/dbraw/zinc/58/06/51/571580651.db2.gz NVVCWFRSIYVAGH-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214715715 571580837 /nfs/dbraw/zinc/58/08/37/571580837.db2.gz GCRCPDATKSEQCS-KEBDBYFISA-N 0 0 532.361 6.334 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214814180 571581296 /nfs/dbraw/zinc/58/12/96/571581296.db2.gz RQDNJTCLGFFPBN-UFFVCSGVSA-N 0 0 546.344 6.839 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214819433 571581317 /nfs/dbraw/zinc/58/13/17/571581317.db2.gz PZAOUPHGDNKLGK-ZVBGSRNCSA-N 0 0 648.240 8.712 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214860082 571581597 /nfs/dbraw/zinc/58/15/97/571581597.db2.gz QDLJGMJDSWTCOL-VULFUBBASA-N 0 0 580.540 7.804 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214899642 571581730 /nfs/dbraw/zinc/58/17/30/571581730.db2.gz JFZDRPJSVDAYFX-ZVHZXABRSA-N 0 0 535.534 5.717 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000214902812 571581794 /nfs/dbraw/zinc/58/17/94/571581794.db2.gz SMSQTFHOOSPJKS-WYMPLXKRSA-N 0 0 559.427 7.116 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214913345 571581888 /nfs/dbraw/zinc/58/18/88/571581888.db2.gz YKIJICDJBQDMIW-FSJBWODESA-N 0 0 600.403 6.693 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214927828 571581963 /nfs/dbraw/zinc/58/19/63/571581963.db2.gz FOLFYHZOUZZWCB-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)c1 ZINC000214984428 571582413 /nfs/dbraw/zinc/58/24/13/571582413.db2.gz QLRIIYDFUSKAMI-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000215004077 571582436 /nfs/dbraw/zinc/58/24/36/571582436.db2.gz OAIIBEYQCOQBNW-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215007145 571582491 /nfs/dbraw/zinc/58/24/91/571582491.db2.gz XXAHVWPOMNCKEX-FSJBWODESA-N 0 0 566.504 5.839 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000215005852 571582554 /nfs/dbraw/zinc/58/25/54/571582554.db2.gz SBOMCGBJLIHHAH-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1Br ZINC000215094203 571582916 /nfs/dbraw/zinc/58/29/16/571582916.db2.gz BBDBRYCXVYMULE-VXLYETTFSA-N 0 0 519.760 6.507 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215113628 571583075 /nfs/dbraw/zinc/58/30/75/571583075.db2.gz ZZBPJCNGQMTLQP-LSFURLLWSA-N 0 0 559.915 6.333 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215209650 571583848 /nfs/dbraw/zinc/58/38/48/571583848.db2.gz DUXWWIDABVTMKT-SSDVNMTOSA-N 0 0 633.376 6.145 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215213162 571583852 /nfs/dbraw/zinc/58/38/52/571583852.db2.gz JJKYSKXTAZMROE-YDZHTSKRSA-N 0 0 602.406 6.024 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215220211 571584004 /nfs/dbraw/zinc/58/40/04/571584004.db2.gz XLWDAQIQENYZDZ-KTZMUZOWSA-N 0 0 633.860 6.564 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000215264203 571584289 /nfs/dbraw/zinc/58/42/89/571584289.db2.gz BMKZZZPPUZEZLE-KEBDBYFISA-N 0 0 515.906 5.820 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967554 571585453 /nfs/dbraw/zinc/58/54/53/571585453.db2.gz ZXPOJHPZPWJOEC-SKCUWOTOSA-N 0 0 549.693 5.391 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000215922195 571587856 /nfs/dbraw/zinc/58/78/56/571587856.db2.gz WAEZTZJRDQTMBJ-SSEXGKCCSA-N 0 0 594.089 5.975 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223988744 571589913 /nfs/dbraw/zinc/58/99/13/571589913.db2.gz XJULNXOEOXEZHM-OOXUFLSTSA-N 0 0 737.275 6.324 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000216006799 571591714 /nfs/dbraw/zinc/59/17/14/571591714.db2.gz RIDVYHFSDSBFMG-UHFFFAOYSA-N 0 0 615.708 6.274 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224647797 571594430 /nfs/dbraw/zinc/59/44/30/571594430.db2.gz GEWVRSWGOBTPDO-WDYNHAJCSA-N 0 0 533.613 6.750 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224649374 571594819 /nfs/dbraw/zinc/59/48/19/571594819.db2.gz YIUVKFXAWDJFEP-MHZLTWQESA-N 0 0 659.205 5.649 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224029732 571598155 /nfs/dbraw/zinc/59/81/55/571598155.db2.gz KLIJVRHTOMUMDJ-QFIPXVFZSA-N 0 0 673.188 5.245 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224685837 571603838 /nfs/dbraw/zinc/60/38/38/571603838.db2.gz CKNJUIDGETZDDP-AREMUKBSSA-N 0 0 679.623 5.994 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224066115 571605380 /nfs/dbraw/zinc/60/53/80/571605380.db2.gz ZHEBUOOAKWTQIO-CLJLJLNGSA-N 0 0 550.040 5.636 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224065906 571605405 /nfs/dbraw/zinc/60/54/05/571605405.db2.gz UNZGAGUMLIMTJJ-CLJLJLNGSA-N 0 0 550.040 5.636 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224072700 571606469 /nfs/dbraw/zinc/60/64/69/571606469.db2.gz FCELKBISWMBBES-SVBPBHIXSA-N 0 0 581.050 6.114 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224710118 571607898 /nfs/dbraw/zinc/60/78/98/571607898.db2.gz DWQCRCDMQUBHEO-HHHXNRCGSA-N 0 0 601.125 5.023 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224715657 571609110 /nfs/dbraw/zinc/60/91/10/571609110.db2.gz WHLWIYRUTBUBAX-KYJUHHDHSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224718306 571609693 /nfs/dbraw/zinc/60/96/93/571609693.db2.gz KBQQACKXWMAYAU-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000224104228 571610507 /nfs/dbraw/zinc/61/05/07/571610507.db2.gz XLCQEZOPSWDZDL-KAYWLYCHSA-N 0 0 540.649 5.861 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 ZINC000224111070 571611241 /nfs/dbraw/zinc/61/12/41/571611241.db2.gz JFZFDCICLOGRCM-VSGBNLITSA-N 0 0 571.659 6.338 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224725284 571611264 /nfs/dbraw/zinc/61/12/64/571611264.db2.gz JHORIGNZPAXXEQ-XZWHSSHBSA-N 0 0 548.624 7.528 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224112900 571611398 /nfs/dbraw/zinc/61/13/98/571611398.db2.gz SYYCIBXLDGADOL-MHZLTWQESA-N 0 0 519.667 5.303 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224739300 571612665 /nfs/dbraw/zinc/61/26/65/571612665.db2.gz QSBFNGKHQLAKOE-OAQYLSRUSA-N 0 0 643.560 5.029 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224757717 571614393 /nfs/dbraw/zinc/61/43/93/571614393.db2.gz LXQSZKIKMDCQQC-AREMUKBSSA-N 0 0 663.168 5.479 40 5 KKBBRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224763223 571614910 /nfs/dbraw/zinc/61/49/10/571614910.db2.gz KFLGCFJHWHZESS-AJQTZOPKSA-N 0 0 626.207 8.687 40 5 KKBBRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224763195 571614912 /nfs/dbraw/zinc/61/49/12/571614912.db2.gz KFLGCFJHWHZESS-ZWXJPIIXSA-N 0 0 626.207 8.687 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 ZINC000224763673 571614940 /nfs/dbraw/zinc/61/49/40/571614940.db2.gz RIRLOZZJBNJBCO-FIRIVFDPSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 ZINC000224766146 571615139 /nfs/dbraw/zinc/61/51/39/571615139.db2.gz JAKTZBHNBFRLRF-IHLOFXLRSA-N 0 0 581.723 7.378 40 5 KKBBRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224768059 571615276 /nfs/dbraw/zinc/61/52/76/571615276.db2.gz RFZXKDDAYCXKIX-CLJLJLNGSA-N 0 0 531.663 5.766 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 ZINC000224768409 571615286 /nfs/dbraw/zinc/61/52/86/571615286.db2.gz VRPBBOVLQJBATP-XDAJTCOGSA-N 0 0 557.701 6.299 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccco3)cc2)cc1 ZINC000224768475 571615308 /nfs/dbraw/zinc/61/53/08/571615308.db2.gz BCGLYOXTEJIAFQ-NSOVKSMOSA-N 0 0 553.669 6.761 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224768925 571615326 /nfs/dbraw/zinc/61/53/26/571615326.db2.gz GIXGKFVBWXDRAQ-MHZLTWQESA-N 0 0 519.667 5.301 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224768975 571615348 /nfs/dbraw/zinc/61/53/48/571615348.db2.gz GIXGKFVBWXDRAQ-HHHXNRCGSA-N 0 0 519.667 5.301 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C ZINC000224769456 571615404 /nfs/dbraw/zinc/61/54/04/571615404.db2.gz RHDOUGZMIMVBPG-CLJLJLNGSA-N 0 0 515.664 6.273 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 ZINC000224770176 571615476 /nfs/dbraw/zinc/61/54/76/571615476.db2.gz ILTXKZWXHYPGRE-KYJUHHDHSA-N 0 0 569.756 7.852 40 5 KKBBRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224770784 571615548 /nfs/dbraw/zinc/61/55/48/571615548.db2.gz RQURTGYTLUYPKQ-NSOVKSMOSA-N 0 0 559.717 6.383 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224771889 571615635 /nfs/dbraw/zinc/61/56/35/571615635.db2.gz MLEXGYADPMEIDK-QHCPKHFHSA-N 0 0 657.189 5.627 40 5 KKBBRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780273 571616354 /nfs/dbraw/zinc/61/63/54/571616354.db2.gz LZFXIOMGQZFGMV-IZZNHLLZSA-N 0 0 515.664 6.701 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C3CCCCC3)cc2)cc1 ZINC000224780510 571616391 /nfs/dbraw/zinc/61/63/91/571616391.db2.gz NYSLWRMDGUCEIA-FQLXRVMXSA-N 0 0 555.729 7.625 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 ZINC000224782002 571616549 /nfs/dbraw/zinc/61/65/49/571616549.db2.gz RWCKUJNFUJVZBO-VMPREFPWSA-N 0 0 567.671 7.248 40 5 KKBBRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl ZINC000224784469 571616813 /nfs/dbraw/zinc/61/68/13/571616813.db2.gz ZUIXCTFSAJYGLS-IHLOFXLRSA-N 0 0 598.153 8.071 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 ZINC000224784677 571616825 /nfs/dbraw/zinc/61/68/25/571616825.db2.gz JMFHUYZESSVXFD-IZLXSDGUSA-N 0 0 585.114 7.157 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 ZINC000224784763 571616853 /nfs/dbraw/zinc/61/68/53/571616853.db2.gz JMFHUYZESSVXFD-VSGBNLITSA-N 0 0 585.114 7.157 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 ZINC000224785636 571616954 /nfs/dbraw/zinc/61/69/54/571616954.db2.gz IAAPTYNSLMHDJV-VMPREFPWSA-N 0 0 550.665 7.578 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 ZINC000224787421 571617106 /nfs/dbraw/zinc/61/71/06/571617106.db2.gz QFQPHKLVNQIRGW-VMPREFPWSA-N 0 0 619.555 8.885 40 5 KKBBRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224788194 571617150 /nfs/dbraw/zinc/61/71/50/571617150.db2.gz PHTYVGMLGYKRIX-LOYHVIPDSA-N 0 0 599.137 8.540 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789857 571617337 /nfs/dbraw/zinc/61/73/37/571617337.db2.gz ZIVCEEJPYCEOLN-XZWHSSHBSA-N 0 0 625.688 7.495 40 5 KKBBRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl ZINC000224789559 571617344 /nfs/dbraw/zinc/61/73/44/571617344.db2.gz CCNKZDHHJSLUQV-LOYHVIPDSA-N 0 0 599.137 8.540 40 5 KKBBRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 ZINC000224793621 571617734 /nfs/dbraw/zinc/61/77/34/571617734.db2.gz LNKMRMBBAWCETI-KYJUHHDHSA-N 0 0 608.701 7.365 40 5 KKBBRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224793813 571617744 /nfs/dbraw/zinc/61/77/44/571617744.db2.gz DGKQMSRIYOAOKV-KYJUHHDHSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224795343 571617853 /nfs/dbraw/zinc/61/78/53/571617853.db2.gz SLZUNWRHSCXAMF-UMSFTDKQSA-N 0 0 654.789 5.797 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224795418 571617864 /nfs/dbraw/zinc/61/78/64/571617864.db2.gz LFSQZDATDNWMSS-QFIPXVFZSA-N 0 0 613.136 5.310 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224796080 571617935 /nfs/dbraw/zinc/61/79/35/571617935.db2.gz OOZBINUOMMYQHY-FQEVSTJZSA-N 0 0 651.569 5.357 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224803434 571618581 /nfs/dbraw/zinc/61/85/81/571618581.db2.gz RGOMHXVQHXEWAY-DHUJRADRSA-N 0 0 733.287 6.768 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224822139 571620383 /nfs/dbraw/zinc/62/03/83/571620383.db2.gz PBVLHNMFJARWAF-UHFFFAOYSA-N 0 0 515.547 5.713 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000224825961 571620822 /nfs/dbraw/zinc/62/08/22/571620822.db2.gz QBRGUZMRCLPRLI-LOSJGSFVSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224853575 571623416 /nfs/dbraw/zinc/62/34/16/571623416.db2.gz YZGXHLXAAQULEZ-BHVANESWSA-N 0 0 698.842 6.114 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224857767 571623824 /nfs/dbraw/zinc/62/38/24/571623824.db2.gz ASZOGYYFRPBSDE-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224860946 571624187 /nfs/dbraw/zinc/62/41/87/571624187.db2.gz LJXFOUUYOZIVAH-YTTGMZPUSA-N 0 0 727.667 6.579 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224885965 571626686 /nfs/dbraw/zinc/62/66/86/571626686.db2.gz PSTMBMMDHOQHCV-IBGZPJMESA-N 0 0 607.516 5.040 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224907620 571628817 /nfs/dbraw/zinc/62/88/17/571628817.db2.gz XVODGNSFEBMTRS-HKBQPEDESA-N 0 0 649.169 5.608 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224913820 571629292 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COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224975491 571635506 /nfs/dbraw/zinc/63/55/06/571635506.db2.gz QDGWREHLOIGNIB-RPWUZVMVSA-N 0 0 506.971 6.089 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000224996172 571637630 /nfs/dbraw/zinc/63/76/30/571637630.db2.gz GLSHOGKNICWMGE-WDYNHAJCSA-N 0 0 573.122 6.847 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225017915 571639344 /nfs/dbraw/zinc/63/93/44/571639344.db2.gz CCAPTKNGXSWLHZ-SSEXGKCCSA-N 0 0 636.771 5.363 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225031657 571640604 /nfs/dbraw/zinc/64/06/04/571640604.db2.gz PGUGUYQSOZUICN-DHIUTWEWSA-N 0 0 645.178 5.401 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225031707 571640687 /nfs/dbraw/zinc/64/06/87/571640687.db2.gz PGUGUYQSOZUICN-XZOQPEGZSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225057982 571642851 /nfs/dbraw/zinc/64/28/51/571642851.db2.gz VGWUZXCJIZTZRO-VWLOTQADSA-N 0 0 574.461 5.454 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225061990 571643252 /nfs/dbraw/zinc/64/32/52/571643252.db2.gz VNYDJJFMCRMFDF-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225064296 571643423 /nfs/dbraw/zinc/64/34/23/571643423.db2.gz TVPJZPJTTBBSQG-RUZDIDTESA-N 0 0 528.436 5.609 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225067338 571643712 /nfs/dbraw/zinc/64/37/12/571643712.db2.gz RIWGQGQKRGMFLP-WJOKGBTCSA-N 0 0 683.614 6.262 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225081433 571645443 /nfs/dbraw/zinc/64/54/43/571645443.db2.gz GZTYBHKALVHOGD-HKBQPEDESA-N 0 0 650.798 5.672 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225082310 571645504 /nfs/dbraw/zinc/64/55/04/571645504.db2.gz GDDBAMKNTJZRLR-CONSDPRKSA-N 0 0 590.665 5.975 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225104630 571647658 /nfs/dbraw/zinc/64/76/58/571647658.db2.gz GLFWIHCESRXIPD-PMERELPUSA-N 0 0 606.745 5.355 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225110120 571648325 /nfs/dbraw/zinc/64/83/25/571648325.db2.gz BZFVCYLQIZMCRV-VWLOTQADSA-N 0 0 574.461 5.454 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225111315 571648457 /nfs/dbraw/zinc/64/84/57/571648457.db2.gz OQQGOLKCZUUZPS-DHIUTWEWSA-N 0 0 645.178 5.401 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225113109 571648680 /nfs/dbraw/zinc/64/86/80/571648680.db2.gz ZBLSHGVNMUTDCV-BHVANESWSA-N 0 0 714.841 5.815 40 5 KKBBRN COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225116325 571648992 /nfs/dbraw/zinc/64/89/92/571648992.db2.gz UBPCTOYARRWMBZ-MHZLTWQESA-N 0 0 535.666 5.001 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225144894 571651789 /nfs/dbraw/zinc/65/17/89/571651789.db2.gz BYGSTWQURMGZOL-MUUNZHRXSA-N 0 0 705.661 6.670 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000225167493 571653960 /nfs/dbraw/zinc/65/39/60/571653960.db2.gz MMPQPQQBJVVKIJ-SVBPBHIXSA-N 0 0 526.622 5.615 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000225167402 571653990 /nfs/dbraw/zinc/65/39/90/571653990.db2.gz LGGJEPSXANOWBW-RRPNLBNLSA-N 0 0 526.622 5.615 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225172064 571654380 /nfs/dbraw/zinc/65/43/80/571654380.db2.gz YVVPQFKCCANSQC-PMERELPUSA-N 0 0 671.216 6.017 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000225175020 571654621 /nfs/dbraw/zinc/65/46/21/571654621.db2.gz JCHWLXBITAYJIK-SXOMAYOGSA-N 0 0 527.606 6.084 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000225175190 571654647 /nfs/dbraw/zinc/65/46/47/571654647.db2.gz YAXQQFANTVUTAR-SXOMAYOGSA-N 0 0 527.606 6.084 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225186301 571655816 /nfs/dbraw/zinc/65/58/16/571655816.db2.gz PNGVEBRWWDMGCX-FGZHOGPDSA-N 0 0 631.151 5.093 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000225203539 571657593 /nfs/dbraw/zinc/65/75/93/571657593.db2.gz WNHFLVGHXZDCBP-SXOMAYOGSA-N 0 0 543.605 5.784 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225203443 571657607 /nfs/dbraw/zinc/65/76/07/571657607.db2.gz MFSLHMPTXNFVGD-SFHVURJKSA-N 0 0 548.503 5.457 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225204445 571657720 /nfs/dbraw/zinc/65/77/20/571657720.db2.gz LKPUINMYBVGJKF-MUUNZHRXSA-N 0 0 689.206 6.156 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225204405 571657724 /nfs/dbraw/zinc/65/77/24/571657724.db2.gz LKPUINMYBVGJKF-NDEPHWFRSA-N 0 0 689.206 6.156 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225217261 571658918 /nfs/dbraw/zinc/65/89/18/571658918.db2.gz SDBNOTMAOVTWCW-NRFANRHFSA-N 0 0 710.047 5.857 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225220698 571659375 /nfs/dbraw/zinc/65/93/75/571659375.db2.gz KEACDCJUOGQUIK-QFIPXVFZSA-N 0 0 506.430 5.700 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225226079 571659938 /nfs/dbraw/zinc/65/99/38/571659938.db2.gz PJPSTMGHKICRPK-FTJBHMTQSA-N 0 0 529.578 5.012 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225243781 571661915 /nfs/dbraw/zinc/66/19/15/571661915.db2.gz NSDNVSPUFCFTMI-QFIPXVFZSA-N 0 0 552.455 5.545 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225250754 571662623 /nfs/dbraw/zinc/66/26/23/571662623.db2.gz XDEBTOGQEHVKQC-SSEXGKCCSA-N 0 0 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CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225718762 572046193 /nfs/dbraw/zinc/04/61/93/572046193.db2.gz FMBLNLQSFHXCNH-QRWLVFNGSA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225725425 572049130 /nfs/dbraw/zinc/04/91/30/572049130.db2.gz FVUYATOVOSXAJO-KSFYIVLOSA-N 0 0 526.486 5.857 40 5 KKBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225729593 572051070 /nfs/dbraw/zinc/05/10/70/572051070.db2.gz PJEZLOREKCPZHN-MHZLTWQESA-N 0 0 519.667 5.240 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225737636 572055375 /nfs/dbraw/zinc/05/53/75/572055375.db2.gz NQJICDWATNYKNM-XIFFEERXSA-N 0 0 707.249 6.173 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261074445 572072029 /nfs/dbraw/zinc/07/20/29/572072029.db2.gz QFDUYTQOERNWDD-YADHBBJMSA-N 0 0 675.602 5.202 40 5 KKBBRN CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225805746 572072725 /nfs/dbraw/zinc/07/27/25/572072725.db2.gz SNWHKPUWYGHZOM-RUZDIDTESA-N 0 0 567.664 5.306 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261091342 572082139 /nfs/dbraw/zinc/08/21/39/572082139.db2.gz UERJVTQZCKVEHQ-HPMVVLTCSA-N 0 0 741.694 6.969 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261108936 572093307 /nfs/dbraw/zinc/09/33/07/572093307.db2.gz XJULNXOEOXEZHM-SFRLIIPVSA-N 0 0 737.275 6.324 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261110346 572094275 /nfs/dbraw/zinc/09/42/75/572094275.db2.gz XQSRSIOWOVRHBY-SYBRLPANSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261117833 572098641 /nfs/dbraw/zinc/09/86/41/572098641.db2.gz YSOAHIYFRFLSPF-JQJBXXCASA-N 0 0 786.145 7.078 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]21 ZINC000226411525 572137685 /nfs/dbraw/zinc/13/76/85/572137685.db2.gz QGAMWNKSVGNEGX-MIOBSMODSA-N 0 0 558.974 6.099 40 5 KKBBRN CC(/C=C/C=C(C)/C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299888460 572141066 /nfs/dbraw/zinc/14/10/66/572141066.db2.gz KBPHJBAIARWVSC-VFMRPTSRSA-N 0 0 568.886 10.403 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 ZINC000230093289 572183217 /nfs/dbraw/zinc/18/32/17/572183217.db2.gz AVGYFSCQMANWHE-NFAPWKBDSA-N 0 0 543.620 5.146 40 5 KKBBRN CCOC(=O)CCc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5CC)c(CC)c4C)c(C)c3C ZINC000238791292 572188179 /nfs/dbraw/zinc/18/81/79/572188179.db2.gz LKOHZMIJFYUDND-UHFFFAOYSA-N 0 0 536.720 8.033 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc21 ZINC000408541016 572207579 /nfs/dbraw/zinc/20/75/79/572207579.db2.gz AUKLYOTWVLFYRT-QXMHVHEDSA-N 0 0 556.356 6.797 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000408541728 572209385 /nfs/dbraw/zinc/20/93/85/572209385.db2.gz FNKOZSWJEAZKMH-POHAHGRESA-N 0 0 516.348 5.467 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1[N+](=O)[O-] ZINC000408542580 572210736 /nfs/dbraw/zinc/21/07/36/572210736.db2.gz KGEDNVVONZSUBR-DJWKRKHSSA-N 0 0 563.029 7.472 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1 ZINC000408543259 572212261 /nfs/dbraw/zinc/21/22/61/572212261.db2.gz OOOWAXLQJLJSEE-KTKRTIGZSA-N 0 0 506.296 5.644 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408544279 572215129 /nfs/dbraw/zinc/21/51/29/572215129.db2.gz DSJHUWJVJXPLFM-UHFFFAOYSA-N 0 0 572.416 5.797 40 5 KKBBRN Cc1noc(/C=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1[N+](=O)[O-] ZINC000408544539 572215829 /nfs/dbraw/zinc/21/58/29/572215829.db2.gz UOYHEIFCGHNIBX-UTCJRWHESA-N 0 0 514.210 6.543 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408554204 572241743 /nfs/dbraw/zinc/24/17/43/572241743.db2.gz BVMVRXYFAZBMHC-UHFFFAOYSA-N 0 0 581.794 5.881 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408555695 572243203 /nfs/dbraw/zinc/24/32/03/572243203.db2.gz HZBPFFHHAZHFIJ-UHFFFAOYSA-N 0 0 526.214 7.254 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408556100 572243407 /nfs/dbraw/zinc/24/34/07/572243407.db2.gz HQFKSJHHBREVEU-UHFFFAOYSA-N 0 0 601.635 7.485 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408556207 572243735 /nfs/dbraw/zinc/24/37/35/572243735.db2.gz IZWSZZQPGOZFQY-UHFFFAOYSA-N 0 0 522.193 6.320 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 ZINC000408556711 572244287 /nfs/dbraw/zinc/24/42/87/572244287.db2.gz LFOMNQKVEXFZAW-UHFFFAOYSA-N 0 0 504.324 5.789 40 5 KKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408556929 572244451 /nfs/dbraw/zinc/24/44/51/572244451.db2.gz KYOFKBPPKURPLU-HSZRJFAPSA-N 0 0 538.931 7.237 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc21 ZINC000408557495 572244908 /nfs/dbraw/zinc/24/49/08/572244908.db2.gz NXGDFORCXHHPLE-UHFFFAOYSA-N 0 0 554.384 6.942 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408560650 572247710 /nfs/dbraw/zinc/24/77/10/572247710.db2.gz DTXUSSRLUIUJPK-FLFQWRMESA-N 0 0 508.825 6.254 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563301 572249028 /nfs/dbraw/zinc/24/90/28/572249028.db2.gz AEQLRBGFNFJSML-GQEWQHDVSA-N 0 0 592.490 5.790 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563852 572249771 /nfs/dbraw/zinc/24/97/71/572249771.db2.gz BFDUCDPNERUGEN-KLPDMWAPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408564767 572250802 /nfs/dbraw/zinc/25/08/02/572250802.db2.gz ABDKAGRLROYENX-DEOSSOPVSA-N 0 0 654.370 7.351 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564756 572250810 /nfs/dbraw/zinc/25/08/10/572250810.db2.gz FTZSNZBQWLIBQL-FODJJAHYSA-N 0 0 512.393 5.403 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408564765 572250822 /nfs/dbraw/zinc/25/08/22/572250822.db2.gz AAYKVIZBGIBPFQ-SANMLTNESA-N 0 0 522.602 6.111 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564758 572250912 /nfs/dbraw/zinc/25/09/12/572250912.db2.gz FTZSNZBQWLIBQL-SQOVJYTMSA-N 0 0 512.393 5.403 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408564856 572251031 /nfs/dbraw/zinc/25/10/31/572251031.db2.gz AOMZNPGOFKHBEA-SANMLTNESA-N 0 0 522.602 6.029 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408564804 572251090 /nfs/dbraw/zinc/25/10/90/572251090.db2.gz AITXFGHPTKKTAB-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408564851 572251095 /nfs/dbraw/zinc/25/10/95/572251095.db2.gz AOKLGLOMFXZHJR-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564927 572251186 /nfs/dbraw/zinc/25/11/86/572251186.db2.gz GMCTUMQBNQZORO-IPEONRORSA-N 0 0 542.419 5.493 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564920 572251206 /nfs/dbraw/zinc/25/12/06/572251206.db2.gz GLAVBDWTEHOVSO-WSNNEZGNSA-N 0 0 516.356 5.233 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564928 572251241 /nfs/dbraw/zinc/25/12/41/572251241.db2.gz GMCTUMQBNQZORO-OTGIWPJISA-N 0 0 542.419 5.493 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408565005 572251525 /nfs/dbraw/zinc/25/15/25/572251525.db2.gz AYGIVLBZTVPVAX-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN Cc1ccc(COc2ccc([C@H]3C([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565011 572251526 /nfs/dbraw/zinc/25/15/26/572251526.db2.gz HCAQSLFQIVOPEH-JGDRUYDSSA-N 0 0 548.437 5.391 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000408565108 572251843 /nfs/dbraw/zinc/25/18/43/572251843.db2.gz BEPKSQQSZLSLAJ-QHCPKHFHSA-N 0 0 570.425 5.936 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565342 572252448 /nfs/dbraw/zinc/25/24/48/572252448.db2.gz BTADWTYYZAFWMK-XMMPIXPASA-N 0 0 621.916 7.219 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408565448 572252626 /nfs/dbraw/zinc/25/26/26/572252626.db2.gz BXDLVJSPLSVEPR-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565452 572252673 /nfs/dbraw/zinc/25/26/73/572252673.db2.gz KTNWDKGOXZTCTO-ZVFGGPEJSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565480 572252821 /nfs/dbraw/zinc/25/28/21/572252821.db2.gz KZDXQLBCJWKYMY-SQOVJYTMSA-N 0 0 528.392 5.103 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000408565586 572252945 /nfs/dbraw/zinc/25/29/45/572252945.db2.gz CLCJPCGKQAYUBX-HHHXNRCGSA-N 0 0 569.083 6.716 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000408565634 572252947 /nfs/dbraw/zinc/25/29/47/572252947.db2.gz CPCDOWCAJZEZTC-SANMLTNESA-N 0 0 603.528 7.369 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565706 572253038 /nfs/dbraw/zinc/25/30/38/572253038.db2.gz LTIXNVKCZXXZOM-NUWWLQTNSA-N 0 0 582.426 5.230 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408565731 572253046 /nfs/dbraw/zinc/25/30/46/572253046.db2.gz CXZGMWNMEPZRQI-QHCPKHFHSA-N 0 0 545.448 6.580 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408565718 572253070 /nfs/dbraw/zinc/25/30/70/572253070.db2.gz CWNLGSAXTOSEPW-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408565751 572253197 /nfs/dbraw/zinc/25/31/97/572253197.db2.gz CZVZXIBWFJOKOQ-XMMPIXPASA-N 0 0 512.994 6.366 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(C)c(C)c1 ZINC000408565974 572253339 /nfs/dbraw/zinc/25/33/39/572253339.db2.gz DLFZIIICGZWLTI-VWLOTQADSA-N 0 0 598.479 6.552 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 ZINC000408566201 572253491 /nfs/dbraw/zinc/25/34/91/572253491.db2.gz FAUOOMZYPFMVST-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408566072 572253514 /nfs/dbraw/zinc/25/35/14/572253514.db2.gz DTGOJAOURKRFSN-QHCPKHFHSA-N 0 0 612.308 7.473 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408566254 572253547 /nfs/dbraw/zinc/25/35/47/572253547.db2.gz FETIFQABXQSVRC-QHCPKHFHSA-N 0 0 600.451 5.944 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(C)c(C)c1 ZINC000408566281 572253611 /nfs/dbraw/zinc/25/36/11/572253611.db2.gz FFOPKAOIBDXHIV-RUZDIDTESA-N 0 0 553.482 6.644 40 5 KKBBRN COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408566715 572253834 /nfs/dbraw/zinc/25/38/34/572253834.db2.gz FZVUSGLWFYOTTG-HXUWFJFHSA-N 0 0 507.410 5.082 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1cccc(C)c1 ZINC000408566743 572253854 /nfs/dbraw/zinc/25/38/54/572253854.db2.gz GALQXNUOLOREHI-NDEPHWFRSA-N 0 0 510.619 6.726 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408566740 572253896 /nfs/dbraw/zinc/25/38/96/572253896.db2.gz GAJNQVWTRYVMBI-VWLOTQADSA-N 0 0 525.030 6.317 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408566670 572253919 /nfs/dbraw/zinc/25/39/19/572253919.db2.gz FYEYALBDUAABQL-VWLOTQADSA-N 0 0 543.476 7.188 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408566801 572253998 /nfs/dbraw/zinc/25/39/98/572253998.db2.gz GETKPMPZNPSWJL-AREMUKBSSA-N 0 0 599.507 6.435 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OCC)c(OC)cc2Br)cc1 ZINC000408566795 572254031 /nfs/dbraw/zinc/25/40/31/572254031.db2.gz GDRQVUJZSKSNPE-OAQYLSRUSA-N 0 0 537.436 5.254 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408566779 572254062 /nfs/dbraw/zinc/25/40/62/572254062.db2.gz GDDXDIAVVCWBCO-RUZDIDTESA-N 0 0 662.404 7.497 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408567140 572254156 /nfs/dbraw/zinc/25/41/56/572254156.db2.gz GOZJQPLGIKPKOL-QHCPKHFHSA-N 0 0 579.893 7.234 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408567154 572254167 /nfs/dbraw/zinc/25/41/67/572254167.db2.gz GQBPJFOOWMWVEE-XMMPIXPASA-N 0 0 648.377 7.189 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408567149 572254168 /nfs/dbraw/zinc/25/41/68/572254168.db2.gz GPHUWRVKXXGELD-AREMUKBSSA-N 0 0 613.534 6.743 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408567101 572254199 /nfs/dbraw/zinc/25/41/99/572254199.db2.gz PRACVQBCOJXTSN-UUNMANHLSA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408567639 572254386 /nfs/dbraw/zinc/25/43/86/572254386.db2.gz HATZERAAHOGSLS-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567242 572254360 /nfs/dbraw/zinc/25/43/60/572254360.db2.gz QNFPHUBHZDBAOU-BQVXCWBNSA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000408567615 572254397 /nfs/dbraw/zinc/25/43/97/572254397.db2.gz GYORCFGJQQCPCV-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000408567608 572254476 /nfs/dbraw/zinc/25/44/76/572254476.db2.gz GYOLOGHDVTZERT-DEOSSOPVSA-N 0 0 624.344 7.343 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408567824 572254592 /nfs/dbraw/zinc/25/45/92/572254592.db2.gz RNTMZVKLRXEXAA-SIJZCSJPSA-N 0 0 596.453 5.620 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567839 572254596 /nfs/dbraw/zinc/25/45/96/572254596.db2.gz RWTQFOJXPRQGPQ-DNKZPPIMSA-N 0 0 570.415 5.088 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567810 572254601 /nfs/dbraw/zinc/25/46/01/572254601.db2.gz RJQDBXVIJFBWEO-XRHWURSXSA-N 0 0 558.432 5.703 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408568099 572254669 /nfs/dbraw/zinc/25/46/69/572254669.db2.gz HQSZTCVTOYJNNM-SANMLTNESA-N 0 0 571.074 7.073 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 ZINC000408568230 572254824 /nfs/dbraw/zinc/25/48/24/572254824.db2.gz SMPCYRLBHZXDKQ-YUHKXCSQSA-N 0 0 552.400 5.222 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccccc1 ZINC000408568629 572255010 /nfs/dbraw/zinc/25/50/10/572255010.db2.gz IDARJRKAJYCGEP-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568385 572255021 /nfs/dbraw/zinc/25/50/21/572255021.db2.gz UFAKGGMKOWJYIE-XABOBXATSA-N 0 0 564.436 5.091 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@H]3C([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568396 572255052 /nfs/dbraw/zinc/25/50/52/572255052.db2.gz UHEFEKKQDLUNOE-AFUCOJPPSA-N 0 0 538.431 5.935 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568380 572255055 /nfs/dbraw/zinc/25/50/55/572255055.db2.gz UFAKGGMKOWJYIE-BQGAEBSMSA-N 0 0 564.436 5.091 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1cccc(C)c1 ZINC000408568695 572255167 /nfs/dbraw/zinc/25/51/67/572255167.db2.gz IJCSBGZUWPGBIN-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408568653 572255194 /nfs/dbraw/zinc/25/51/94/572255194.db2.gz IDUUYHNRCHFCFE-SANMLTNESA-N 0 0 631.980 7.696 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569171 572255413 /nfs/dbraw/zinc/25/54/13/572255413.db2.gz JAUSVSFMADEGCW-DEOSSOPVSA-N 0 0 587.471 6.565 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408569075 572255430 /nfs/dbraw/zinc/25/54/30/572255430.db2.gz IPZOGDYWZZMFAX-VWLOTQADSA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408569089 572255458 /nfs/dbraw/zinc/25/54/58/572255458.db2.gz ITKWMABFBFRJFT-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408569140 572255461 /nfs/dbraw/zinc/25/54/61/572255461.db2.gz IYOCXXJHYIHKKV-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569423 572255756 /nfs/dbraw/zinc/25/57/56/572255756.db2.gz WSKZHHJKSHZXPQ-PKIMSIDOSA-N 0 0 588.458 5.712 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408569865 572256038 /nfs/dbraw/zinc/25/60/38/572256038.db2.gz JZJACNYSBDMRIX-QHCPKHFHSA-N 0 0 560.419 6.480 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408569988 572256210 /nfs/dbraw/zinc/25/62/10/572256210.db2.gz KMSXQUSGWZTZHT-SFHVURJKSA-N 0 0 550.236 7.233 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000408569943 572256232 /nfs/dbraw/zinc/25/62/32/572256232.db2.gz KIFXWHWHOVTQNQ-HSZRJFAPSA-N 0 0 604.870 6.589 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 ZINC000408570114 572256320 /nfs/dbraw/zinc/25/63/20/572256320.db2.gz ZDRAXMIFDRZPFH-UQBYDPJISA-N 0 0 507.949 5.113 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570115 572256361 /nfs/dbraw/zinc/25/63/61/572256361.db2.gz ZDRAXMIFDRZPFH-YUHKXCSQSA-N 0 0 507.949 5.113 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408570368 572256394 /nfs/dbraw/zinc/25/63/94/572256394.db2.gz LDTUOSVOCCRIHM-LJAQVGFWSA-N 0 0 558.635 6.956 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000408570341 572256396 /nfs/dbraw/zinc/25/63/96/572256396.db2.gz KZLTXWISKQJQRA-HSZRJFAPSA-N 0 0 559.873 6.681 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000408570342 572256422 /nfs/dbraw/zinc/25/64/22/572256422.db2.gz KZLTXWISKQJQRA-QHCPKHFHSA-N 0 0 559.873 6.681 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408570281 572256443 /nfs/dbraw/zinc/25/64/43/572256443.db2.gz KSCKKKJIFSDLMR-QHCPKHFHSA-N 0 0 559.873 6.681 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408570284 572256463 /nfs/dbraw/zinc/25/64/63/572256463.db2.gz KTHVXEJDNVBWTN-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408570589 572256475 /nfs/dbraw/zinc/25/64/75/572256475.db2.gz LLSLMMLMSFNQCG-DEOSSOPVSA-N 0 0 600.451 5.944 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000408570692 572256546 /nfs/dbraw/zinc/25/65/46/572256546.db2.gz LWTQGIQUYBWTPO-RUZDIDTESA-N 0 0 600.053 6.234 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408570904 572256591 /nfs/dbraw/zinc/25/65/91/572256591.db2.gz MGOYSLSFHYYKCO-VWLOTQADSA-N 0 0 603.926 7.079 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408570870 572256611 /nfs/dbraw/zinc/25/66/11/572256611.db2.gz MCRUSPXMDNRXJJ-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000408570928 572256613 /nfs/dbraw/zinc/25/66/13/572256613.db2.gz MJSXPNOCXXOKPP-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408570920 572256620 /nfs/dbraw/zinc/25/66/20/572256620.db2.gz MIBVMYUGSGMCET-VWLOTQADSA-N 0 0 614.478 6.334 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 ZINC000408570910 572256625 /nfs/dbraw/zinc/25/66/25/572256625.db2.gz MHPOMAZCZDYYTK-MHZLTWQESA-N 0 0 534.638 5.981 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408571046 572256681 /nfs/dbraw/zinc/25/66/81/572256681.db2.gz NAKODEFGYOMNTR-QHCPKHFHSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000408571020 572256712 /nfs/dbraw/zinc/25/67/12/572256712.db2.gz MVINGLPCNKGRMA-AREMUKBSSA-N 0 0 504.612 5.972 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408571126 572256824 /nfs/dbraw/zinc/25/68/24/572256824.db2.gz NSDGCZDBBRWNAE-DEOSSOPVSA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408571184 572256944 /nfs/dbraw/zinc/25/69/44/572256944.db2.gz OBPKGSSETNEIDI-OAQYLSRUSA-N 0 0 574.269 7.079 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000408571132 572256844 /nfs/dbraw/zinc/25/68/44/572256844.db2.gz NSSNYGDNHGQGJU-HHHXNRCGSA-N 0 0 553.084 6.934 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000408571133 572256855 /nfs/dbraw/zinc/25/68/55/572256855.db2.gz NSSNYGDNHGQGJU-MHZLTWQESA-N 0 0 553.084 6.934 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571174 572256949 /nfs/dbraw/zinc/25/69/49/572256949.db2.gz NZORRNMEGPGJLR-XMMPIXPASA-N 0 0 621.916 7.219 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571356 572257080 /nfs/dbraw/zinc/25/70/80/572257080.db2.gz OMOOURROIYKTLQ-QHCPKHFHSA-N 0 0 589.899 6.689 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408571515 572257155 /nfs/dbraw/zinc/25/71/55/572257155.db2.gz OUIWSNHTCBKSLR-DEOSSOPVSA-N 0 0 561.466 7.328 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408571653 572257262 /nfs/dbraw/zinc/25/72/62/572257262.db2.gz PJWBUJPZCZWFOS-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408571663 572257306 /nfs/dbraw/zinc/25/73/06/572257306.db2.gz PLDRTKBZGDLKHY-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571842 572257341 /nfs/dbraw/zinc/25/73/41/572257341.db2.gz PRVUECSQGUOHLY-XMMPIXPASA-N 0 0 540.001 6.135 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571851 572257345 /nfs/dbraw/zinc/25/73/45/572257345.db2.gz PSAIJSPJNQYRNG-VWLOTQADSA-N 0 0 652.398 8.041 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408571838 572257370 /nfs/dbraw/zinc/25/73/70/572257370.db2.gz PRBNEPWODJBZAS-DEOSSOPVSA-N 0 0 638.371 7.733 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408571936 572257409 /nfs/dbraw/zinc/25/74/09/572257409.db2.gz QAIYJPZYCRJPLY-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571899 572257439 /nfs/dbraw/zinc/25/74/39/572257439.db2.gz PUTBXPZSTHJUJD-RUZDIDTESA-N 0 0 652.398 7.960 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 ZINC000408572000 572257487 /nfs/dbraw/zinc/25/74/87/572257487.db2.gz QIDQKEHFBXIHOE-XMMPIXPASA-N 0 0 512.538 5.552 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408572091 572257540 /nfs/dbraw/zinc/25/75/40/572257540.db2.gz QPIGCNWZCGYNJO-RUZDIDTESA-N 0 0 601.498 6.792 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1 ZINC000408572115 572257558 /nfs/dbraw/zinc/25/75/58/572257558.db2.gz QQSHBDGMUXRAAR-OAQYLSRUSA-N 0 0 513.363 6.456 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000408572385 572257837 /nfs/dbraw/zinc/25/78/37/572257837.db2.gz QZYPYELLDRUXMV-VWLOTQADSA-N 0 0 678.403 7.197 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408572669 572257986 /nfs/dbraw/zinc/25/79/86/572257986.db2.gz RRYJBXQLRMPNJK-HSZRJFAPSA-N 0 0 547.439 7.019 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408573018 572258469 /nfs/dbraw/zinc/25/84/69/572258469.db2.gz SEZBGVQDCCQBHI-AREMUKBSSA-N 0 0 631.980 7.696 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408573025 572258505 /nfs/dbraw/zinc/25/85/05/572258505.db2.gz SFBYZVXJYJKKOD-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408573445 572258880 /nfs/dbraw/zinc/25/88/80/572258880.db2.gz SWLZJPDXQSRURI-MUUNZHRXSA-N 0 0 526.618 6.427 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573512 572258900 /nfs/dbraw/zinc/25/89/00/572258900.db2.gz TTYBNAQNKKKONR-MUUNZHRXSA-N 0 0 619.541 7.498 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408573546 572258954 /nfs/dbraw/zinc/25/89/54/572258954.db2.gz TUUAWPCRAKRDKK-HSZRJFAPSA-N 0 0 652.340 6.938 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408573589 572258983 /nfs/dbraw/zinc/25/89/83/572258983.db2.gz TXIGWPVKBKGDEE-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408573655 572259055 /nfs/dbraw/zinc/25/90/55/572259055.db2.gz UACDBHXZQDKCTC-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408573930 572259191 /nfs/dbraw/zinc/25/91/91/572259191.db2.gz UEHOCFUMKWATKC-XMMPIXPASA-N 0 0 614.478 6.253 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000408574077 572259253 /nfs/dbraw/zinc/25/92/53/572259253.db2.gz UOVSVNUSQYQIOQ-RUZDIDTESA-N 0 0 557.047 6.764 40 5 KKBBRN COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408574453 572259574 /nfs/dbraw/zinc/25/95/74/572259574.db2.gz UVJLYOIKPOKPIA-SFHVURJKSA-N 0 0 513.801 5.119 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408574503 572259784 /nfs/dbraw/zinc/25/97/84/572259784.db2.gz UZFKWTZJPODBLU-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408575400 572260471 /nfs/dbraw/zinc/26/04/71/572260471.db2.gz WDENZCOQLBMJLV-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000408575382 572260503 /nfs/dbraw/zinc/26/05/03/572260503.db2.gz WBOVNCOMHIOVGZ-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408576066 572260987 /nfs/dbraw/zinc/26/09/87/572260987.db2.gz XGURACHIIMAIJJ-XMMPIXPASA-N 0 0 575.474 6.589 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1cccc(C)c1 ZINC000408576069 572261071 /nfs/dbraw/zinc/26/10/71/572261071.db2.gz XHHBIMPDNXDLDK-MUUNZHRXSA-N 0 0 589.515 7.489 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408576172 572261083 /nfs/dbraw/zinc/26/10/83/572261083.db2.gz XNCUQZBRASTPST-SANMLTNESA-N 0 0 583.508 6.734 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408576500 572261265 /nfs/dbraw/zinc/26/12/65/572261265.db2.gz XNDYLXIOYOOZJB-SSEXGKCCSA-N 0 0 554.672 7.043 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408576620 572261338 /nfs/dbraw/zinc/26/13/38/572261338.db2.gz XWBVXVQWXQNLAZ-VWLOTQADSA-N 0 0 569.481 6.344 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408576616 572261343 /nfs/dbraw/zinc/26/13/43/572261343.db2.gz XWBVXVQWXQNLAZ-RUZDIDTESA-N 0 0 569.481 6.344 40 5 KKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408576568 572261348 /nfs/dbraw/zinc/26/13/48/572261348.db2.gz XSIGNTCNCVAMHZ-DEOSSOPVSA-N 0 0 501.380 7.071 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408576725 572261395 /nfs/dbraw/zinc/26/13/95/572261395.db2.gz YFBWPTQAZJOAIN-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000408577031 572261661 /nfs/dbraw/zinc/26/16/61/572261661.db2.gz ZKOVLGHHPDZYJR-UHFFFAOYSA-N 0 0 518.353 5.301 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCC ZINC000408577028 572261685 /nfs/dbraw/zinc/26/16/85/572261685.db2.gz YKJJMICATKNSTB-HXUWFJFHSA-N 0 0 521.437 5.554 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC ZINC000408577212 572261875 /nfs/dbraw/zinc/26/18/75/572261875.db2.gz YSWKILGVFKGZBP-NRFANRHFSA-N 0 0 537.436 5.254 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408577409 572261981 /nfs/dbraw/zinc/26/19/81/572261981.db2.gz ZJFQHTKEBGJOHE-DEOSSOPVSA-N 0 0 603.470 6.184 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000408577377 572262005 /nfs/dbraw/zinc/26/20/05/572262005.db2.gz ZCNSJVJWMZIZII-SANMLTNESA-N 0 0 520.611 5.672 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)nc1 ZINC000408581947 572264638 /nfs/dbraw/zinc/26/46/38/572264638.db2.gz BDBFEYUZGNGYAX-UHFFFAOYSA-N 0 0 545.216 6.185 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000408583255 572265293 /nfs/dbraw/zinc/26/52/93/572265293.db2.gz SWZXTETYWCSMAX-UHFFFAOYSA-N 0 0 543.321 5.573 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000408586630 572266312 /nfs/dbraw/zinc/26/63/12/572266312.db2.gz OIQSRKVGWNLGKW-UHFFFAOYSA-N 0 0 542.828 5.693 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000408602299 572273244 /nfs/dbraw/zinc/27/32/44/572273244.db2.gz BNIBKRVJQIVHFB-VZUCSPMQSA-N 0 0 507.421 5.376 40 5 KKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1 ZINC000408603905 572273813 /nfs/dbraw/zinc/27/38/13/572273813.db2.gz CAODYNRIKRMCTD-UHFFFAOYSA-N 0 0 510.157 6.450 40 5 KKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408603945 572273817 /nfs/dbraw/zinc/27/38/17/572273817.db2.gz CGAWXRKGJGWGAL-UHFFFAOYSA-N 0 0 542.732 6.192 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613170 572277100 /nfs/dbraw/zinc/27/71/00/572277100.db2.gz XTUHOTNCARSLPN-UHFFFAOYSA-N 0 0 549.321 5.697 40 5 KKBBRN COc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408617800 572279787 /nfs/dbraw/zinc/27/97/87/572279787.db2.gz JTYWJYJOJVGWFH-UHFFFAOYSA-N 0 0 545.617 5.013 40 5 KKBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000408628454 572284822 /nfs/dbraw/zinc/28/48/22/572284822.db2.gz XNVNWPWRDPOFEC-UHFFFAOYSA-N 0 0 697.166 5.389 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000408637224 572294171 /nfs/dbraw/zinc/29/41/71/572294171.db2.gz HUUJBFWOYUDAHU-FQEVSTJZSA-N 0 0 516.550 5.464 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 ZINC000408637637 572294529 /nfs/dbraw/zinc/29/45/29/572294529.db2.gz MDZMUMRPJJAYND-SANMLTNESA-N 0 0 636.657 6.817 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 ZINC000408637691 572294549 /nfs/dbraw/zinc/29/45/49/572294549.db2.gz NBFFHQIJOVFZMI-DEOSSOPVSA-N 0 0 608.647 7.256 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408638039 572294818 /nfs/dbraw/zinc/29/48/18/572294818.db2.gz BOJITOKUFAGGSA-RPWUZVMVSA-N 0 0 636.444 5.702 40 5 KKBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000408638143 572294879 /nfs/dbraw/zinc/29/48/79/572294879.db2.gz BZAPNDQRHVIOQX-WQWSHVPRSA-N 0 0 610.450 6.355 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 ZINC000408639162 572295634 /nfs/dbraw/zinc/29/56/34/572295634.db2.gz VRNDNDCZANQANO-FQEVSTJZSA-N 0 0 516.550 5.464 40 5 KKBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408639827 572296093 /nfs/dbraw/zinc/29/60/93/572296093.db2.gz GEDXZDQLBDDMRO-IBGZPJMESA-N 0 0 526.332 5.217 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640026 572296248 /nfs/dbraw/zinc/29/62/48/572296248.db2.gz ABNIQBVAUDGCAM-DZUWIXTPSA-N 0 0 712.114 6.600 40 5 KKBBRN 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KKBBRN O=C(Oc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)c1ccco1 ZINC000408665774 572311648 /nfs/dbraw/zinc/31/16/48/572311648.db2.gz ZJYDVMWINJWFSH-TYBYDDOHSA-N 0 0 667.630 5.539 40 5 KKBBRN O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408666545 572312149 /nfs/dbraw/zinc/31/21/49/572312149.db2.gz VCELPUYJQLIJMQ-ZHKRYAAZSA-N 0 0 627.908 6.445 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc54)cc3)C2)cc1[N+](=O)[O-] ZINC000408667523 572312685 /nfs/dbraw/zinc/31/26/85/572312685.db2.gz UGYVJHSCJUNSBA-NRFANRHFSA-N 0 0 539.544 5.384 40 5 KKBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408669231 572313992 /nfs/dbraw/zinc/31/39/92/572313992.db2.gz XCGGGFACMVJFKZ-NVFZYCOYSA-N 0 0 627.436 5.732 40 5 KKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408669917 572314425 /nfs/dbraw/zinc/31/44/25/572314425.db2.gz XLIWSULZDVCMSC-NTDMNLGMSA-N 0 0 599.426 6.049 40 5 KKBBRN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408672131 572315857 /nfs/dbraw/zinc/31/58/57/572315857.db2.gz ZOXKDTLZELVDKG-PLKBCFBZSA-N 0 0 579.436 5.256 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408675527 572318175 /nfs/dbraw/zinc/31/81/75/572318175.db2.gz BEQQEGCNJJXCJK-UDPYREPESA-N 0 0 587.588 5.095 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408677485 572319141 /nfs/dbraw/zinc/31/91/41/572319141.db2.gz BYTOQKUTKYXFCA-FZDFQQAASA-N 0 0 547.542 5.184 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408677525 572319252 /nfs/dbraw/zinc/31/92/52/572319252.db2.gz CAUWZOZURTYROQ-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408678811 572320080 /nfs/dbraw/zinc/32/00/80/572320080.db2.gz DDRSJPBLJYQCMB-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408679776 572320814 /nfs/dbraw/zinc/32/08/14/572320814.db2.gz FGZBCBKXPWTWFO-UHFFFAOYSA-N 0 0 785.852 7.805 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680010 572320842 /nfs/dbraw/zinc/32/08/42/572320842.db2.gz FUWJPYZKXGLZEF-HCXPYDJZSA-N 0 0 529.552 5.044 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680014 572320868 /nfs/dbraw/zinc/32/08/68/572320868.db2.gz FUWJPYZKXGLZEF-QYVZARNFSA-N 0 0 529.552 5.044 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408680748 572321412 /nfs/dbraw/zinc/32/14/12/572321412.db2.gz GHXYOAOUKWZGAD-HCXPYDJZSA-N 0 0 598.442 6.351 40 5 KKBBRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000257349439 572321584 /nfs/dbraw/zinc/32/15/84/572321584.db2.gz OCFIZNAHQQAOPE-ZEUKCDBLSA-N 0 0 596.809 9.396 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408837623 1069745469 /nfs/dbraw/zinc/74/54/69/1069745469.db2.gz KBYFCYMKYFJHHE-NKYAOSOXSA-N 0 0 679.629 5.679 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1OCC ZINC000408933032 1069756935 /nfs/dbraw/zinc/75/69/35/1069756935.db2.gz GUUWWCJZOPTERF-MZXXKLLWSA-N 0 0 726.811 6.848 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409174324 1069794457 /nfs/dbraw/zinc/79/44/57/1069794457.db2.gz RZZCSLWGUANBAN-AREMUKBSSA-N 0 0 543.444 5.985 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176300 1069795728 /nfs/dbraw/zinc/79/57/28/1069795728.db2.gz JYUBHSCHJTYFTQ-BHGWPJFGSA-N 0 0 613.004 6.331 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409381892 1069847194 /nfs/dbraw/zinc/84/71/94/1069847194.db2.gz ONTQVCMHTLLHBB-OAQYLSRUSA-N 0 0 607.426 5.555 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408762929 1069868715 /nfs/dbraw/zinc/86/87/15/1069868715.db2.gz COMXHETWGUEIQW-VCLSCOGJSA-N 0 0 833.657 6.053 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc(Br)c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771198 1069870933 /nfs/dbraw/zinc/87/09/33/1069870933.db2.gz DVONFUWJPSZQCO-HRIDGTDGSA-N 0 0 610.489 6.249 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)c1 ZINC000408770437 1069879522 /nfs/dbraw/zinc/87/95/22/1069879522.db2.gz XNYFKSJMXPKHFY-IMUCPKNRSA-N 0 0 646.681 5.010 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 ZINC000408777504 1069894282 /nfs/dbraw/zinc/89/42/82/1069894282.db2.gz AVFTVTXXYLFKDG-PLQXQRLBSA-N 0 0 522.539 5.466 40 5 KKBBRN CC(=O)Oc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408782245 1069906737 /nfs/dbraw/zinc/90/67/37/1069906737.db2.gz GDGBHTBJBJPWRQ-DJTCXORXSA-N 0 0 681.362 5.677 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1 ZINC000408809100 1069961483 /nfs/dbraw/zinc/96/14/83/1069961483.db2.gz HWPFGCMFJCJWJT-BKUYFWCQSA-N 0 0 558.353 6.019 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408815118 1069981868 /nfs/dbraw/zinc/98/18/68/1069981868.db2.gz ROSYVLHDVNSWEZ-HMAPJEAMSA-N 0 0 602.406 6.418 40 5 KKBBRN O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 ZINC000408820822 1069994392 /nfs/dbraw/zinc/99/43/92/1069994392.db2.gz ZELAJRJUSGLWHZ-BKUYFWCQSA-N 0 0 558.353 6.019 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408827300 1070006413 /nfs/dbraw/zinc/00/64/13/1070006413.db2.gz JAPJBAQBIKPOPA-POKSHJSXSA-N 0 0 639.661 5.642 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408831617 1070021220 /nfs/dbraw/zinc/02/12/20/1070021220.db2.gz OMZANFWSNXQSND-VLOXRPPESA-N 0 0 603.962 5.162 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408837769 1070027423 /nfs/dbraw/zinc/02/74/23/1070027423.db2.gz NEXPJSUTBRTQEH-CBYYHRJHSA-N 0 0 722.923 6.244 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834625 1070034417 /nfs/dbraw/zinc/03/44/17/1070034417.db2.gz WRGWHANLWIECKV-FQKMCRJQSA-N 0 0 821.431 5.803 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408835045 1070035758 /nfs/dbraw/zinc/03/57/58/1070035758.db2.gz VWSMUJBBIWFAAH-ZJTZAHLKSA-N 0 0 668.555 5.991 40 5 KKBBRN O=C(Oc1ccccc1/C=C1/N=C(Cc2ccccc2)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408845145 1070051279 /nfs/dbraw/zinc/05/12/79/1070051279.db2.gz OYWIKGYFMZVRSF-CPNJWEJPSA-N 0 0 518.934 6.221 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408846673 1070054648 /nfs/dbraw/zinc/05/46/48/1070054648.db2.gz YGDZARPKGUAOBU-XDYZZPCYSA-N 0 0 853.476 7.024 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408853129 1070060160 /nfs/dbraw/zinc/06/01/60/1070060160.db2.gz LTUVDFMFDBCKNI-PRLWALMFSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 ZINC000408850080 1070063611 /nfs/dbraw/zinc/06/36/11/1070063611.db2.gz FJDFRUUHAIBFDR-UHAPOFRNSA-N 0 0 707.721 5.890 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000408857695 1070068322 /nfs/dbraw/zinc/06/83/22/1070068322.db2.gz PJFGVYJMESSBHG-WOSHRIRTSA-N 0 0 620.687 5.749 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)cc1 ZINC000408867377 1070087430 /nfs/dbraw/zinc/08/74/30/1070087430.db2.gz KPXJPGVKTVBIOF-GRSHGNNSSA-N 0 0 546.330 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408909118 1070196720 /nfs/dbraw/zinc/19/67/20/1070196720.db2.gz GBJKJESCLXSOHW-ZHGFHMGHSA-N 0 0 653.738 5.493 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000408915734 1070217224 /nfs/dbraw/zinc/21/72/24/1070217224.db2.gz QUUCFVDBPZZRIZ-WGJPBTIMSA-N 0 0 646.750 5.908 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408920141 1070224840 /nfs/dbraw/zinc/22/48/40/1070224840.db2.gz HQHMUVLRBOMISK-ZXXDOZTISA-N 0 0 667.791 6.909 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408921221 1070229005 /nfs/dbraw/zinc/22/90/05/1070229005.db2.gz MKJASWGGHRXXAJ-SJXDCSIJSA-N 0 0 645.759 5.405 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408919134 1070234567 /nfs/dbraw/zinc/23/45/67/1070234567.db2.gz TWLYILXOHUQHRF-ZVHZXABRSA-N 0 0 539.009 6.771 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000408922378 1070239581 /nfs/dbraw/zinc/23/95/81/1070239581.db2.gz DMVKSBJYWSBCJB-PKYOQBLNSA-N 0 0 620.127 6.524 40 5 KKBBRN O=C1N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408931797 1070244585 /nfs/dbraw/zinc/24/45/85/1070244585.db2.gz QKAVQYUEHBKSMI-NHDPSOOVSA-N 0 0 621.669 6.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408928043 1070249684 /nfs/dbraw/zinc/24/96/84/1070249684.db2.gz UZEWCFIZBXLHGR-IMUCPKNRSA-N 0 0 622.703 5.027 40 5 KKBBRN O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408935719 1070274061 /nfs/dbraw/zinc/27/40/61/1070274061.db2.gz NJBXSZPPRDSWBU-MTJSOVHGSA-N 0 0 542.773 5.683 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936837 1070277838 /nfs/dbraw/zinc/27/78/38/1070277838.db2.gz IQEUWKISDANQPB-MRWVFDTMSA-N 0 0 692.190 6.125 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408937498 1070291518 /nfs/dbraw/zinc/29/15/18/1070291518.db2.gz QUHVSILUJIAZNH-MKTOWPBFSA-N 0 0 729.005 5.719 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937603 1070291965 /nfs/dbraw/zinc/29/19/65/1070291965.db2.gz KAHCMAYOEBPEFX-VPHSIRQSSA-N 0 0 737.585 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938254 1070294378 /nfs/dbraw/zinc/29/43/78/1070294378.db2.gz LCKONQCWMLMKEL-SZYVSPPHSA-N 0 0 865.484 6.282 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408987355 1070349623 /nfs/dbraw/zinc/34/96/23/1070349623.db2.gz OFXKYMRWNVDCSC-XNENXQGPSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408987568 1070349980 /nfs/dbraw/zinc/34/99/80/1070349980.db2.gz BGWKALDVJNFJIW-RJQPNXBESA-N 0 0 666.762 6.198 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408987681 1070350345 /nfs/dbraw/zinc/35/03/45/1070350345.db2.gz QUVDHPWSRWTKEG-JESJEVRBSA-N 0 0 725.204 5.689 40 5 KKBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccccc5C)n4C)cc3s2)c([N+](=O)[O-])c1 ZINC000408989450 1070353975 /nfs/dbraw/zinc/35/39/75/1070353975.db2.gz UHYXVJBHNZRUTC-UHFFFAOYSA-N 0 0 665.779 5.691 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408990900 1070357050 /nfs/dbraw/zinc/35/70/50/1070357050.db2.gz WZBYFUCDDMYDOL-RLFCKUQXSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996230 1070365269 /nfs/dbraw/zinc/36/52/69/1070365269.db2.gz LQZQMXFHAQOWRE-JEBSQDRDSA-N 0 0 690.734 6.668 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409000374 1070376235 /nfs/dbraw/zinc/37/62/35/1070376235.db2.gz YRONDHNMAYCJKO-WGJPBTIMSA-N 0 0 654.144 6.881 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000409002690 1070379024 /nfs/dbraw/zinc/37/90/24/1070379024.db2.gz WGPDYEJQVTVXJU-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409016198 1070396124 /nfs/dbraw/zinc/39/61/24/1070396124.db2.gz STJVDCDDPJLCSS-MDBUFAAASA-N 0 0 521.389 5.780 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409030021 1070412412 /nfs/dbraw/zinc/41/24/12/1070412412.db2.gz BPSZZSTXGJDOPI-MIUGUJGPSA-N 0 0 636.126 6.026 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)sc2=N1 ZINC000409031140 1070415292 /nfs/dbraw/zinc/41/52/92/1070415292.db2.gz IXPIBEWZRWKIGN-KOHOJCOXSA-N 0 0 692.190 6.126 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409032053 1070418241 /nfs/dbraw/zinc/41/82/41/1070418241.db2.gz IADHPFFKVXSKKE-RGFRMHDHSA-N 0 0 725.561 5.289 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409031919 1070418306 /nfs/dbraw/zinc/41/83/06/1070418306.db2.gz BLRXGXZJILXIRO-STZFKDTASA-N 0 0 524.396 5.541 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033034 1070421563 /nfs/dbraw/zinc/42/15/63/1070421563.db2.gz DFFPEGPMRHBPOZ-UQDCTOEPSA-N 0 0 638.098 5.417 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033787 1070424534 /nfs/dbraw/zinc/42/45/34/1070424534.db2.gz LSWQLXPLUOICAG-BXMULHQWSA-N 0 0 674.688 5.203 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)sc2=N1 ZINC000409033397 1070423035 /nfs/dbraw/zinc/42/30/35/1070423035.db2.gz LEUIWIPLGUPQLA-LCQSEVKBSA-N 0 0 622.099 5.717 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000409034702 1070432901 /nfs/dbraw/zinc/43/29/01/1070432901.db2.gz QTIMARDMJZSRLJ-ZSJKCPIUSA-N 0 0 695.504 5.178 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039400 1070430577 /nfs/dbraw/zinc/43/05/77/1070430577.db2.gz QWGLEABTJYOKOI-OKMHPQNISA-N 0 0 708.189 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042725 1070447341 /nfs/dbraw/zinc/44/73/41/1070447341.db2.gz XNUOSAHIHDNASD-XSTKMXAKSA-N 0 0 895.510 6.291 40 5 KKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409074586 1070486655 /nfs/dbraw/zinc/48/66/55/1070486655.db2.gz VQBMWSMANQMZTE-INIZCTEOSA-N 0 0 542.057 6.731 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)sc2=N1 ZINC000409082322 1070505967 /nfs/dbraw/zinc/50/59/67/1070505967.db2.gz IXLDMQIXZSZMFY-XGLZOBASSA-N 0 0 821.431 5.883 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084080 1070509454 /nfs/dbraw/zinc/50/94/54/1070509454.db2.gz WLHLWKLCEKMHRD-ORVZPOCUSA-N 0 0 701.020 6.282 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409078897 1070514611 /nfs/dbraw/zinc/51/46/11/1070514611.db2.gz DVRAASKXWDRAQY-GKTKDVHMSA-N 0 0 682.524 5.196 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409089962 1070524546 /nfs/dbraw/zinc/52/45/46/1070524546.db2.gz PLAWNDPXWMEXKI-QPJBPQEWSA-N 0 0 591.089 5.234 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095945 1070529251 /nfs/dbraw/zinc/52/92/51/1070529251.db2.gz BXHFSNMDVVYESW-ASZNLBCTSA-N 0 0 653.613 6.470 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409098999 1070532255 /nfs/dbraw/zinc/53/22/55/1070532255.db2.gz RDEIYHCIHRLNDM-RGVLZGJSSA-N 0 0 579.425 5.323 40 5 KKBBRN CCOc1cc(CNc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409109939 1070536791 /nfs/dbraw/zinc/53/67/91/1070536791.db2.gz OFWNLFHQCBKFSD-UHFFFAOYSA-N 0 0 518.351 6.098 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc3c4c(cccc42)CC3)N1Cc1ccccc1 ZINC000409112142 1070538238 /nfs/dbraw/zinc/53/82/38/1070538238.db2.gz KJBYXPJAEGNTHR-XIFFEERXSA-N 0 0 525.608 7.208 40 5 KKBBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 ZINC000409112223 1070538383 /nfs/dbraw/zinc/53/83/83/1070538383.db2.gz BIRRFNGJECLHLL-NDENLUEZSA-N 0 0 572.253 6.996 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409112629 1070538894 /nfs/dbraw/zinc/53/88/94/1070538894.db2.gz FIPZLBPYBDBXKZ-UHFFFAOYSA-N 0 0 524.382 5.053 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)O1 ZINC000409118619 1070544796 /nfs/dbraw/zinc/54/47/96/1070544796.db2.gz ORTNGGZQUAAXFC-QHCPKHFHSA-N 0 0 658.299 6.764 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c2ccccc21 ZINC000409119731 1070545876 /nfs/dbraw/zinc/54/58/76/1070545876.db2.gz QOMRRWBOUHGYCV-NDENLUEZSA-N 0 0 509.356 5.852 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 ZINC000409125673 1070553744 /nfs/dbraw/zinc/55/37/44/1070553744.db2.gz DSJLHRPREUYQMY-HHHXNRCGSA-N 0 0 528.952 6.518 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409134342 1070559010 /nfs/dbraw/zinc/55/90/10/1070559010.db2.gz NXARSQJTQYNUMX-UHFFFAOYSA-N 0 0 568.833 5.162 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Br)cc1 ZINC000409160561 1070576216 /nfs/dbraw/zinc/57/62/16/1070576216.db2.gz RKLKWFMUBXIRTA-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409164833 1070583198 /nfs/dbraw/zinc/58/31/98/1070583198.db2.gz OKAONIUARLSNRB-OEAKJJBVSA-N 0 0 517.563 5.466 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409173914 1070589411 /nfs/dbraw/zinc/58/94/11/1070589411.db2.gz PCYKDEPMLXUJNP-UHFFFAOYSA-N 0 0 534.362 7.086 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409170897 1070596168 /nfs/dbraw/zinc/59/61/68/1070596168.db2.gz XUVCCQYESLTVJC-WYMPLXKRSA-N 0 0 626.485 6.237 40 5 KKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1nc(-c2ccccc2)cs1 ZINC000409180365 1070597305 /nfs/dbraw/zinc/59/73/05/1070597305.db2.gz RBLXEBXWEHFXCL-UHFFFAOYSA-N 0 0 503.536 5.973 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409180073 1070597533 /nfs/dbraw/zinc/59/75/33/1070597533.db2.gz VFNRRAMKKSUCRI-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409180930 1070597852 /nfs/dbraw/zinc/59/78/52/1070597852.db2.gz ZFRIOEAVPRNIKC-OYKKKHCWSA-N 0 0 517.563 5.466 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409181152 1070598527 /nfs/dbraw/zinc/59/85/27/1070598527.db2.gz XXLFSMBLUXAMJD-MHZLTWQESA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409181735 1070599011 /nfs/dbraw/zinc/59/90/11/1070599011.db2.gz FMKDTOWRQLEJTA-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409181688 1070599172 /nfs/dbraw/zinc/59/91/72/1070599172.db2.gz GDAMNMFTPPVMBQ-HHHXNRCGSA-N 0 0 520.497 5.485 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182453 1070600206 /nfs/dbraw/zinc/60/02/06/1070600206.db2.gz LCNUQNSBWMTHPJ-PLMBTIQCSA-N 0 0 648.137 5.646 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409195460 1070615025 /nfs/dbraw/zinc/61/50/25/1070615025.db2.gz UURVBZZCTSBRJY-BUELQQIUSA-N 0 0 809.326 6.944 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409207691 1070623609 /nfs/dbraw/zinc/62/36/09/1070623609.db2.gz XOJIZADSDODNPE-MFKUBSTISA-N 0 0 628.585 5.918 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409206216 1070633532 /nfs/dbraw/zinc/63/35/32/1070633532.db2.gz IKHSKHYFCQDULB-GRSHGNNSSA-N 0 0 596.843 5.643 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409223495 1070650131 /nfs/dbraw/zinc/65/01/31/1070650131.db2.gz HZTVRKAGLKDVTN-WYMPLXKRSA-N 0 0 583.416 5.864 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409232748 1070657662 /nfs/dbraw/zinc/65/76/62/1070657662.db2.gz PIMDRWKWAZFJMM-WPWMEQJKSA-N 0 0 550.571 5.421 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409258079 1070678984 /nfs/dbraw/zinc/67/89/84/1070678984.db2.gz SZWOCDVALITXHJ-VULFUBBASA-N 0 0 604.597 5.315 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409252326 1070683704 /nfs/dbraw/zinc/68/37/04/1070683704.db2.gz DEEVCWZNZHNHBC-FOKLQQMPSA-N 0 0 603.487 6.242 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2sc3c(c21)CCCC3 ZINC000409263517 1070700036 /nfs/dbraw/zinc/70/00/36/1070700036.db2.gz LKOOGWRHCICNJT-UHFFFAOYSA-N 0 0 645.251 8.187 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409269255 1070703317 /nfs/dbraw/zinc/70/33/17/1070703317.db2.gz AFVDFFVHJKNIQZ-SRZZPIQSSA-N 0 0 527.942 5.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409271048 1070707194 /nfs/dbraw/zinc/70/71/94/1070707194.db2.gz IHNOKSOGQDDSPG-SVXDAGRPSA-N 0 0 626.735 5.105 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409273740 1070713221 /nfs/dbraw/zinc/71/32/21/1070713221.db2.gz RZMILYTZNYKGMF-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409276068 1070720834 /nfs/dbraw/zinc/72/08/34/1070720834.db2.gz YAGPKDFLTGYWHF-FBHDLOMBSA-N 0 0 513.478 5.425 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408879741 1070792610 /nfs/dbraw/zinc/79/26/10/1070792610.db2.gz CWUFHMZJKOUKGK-PKYOQBLNSA-N 0 0 595.633 5.128 40 5 KKBBRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000409326917 1070826839 /nfs/dbraw/zinc/82/68/39/1070826839.db2.gz ORDYKAXXAKULQS-UHFFFAOYSA-N 0 0 550.036 6.513 40 5 KKBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 ZINC000409331917 1070836146 /nfs/dbraw/zinc/83/61/46/1070836146.db2.gz FJDIZJYCLMVPAI-SFHVURJKSA-N 0 0 523.666 5.157 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409340774 1070846806 /nfs/dbraw/zinc/84/68/06/1070846806.db2.gz BDOIJQNZCWONDR-ZDUSSCGKSA-N 0 0 537.429 5.043 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(I)cc1 ZINC000409342493 1070850161 /nfs/dbraw/zinc/85/01/61/1070850161.db2.gz FKKXPKCLYUUXOD-ODLFYWEKSA-N 0 0 602.366 5.062 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409343044 1070850695 /nfs/dbraw/zinc/85/06/95/1070850695.db2.gz HTZBGHRYEPMOBJ-OAQYLSRUSA-N 0 0 565.483 5.679 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409352404 1070870456 /nfs/dbraw/zinc/87/04/56/1070870456.db2.gz CHMQWNFFSOGFAO-CCVBWGSMSA-N 0 0 900.327 6.566 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000409367123 1070890241 /nfs/dbraw/zinc/89/02/41/1070890241.db2.gz FYOZIOXEKSVTOB-UHFFFAOYSA-N 0 0 552.834 5.149 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Br)cc3Br)C2=O)o1 ZINC000409399029 1070912475 /nfs/dbraw/zinc/91/24/75/1070912475.db2.gz HFBIQJVBSSZHQD-OCKHKDLRSA-N 0 0 635.221 5.171 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409399648 1070914306 /nfs/dbraw/zinc/91/43/06/1070914306.db2.gz KKXXJNZMVMMCEH-NVNXTCNLSA-N 0 0 621.784 5.069 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 ZINC000409400339 1070914765 /nfs/dbraw/zinc/91/47/65/1070914765.db2.gz ORTXNHRBKVZJHC-GRSHGNNSSA-N 0 0 590.770 5.062 40 5 KKBBRN CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/C=C(/C)CCC=C(C)C ZINC000584577603 1070978309 /nfs/dbraw/zinc/97/83/09/1070978309.db2.gz OAIJSZIZWZSQBC-FYHOHMBJSA-N 0 0 536.888 12.938 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916769 1070998053 /nfs/dbraw/zinc/99/80/53/1070998053.db2.gz HEFYCYSRCPRMJN-SRZZPIQSSA-N 0 0 649.273 6.844 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917252 1070993507 /nfs/dbraw/zinc/99/35/07/1070993507.db2.gz PUYFTKHLMMASSM-SRZZPIQSSA-N 0 0 560.371 6.625 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408916870 1070995441 /nfs/dbraw/zinc/99/54/41/1070995441.db2.gz HTQVCNIAGACJNG-MZJWZYIUSA-N 0 0 605.466 7.335 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916866 1070995484 /nfs/dbraw/zinc/99/54/84/1070995484.db2.gz HOHVJAYKLMJREW-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408916756 1070997329 /nfs/dbraw/zinc/99/73/29/1070997329.db2.gz GYVPYWMZWNXSNG-RQZCQDPDSA-N 0 0 511.339 5.080 40 5 KKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000409042389 1071068366 /nfs/dbraw/zinc/06/83/66/1071068366.db2.gz KMPGBGNRYZJEBH-UCQKPKSFSA-N 0 0 742.329 6.807 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408922304 1071091270 /nfs/dbraw/zinc/09/12/70/1071091270.db2.gz DBNKMKBIKFBKMZ-IMUCPKNRSA-N 0 0 622.703 5.027 40 5 KKBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408921353 1071096435 /nfs/dbraw/zinc/09/64/35/1071096435.db2.gz MZDDSXVBPXFUHD-TZUCAZQYSA-N 0 0 627.122 5.751 40 5 KKBBRN Cc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408920502 1071102191 /nfs/dbraw/zinc/10/21/91/1071102191.db2.gz JLFOQVMVUXFQMW-IKHSWBDUSA-N 0 0 657.727 6.233 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408919681 1071115687 /nfs/dbraw/zinc/11/56/87/1071115687.db2.gz BIPOFBKRXGCHRL-SUAMDDGLSA-N 0 0 589.695 5.385 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408919660 1071114819 /nfs/dbraw/zinc/11/48/19/1071114819.db2.gz ZVLLVDZAQPZXHE-WXKAHTKJSA-N 0 0 568.698 6.566 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408919222 1071121358 /nfs/dbraw/zinc/12/13/58/1071121358.db2.gz UZKRASNYYGYUDN-ISQHLFTMSA-N 0 0 509.743 5.104 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408919280 1071122867 /nfs/dbraw/zinc/12/28/67/1071122867.db2.gz VUHHRWNFYCNPTB-OEAKJJBVSA-N 0 0 612.458 6.010 40 5 KKBBRN Cc1ccc(COc2c(I)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2I)cc1 ZINC000408918694 1071131336 /nfs/dbraw/zinc/13/13/36/1071131336.db2.gz NVOZZEAVTXHVTI-WSDLNYQXSA-N 0 0 712.303 6.928 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917470 1071146587 /nfs/dbraw/zinc/14/65/87/1071146587.db2.gz VBWMSFHFSUMNAH-LPYMAVHISA-N 0 0 572.380 6.015 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408929524 1071170980 /nfs/dbraw/zinc/17/09/80/1071170980.db2.gz KORDUZFRHSTKKU-ZMOGYAJESA-N 0 0 582.034 6.128 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408927607 1071195728 /nfs/dbraw/zinc/19/57/28/1071195728.db2.gz YHPUYSCZXXOVSV-UHFFFAOYSA-N 0 0 638.724 5.163 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408927283 1071197701 /nfs/dbraw/zinc/19/77/01/1071197701.db2.gz UWQRJKGTYUEILN-UHFFFAOYSA-N 0 0 689.566 5.309 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198318114 1071206943 /nfs/dbraw/zinc/20/69/43/1071206943.db2.gz SRMNZOWVWVNLAC-UHFFFAOYSA-N 0 0 694.666 5.266 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936278 1071212250 /nfs/dbraw/zinc/21/22/50/1071212250.db2.gz HMDZNDHPXVKOOJ-FUFNRSNVSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936295 1071212267 /nfs/dbraw/zinc/21/22/67/1071212267.db2.gz HOLWNSPARSKTAU-YVBHXKDBSA-N 0 0 727.033 6.489 40 5 KKBBRN CO[C@H]1O[C@@H]2CO[C@@H]([C@@H]2Op2oc3ccc4c(c3c3c(ccc5c3CCCC5)o2)CCCC4)[C@H]1Op1oc2ccc3c(c2c2c(ccc4c2CCCC4)o1)CCCC3 ZINC000200699255 1071228367 /nfs/dbraw/zinc/22/83/67/1071228367.db2.gz CARGHVWOKISGJI-BPZCRLQGSA-N 0 0 820.856 11.473 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC ZINC000408934657 1071231103 /nfs/dbraw/zinc/23/11/03/1071231103.db2.gz MCIXGDPNOYOFOY-WQVUUJHJSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])c(Cl)cc5Cl)o4)c(=O)n32)cc1OCC ZINC000408933011 1071246932 /nfs/dbraw/zinc/24/69/32/1071246932.db2.gz GOXDHWGHWHYQSC-UCFNVLOPSA-N 0 0 644.489 5.291 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1 ZINC000408933411 1071241910 /nfs/dbraw/zinc/24/19/10/1071241910.db2.gz JKEJYRMTHGLVAQ-YUMHPJSZSA-N 0 0 553.596 6.310 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408933165 1071245755 /nfs/dbraw/zinc/24/57/55/1071245755.db2.gz IAIWPYJDAPJPPK-FVMAXLJRSA-N 0 0 867.456 5.512 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408945669 1071276005 /nfs/dbraw/zinc/27/60/05/1071276005.db2.gz XOHGNPZVGUHGIE-QUNTYYFUSA-N 0 0 761.478 7.142 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944332 1071285016 /nfs/dbraw/zinc/28/50/16/1071285016.db2.gz VDIPXJJBJKNSHR-QQMBNGEASA-N 0 0 688.715 5.593 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941685 1071305782 /nfs/dbraw/zinc/30/57/82/1071305782.db2.gz QDSROELHWRLTFK-NBQDTTAVSA-N 0 0 692.190 6.125 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941001 1071312602 /nfs/dbraw/zinc/31/26/02/1071312602.db2.gz PAHXULSKAGTMKP-UAMLYEQYSA-N 0 0 769.614 5.686 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939852 1071321536 /nfs/dbraw/zinc/32/15/36/1071321536.db2.gz UNSMGMRIYVERGB-WQVUUJHJSA-N 0 0 724.586 5.074 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccccc1 ZINC000408685212 1071344730 /nfs/dbraw/zinc/34/47/30/1071344730.db2.gz PAKUPWHELDFOQN-UHFFFAOYSA-N 0 0 744.972 6.181 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408686254 1071351476 /nfs/dbraw/zinc/35/14/76/1071351476.db2.gz RFBZZTMKXCLYJV-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 ZINC000408950215 1071357539 /nfs/dbraw/zinc/35/75/39/1071357539.db2.gz MDTYLRIZKJUPKN-MBSKNMOHSA-N 0 0 701.599 5.869 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408950090 1071358448 /nfs/dbraw/zinc/35/84/48/1071358448.db2.gz RNTPTZITGZTJMB-ACHQHTMYSA-N 0 0 711.196 6.422 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(F)cc1 ZINC000408683197 1071367405 /nfs/dbraw/zinc/36/74/05/1071367405.db2.gz KSEUTVYIHSDAMT-UHFFFAOYSA-N 0 0 762.962 6.320 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408947825 1071368480 /nfs/dbraw/zinc/36/84/80/1071368480.db2.gz OHDFEZPSWSFSMV-FVUNBJOLSA-N 0 0 898.517 6.969 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682196 1071371743 /nfs/dbraw/zinc/37/17/43/1071371743.db2.gz JDNCFRCZDFWOTD-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 ZINC000408694519 1071387191 /nfs/dbraw/zinc/38/71/91/1071387191.db2.gz JZSJHQGRPOHDGK-UHFFFAOYSA-N 0 0 512.751 5.819 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000408953410 1071396347 /nfs/dbraw/zinc/39/63/47/1071396347.db2.gz WESIWDYBEVRMDK-IYVASWNSSA-N 0 0 652.523 5.435 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408691423 1071397571 /nfs/dbraw/zinc/39/75/71/1071397571.db2.gz ZUZLRKPVLXJCEZ-CYBMUJFWSA-N 0 0 591.231 5.709 40 5 KKBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408691264 1071399262 /nfs/dbraw/zinc/39/92/62/1071399262.db2.gz ZCQSYTXYBNSVTB-CYBMUJFWSA-N 0 0 607.230 5.554 40 5 KKBBRN COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c1 ZINC000408690185 1071407273 /nfs/dbraw/zinc/40/72/73/1071407273.db2.gz ZZTYOGDNYNBXMQ-UHFFFAOYSA-N 0 0 774.998 6.190 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408687752 1071427927 /nfs/dbraw/zinc/42/79/27/1071427927.db2.gz UUZAWSRQUCRZEP-UHFFFAOYSA-N 0 0 608.048 7.369 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1Cl ZINC000408687746 1071427933 /nfs/dbraw/zinc/42/79/33/1071427933.db2.gz UUQGTTLQJHZROD-UHFFFAOYSA-N 0 0 813.862 7.488 40 5 KKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408688053 1071426002 /nfs/dbraw/zinc/42/60/02/1071426002.db2.gz VPGNGGWAVCJXPH-JOCHJYFZSA-N 0 0 506.363 5.508 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976789 1071469468 /nfs/dbraw/zinc/46/94/68/1071469468.db2.gz TYMFFSKGXCPSAG-VQMDLGMUSA-N 0 0 710.812 7.230 40 5 KKBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000408975953 1071474758 /nfs/dbraw/zinc/47/47/58/1071474758.db2.gz NXTWQFXBLXYNAN-KSEXSDGBSA-N 0 0 541.507 5.802 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c(OC)c1 ZINC000408976537 1071471791 /nfs/dbraw/zinc/47/17/91/1071471791.db2.gz FZHUQODGOXXRIR-DDIUQFJASA-N 0 0 636.686 5.368 40 5 KKBBRN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 ZINC000408986225 1071491635 /nfs/dbraw/zinc/49/16/35/1071491635.db2.gz OQUCBMVDXKFVMF-INIZCTEOSA-N 0 0 546.630 6.050 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986480 1071490833 /nfs/dbraw/zinc/49/08/33/1071490833.db2.gz MFJFPLDYQHJIIA-JOHYPREOSA-N 0 0 756.631 6.203 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408710479 1071509076 /nfs/dbraw/zinc/50/90/76/1071509076.db2.gz PEBBYLIXOOASLY-UHFFFAOYSA-N 0 0 514.350 5.925 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000408710510 1071509087 /nfs/dbraw/zinc/50/90/87/1071509087.db2.gz YLOBRCDVTXVLOZ-UHFFFAOYSA-N 0 0 524.356 5.380 40 5 KKBBRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000408984154 1071510222 /nfs/dbraw/zinc/51/02/22/1071510222.db2.gz LZWMJDHBVVAWES-UHFFFAOYSA-N 0 0 655.787 6.539 40 5 KKBBRN CCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCC)c3cc21 ZINC000408720404 1071511890 /nfs/dbraw/zinc/51/18/90/1071511890.db2.gz NJOXDQAVVIIZRR-UHFFFAOYSA-N 0 0 532.640 8.031 40 5 KKBBRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000408720466 1071512732 /nfs/dbraw/zinc/51/27/32/1071512732.db2.gz QAMFYOMDJXYJON-TVNKHIRZSA-N 0 0 520.585 6.009 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408726292 1071513442 /nfs/dbraw/zinc/51/34/42/1071513442.db2.gz MWQCJJDJFQTIJA-NAIWQIQESA-N 0 0 630.078 5.782 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408983660 1071516584 /nfs/dbraw/zinc/51/65/84/1071516584.db2.gz GXVSFRBZFKQSDX-PLNPHXOGSA-N 0 0 726.605 6.194 40 5 KKBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000408726358 1071516867 /nfs/dbraw/zinc/51/68/67/1071516867.db2.gz BIJHUQNJZUGJKN-JUJAOGAQSA-N 0 0 568.221 5.313 40 5 KKBBRN Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408983523 1071517518 /nfs/dbraw/zinc/51/75/18/1071517518.db2.gz LBOONAJPYHQXTB-UHFFFAOYSA-N 0 0 531.659 7.212 40 5 KKBBRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 ZINC000408982943 1071522508 /nfs/dbraw/zinc/52/25/08/1071522508.db2.gz KBZAVPUSDZKESJ-UHFFFAOYSA-N 0 0 797.526 9.001 40 5 KKBBRN COc1ccc(-c2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723089 1071530953 /nfs/dbraw/zinc/53/09/53/1071530953.db2.gz QGNNBIDNLPPFPG-UHFFFAOYSA-N 0 0 506.496 5.563 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408981198 1071536858 /nfs/dbraw/zinc/53/68/58/1071536858.db2.gz ABMXEEJKLJQEJF-JBVGNYNVSA-N 0 0 720.785 5.044 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 ZINC000408981153 1071536888 /nfs/dbraw/zinc/53/68/88/1071536888.db2.gz ZWVRFXUQIBCSDR-SJXDCSIJSA-N 0 0 657.104 5.713 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c(OC)c1 ZINC000408980756 1071538201 /nfs/dbraw/zinc/53/82/01/1071538201.db2.gz XDKJIRGCOOMKLW-OBDCIHEFSA-N 0 0 657.104 5.713 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000408720232 1071545157 /nfs/dbraw/zinc/54/51/57/1071545157.db2.gz JSALIIMZTHFSPB-OREYSHIXSA-N 0 0 541.003 6.354 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408719514 1071547170 /nfs/dbraw/zinc/54/71/70/1071547170.db2.gz FMRLWFBDFREYPB-MPCVTRCCSA-N 0 0 536.584 5.709 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 ZINC000408720724 1071543661 /nfs/dbraw/zinc/54/36/61/1071543661.db2.gz XQFYNYUSOILBAY-QYRZKEDASA-N 0 0 506.558 5.619 40 5 KKBBRN COc1ccc([C@@H]2N=C(SCc3ccc([N+](=O)[O-])cc3)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 ZINC000408978593 1071548609 /nfs/dbraw/zinc/54/86/09/1071548609.db2.gz NAJPZWRZTAVYOT-VWLOTQADSA-N 0 0 518.595 5.458 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000408728790 1071549648 /nfs/dbraw/zinc/54/96/48/1071549648.db2.gz UEWKPOJDRIOYQS-URFUVCHWSA-N 0 0 503.352 5.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733743 1071550564 /nfs/dbraw/zinc/55/05/64/1071550564.db2.gz PNGJVIHHEOQBKR-ZJTZAHLKSA-N 0 0 661.048 5.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733556 1071551216 /nfs/dbraw/zinc/55/12/16/1071551216.db2.gz JSMKFNNXSZFSIW-YVBHXKDBSA-N 0 0 640.630 5.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408995421 1071552164 /nfs/dbraw/zinc/55/21/64/1071552164.db2.gz COFZZRZBYSQFKQ-MFUBYVTQSA-N 0 0 628.888 5.382 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408995234 1071554272 /nfs/dbraw/zinc/55/42/72/1071554272.db2.gz BAXVEXIPMXMMHP-BIWBSIMWSA-N 0 0 634.508 5.048 40 5 KKBBRN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000408736736 1071554617 /nfs/dbraw/zinc/55/46/17/1071554617.db2.gz GPNSKACXRSUXLF-NDEPHWFRSA-N 0 0 507.590 5.710 40 5 KKBBRN Cc1cc(C)cc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408736586 1071555003 /nfs/dbraw/zinc/55/50/03/1071555003.db2.gz CZZRMQWTMOBFLZ-NDEPHWFRSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408995040 1071555201 /nfs/dbraw/zinc/55/52/01/1071555201.db2.gz KZJUUBCTPJRONI-OTHIGLTOSA-N 0 0 736.853 5.757 40 5 KKBBRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000408736383 1071557201 /nfs/dbraw/zinc/55/72/01/1071557201.db2.gz BJKMKPMRWVFSQB-NRFANRHFSA-N 0 0 507.572 5.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736196 1071557640 /nfs/dbraw/zinc/55/76/40/1071557640.db2.gz KVRYXRQBGFNQMO-QUNTYYFUSA-N 0 0 737.585 6.302 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736197 1071557733 /nfs/dbraw/zinc/55/77/33/1071557733.db2.gz KVRYXRQBGFNQMO-SZYVSPPHSA-N 0 0 737.585 6.302 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc3ccccc3c2)C4=O)cc1C ZINC000408994445 1071558404 /nfs/dbraw/zinc/55/84/04/1071558404.db2.gz HPKUIAXPSWRJHM-UHFFFAOYSA-N 0 0 566.411 7.825 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408993974 1071560991 /nfs/dbraw/zinc/56/09/91/1071560991.db2.gz DZVDXDRHOMYIAH-GNZKFENCSA-N 0 0 727.820 6.938 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408993537 1071564763 /nfs/dbraw/zinc/56/47/63/1071564763.db2.gz VZTKFMCNZFYANU-ROUUACIJSA-N 0 0 617.734 7.029 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735083 1071561921 /nfs/dbraw/zinc/56/19/21/1071561921.db2.gz NRHNDJPKDAGILJ-WOKYONKFSA-N 0 0 754.865 7.629 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735323 1071562035 /nfs/dbraw/zinc/56/20/35/1071562035.db2.gz QTSITOXIXLFKGA-FJNIOPPGSA-N 0 0 674.688 5.204 40 5 KKBBRN Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000408993536 1071564897 /nfs/dbraw/zinc/56/48/97/1071564897.db2.gz VZTKFMCNZFYANU-QZTJIDSGSA-N 0 0 617.734 7.029 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408992707 1071570640 /nfs/dbraw/zinc/57/06/40/1071570640.db2.gz BDUJVBFOAZHCPY-QZVQSRICSA-N 0 0 819.699 6.758 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733932 1071569125 /nfs/dbraw/zinc/56/91/25/1071569125.db2.gz SDDZIBRGSYRZQB-KFOJKGMOSA-N 0 0 635.698 5.854 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734005 1071569648 /nfs/dbraw/zinc/56/96/48/1071569648.db2.gz USGCMJWLZKSCOR-OBDCIHEFSA-N 0 0 609.660 5.437 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733400 1071571921 /nfs/dbraw/zinc/57/19/21/1071571921.db2.gz IFFKZUNIRRRTSK-ZYDFGXJWSA-N 0 0 644.887 5.088 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccc2c(c1)OCO2 ZINC000408733098 1071574386 /nfs/dbraw/zinc/57/43/86/1071574386.db2.gz WBWJQNBYRMLQGM-MTBQCCFUSA-N 0 0 574.545 5.307 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408992057 1071574724 /nfs/dbraw/zinc/57/47/24/1071574724.db2.gz ZKCZEPMUMIOUHV-JBVGNYNVSA-N 0 0 712.180 6.093 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408992026 1071577114 /nfs/dbraw/zinc/57/71/14/1071577114.db2.gz QAVKRRFPEJDOEX-KYRGTEIWSA-N 0 0 686.196 6.789 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408991798 1071577655 /nfs/dbraw/zinc/57/76/55/1071577655.db2.gz YURYRXWHIDYXCF-IENUPWEYSA-N 0 0 720.985 6.528 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408732567 1071578168 /nfs/dbraw/zinc/57/81/68/1071578168.db2.gz RVVMAVWXMYEPDE-VQCLQPKNSA-N 0 0 560.562 5.587 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408991373 1071581730 /nfs/dbraw/zinc/58/17/30/1071581730.db2.gz ZZKWAEQTFHTFPA-NXYYLBPMSA-N 0 0 852.501 6.799 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408991242 1071583169 /nfs/dbraw/zinc/58/31/69/1071583169.db2.gz ZKQSLHMXMWDHDG-KFOJKGMOSA-N 0 0 673.744 5.092 40 5 KKBBRN O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991060 1071583970 /nfs/dbraw/zinc/58/39/70/1071583970.db2.gz MNTKXVFRKZHHCC-UHFFFAOYSA-N 0 0 646.175 8.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730926 1071584577 /nfs/dbraw/zinc/58/45/77/1071584577.db2.gz WFQKIYOIIFSDMR-IZBTWGKQSA-N 0 0 703.365 5.500 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730098 1071589213 /nfs/dbraw/zinc/58/92/13/1071589213.db2.gz NBMLCAUYBCTQHG-UPWSPCOFSA-N 0 0 650.496 6.533 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729947 1071589896 /nfs/dbraw/zinc/58/98/96/1071589896.db2.gz LKYVXXJLEANYSO-KFOJKGMOSA-N 0 0 651.697 5.554 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729620 1071591800 /nfs/dbraw/zinc/59/18/00/1071591800.db2.gz BPHKVUKOWVODOC-PNQAETMRSA-N 0 0 651.697 5.262 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408990077 1071592925 /nfs/dbraw/zinc/59/29/25/1071592925.db2.gz VELOZRXTXVEUNV-QYIOYSLNSA-N 0 0 856.920 7.443 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408729315 1071593101 /nfs/dbraw/zinc/59/31/01/1071593101.db2.gz DODDOKXLUNUYOP-RIFKOAFWSA-N 0 0 730.593 6.317 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3)cc2s1 ZINC000408989946 1071594389 /nfs/dbraw/zinc/59/43/89/1071594389.db2.gz UROKVZSJJJVFQU-UHFFFAOYSA-N 0 0 675.217 8.137 40 5 KKBBRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[nH]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988794 1071602517 /nfs/dbraw/zinc/60/25/17/1071602517.db2.gz FYVLRLDTJVBFHC-HDICACEKSA-N 0 0 643.772 7.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739557 1071603359 /nfs/dbraw/zinc/60/33/59/1071603359.db2.gz XQGJLJCTYBIEOQ-ACHQHTMYSA-N 0 0 649.725 5.837 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408987564 1071611974 /nfs/dbraw/zinc/61/19/74/1071611974.db2.gz BGWKALDVJNFJIW-IZZVBFKTSA-N 0 0 666.762 6.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408996933 1071615872 /nfs/dbraw/zinc/61/58/72/1071615872.db2.gz FMNYUXBULADRED-PRLWALMFSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996832 1071616442 /nfs/dbraw/zinc/61/64/42/1071616442.db2.gz FFLQXJLPIAUYDY-IYCJABBDSA-N 0 0 690.734 6.668 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408995752 1071621559 /nfs/dbraw/zinc/62/15/59/1071621559.db2.gz DNKLWEFBRADBCM-MFUBYVTQSA-N 0 0 673.339 5.492 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C4=O)cc1C ZINC000408996537 1071618546 /nfs/dbraw/zinc/61/85/46/1071618546.db2.gz PWSXLJCVLMHLMH-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996191 1071619067 /nfs/dbraw/zinc/61/90/67/1071619067.db2.gz LKDCMQWSBYWTMW-JREUYWDSSA-N 0 0 732.840 6.159 40 5 KKBBRN Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2C)C4=O)cc1C ZINC000408996221 1071619568 /nfs/dbraw/zinc/61/95/68/1071619568.db2.gz OWKZOXIPXSOSGW-UHFFFAOYSA-N 0 0 530.378 6.980 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 ZINC000409007063 1071623694 /nfs/dbraw/zinc/62/36/94/1071623694.db2.gz NGOBIVTXDSALQA-HAHDFKILSA-N 0 0 539.407 6.215 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409006766 1071624673 /nfs/dbraw/zinc/62/46/73/1071624673.db2.gz LILXPTOAGHHNLQ-HAHDFKILSA-N 0 0 569.433 6.224 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408756583 1071637178 /nfs/dbraw/zinc/63/71/78/1071637178.db2.gz WJMTXKVVGXIYFG-LGAXSRDJSA-N 0 0 630.292 6.672 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000408756582 1071637239 /nfs/dbraw/zinc/63/72/39/1071637239.db2.gz WJMTXKVVGXIYFG-DQXSBBCTSA-N 0 0 630.292 6.672 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756424 1071638182 /nfs/dbraw/zinc/63/81/82/1071638182.db2.gz RDRIIBCCPGNQPD-IMUCPKNRSA-N 0 0 602.628 5.927 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409002259 1071640861 /nfs/dbraw/zinc/64/08/61/1071640861.db2.gz SQHWKIIYQJMFIE-PYCBVSLESA-N 0 0 532.665 5.722 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408755801 1071643249 /nfs/dbraw/zinc/64/32/49/1071643249.db2.gz FSBADJROSMRIFW-LAUBZIAYSA-N 0 0 531.593 5.487 40 5 KKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(c1ccccc1)c1ccccc1 ZINC000409000878 1071648228 /nfs/dbraw/zinc/64/82/28/1071648228.db2.gz ZMXJZMFZXLPVMQ-PXGDAJMSSA-N 0 0 613.758 7.561 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000615 1071649332 /nfs/dbraw/zinc/64/93/32/1071649332.db2.gz UGYCAYZQZGXPQR-OTHIGLTOSA-N 0 0 677.735 5.440 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409000279 1071650455 /nfs/dbraw/zinc/65/04/55/1071650455.db2.gz YHPIPPNQTRVVPE-CTIXHBHKSA-N 0 0 774.924 8.690 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408754272 1071652802 /nfs/dbraw/zinc/65/28/02/1071652802.db2.gz FXTLRCPJAFWJGI-VEOKEAFVSA-N 0 0 835.527 6.965 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408999640 1071652903 /nfs/dbraw/zinc/65/29/03/1071652903.db2.gz RQGKKXAULWFBPQ-UHFFFAOYSA-N 0 0 573.403 6.630 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998379 1071659650 /nfs/dbraw/zinc/65/96/50/1071659650.db2.gz UJNDGXSNRSYTEH-NXYYLBPMSA-N 0 0 805.501 6.956 40 5 KKBBRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000408752751 1071662045 /nfs/dbraw/zinc/66/20/45/1071662045.db2.gz JXCAUFZJCCAYHU-BONBFMHJSA-N 0 0 500.554 6.007 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408997524 1071663777 /nfs/dbraw/zinc/66/37/77/1071663777.db2.gz GZGPNODQCWFIJC-OGMUYLFESA-N 0 0 562.691 5.812 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408997453 1071663786 /nfs/dbraw/zinc/66/37/86/1071663786.db2.gz GHNAJXGPHXYDOM-VYQNWNTASA-N 0 0 723.807 7.340 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408997452 1071663852 /nfs/dbraw/zinc/66/38/52/1071663852.db2.gz GHNAJXGPHXYDOM-PLQLAVCSSA-N 0 0 723.807 7.340 40 5 KKBBRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1 ZINC000409015351 1071672807 /nfs/dbraw/zinc/67/28/07/1071672807.db2.gz ROBLDQCXSZCJEE-UDWIEESQSA-N 0 0 528.746 5.687 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409014957 1071673471 /nfs/dbraw/zinc/67/34/71/1071673471.db2.gz QONGSBCZSPZIAN-SGEFVQMOSA-N 0 0 708.268 5.371 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 ZINC000408750735 1071673820 /nfs/dbraw/zinc/67/38/20/1071673820.db2.gz RBFKZNKCLSKUFD-UHFFFAOYSA-N 0 0 504.549 5.044 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccc(Cl)cc1 ZINC000408750565 1071674499 /nfs/dbraw/zinc/67/44/99/1071674499.db2.gz OUPLYMGODCDSHY-UHFFFAOYSA-N 0 0 524.967 5.389 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000408750461 1071675497 /nfs/dbraw/zinc/67/54/97/1071675497.db2.gz NHTTUTWBKJXFJF-UHFFFAOYSA-N 0 0 551.605 6.647 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(Cl)cc1 ZINC000408749872 1071681031 /nfs/dbraw/zinc/68/10/31/1071681031.db2.gz JSUDFQGBYZHUOZ-UHFFFAOYSA-N 0 0 509.952 5.634 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 ZINC000408749106 1071686113 /nfs/dbraw/zinc/68/61/13/1071686113.db2.gz DMASZDDGWOVGGB-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409011415 1071688434 /nfs/dbraw/zinc/68/84/34/1071688434.db2.gz HQNUBWBNXJGOSE-OGLMXYFKSA-N 0 0 681.565 5.720 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409010892 1071689516 /nfs/dbraw/zinc/68/95/16/1071689516.db2.gz GDEOJECXPNGWDQ-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757731 1071709783 /nfs/dbraw/zinc/70/97/83/1071709783.db2.gz PRCVSNSFQBAMKD-SJXDCSIJSA-N 0 0 624.516 6.558 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408758002 1071707277 /nfs/dbraw/zinc/70/72/77/1071707277.db2.gz UDUOCNUPRGPGCK-KFOJKGMOSA-N 0 0 759.476 7.340 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408757873 1071708822 /nfs/dbraw/zinc/70/88/22/1071708822.db2.gz RCDKTMVZJMGALK-GONGWJOBSA-N 0 0 651.722 5.003 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408757972 1071709200 /nfs/dbraw/zinc/70/92/00/1071709200.db2.gz SXEUSXJNMLOMBK-BPOMCQNBSA-N 0 0 714.597 7.362 40 5 KKBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)c(C)c1 ZINC000408757618 1071711103 /nfs/dbraw/zinc/71/11/03/1071711103.db2.gz NUESJTPTDKMENW-UHFFFAOYSA-N 0 0 515.363 6.903 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408757419 1071711723 /nfs/dbraw/zinc/71/17/23/1071711723.db2.gz MZPXKGWRDQBCTN-JLKMOJGBSA-N 0 0 545.620 5.795 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408766575 1071719878 /nfs/dbraw/zinc/71/98/78/1071719878.db2.gz CZOHSEPQXBKYSR-HWMKKPCCSA-N 0 0 679.379 7.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408765933 1071722039 /nfs/dbraw/zinc/72/20/39/1071722039.db2.gz BXFXVQHPBZZLMW-XIHDXPBISA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408762044 1071737602 /nfs/dbraw/zinc/73/76/02/1071737602.db2.gz CGRRUIGFNQLKQG-FPWMYLJGSA-N 0 0 929.527 6.649 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036855 1071738623 /nfs/dbraw/zinc/73/86/23/1071738623.db2.gz BUBNKENQKPFFNS-PGUFECHJSA-N 0 0 756.617 5.543 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408761733 1071738934 /nfs/dbraw/zinc/73/89/34/1071738934.db2.gz BCGKCANACLJMHY-JESJEVRBSA-N 0 0 691.718 5.080 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408770623 1071741147 /nfs/dbraw/zinc/74/11/47/1071741147.db2.gz ZRBFFHZJGSHLOA-HRIDGTDGSA-N 0 0 566.038 6.140 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770553 1071741664 /nfs/dbraw/zinc/74/16/64/1071741664.db2.gz YYFDHGGSXWEABN-ZYZRGQPVSA-N 0 0 805.707 7.611 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3c4ccccc4cc4ccccc43)sc2=N1 ZINC000409036496 1071741997 /nfs/dbraw/zinc/74/19/97/1071741997.db2.gz LJPBBSRPEJSGED-ASUJOLEISA-N 0 0 641.587 6.656 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409035918 1071747967 /nfs/dbraw/zinc/74/79/67/1071747967.db2.gz KNYZOTHVTULZHT-YNMQQHPQSA-N 0 0 725.561 5.289 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409034965 1071754875 /nfs/dbraw/zinc/75/48/75/1071754875.db2.gz OUEADHURCBHIGT-UNDLXJOSSA-N 0 0 592.677 5.018 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408774164 1071763423 /nfs/dbraw/zinc/76/34/23/1071763423.db2.gz BPGXMUHAWJTTAA-MFCBUNOESA-N 0 0 652.498 5.187 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000409033978 1071763926 /nfs/dbraw/zinc/76/39/26/1071763926.db2.gz MUCDLLXJXCHXQS-LCQSEVKBSA-N 0 0 587.654 5.062 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409033818 1071765775 /nfs/dbraw/zinc/76/57/75/1071765775.db2.gz GCOCUQAULGXZRD-DBHVVYFFSA-N 0 0 671.175 6.152 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033767 1071767431 /nfs/dbraw/zinc/76/74/31/1071767431.db2.gz PLHNNGYUKIGCHX-FLGOMVIPSA-N 0 0 766.225 5.288 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408773364 1071767681 /nfs/dbraw/zinc/76/76/81/1071767681.db2.gz QRJAUZIFGCSHFG-KMCFWPMWSA-N 0 0 714.569 6.324 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408772673 1071772224 /nfs/dbraw/zinc/77/22/24/1071772224.db2.gz FCOYLZDOGILGFJ-JOHYPREOSA-N 0 0 772.699 6.916 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409032747 1071778112 /nfs/dbraw/zinc/77/81/12/1071778112.db2.gz NDWRZASTCBJCFC-LCQSEVKBSA-N 0 0 622.099 5.717 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032076 1071783120 /nfs/dbraw/zinc/78/31/20/1071783120.db2.gz ITPQGVUFLBXKLQ-GWRYVSOYSA-N 0 0 757.059 6.497 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409032015 1071784602 /nfs/dbraw/zinc/78/46/02/1071784602.db2.gz BXNXIDDOBARRAZ-ZPMAPHDVSA-N 0 0 650.757 5.805 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408769963 1071790119 /nfs/dbraw/zinc/79/01/19/1071790119.db2.gz RDVYGLFKHUIKJY-ZSXMQSLNSA-N 0 0 676.751 5.768 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 ZINC000408769540 1071791856 /nfs/dbraw/zinc/79/18/56/1071791856.db2.gz NPXWXFIGOHKSTM-QQMBNGEASA-N 0 0 790.490 6.895 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408770202 1071788178 /nfs/dbraw/zinc/78/81/78/1071788178.db2.gz UQIWBALPZVISMP-OIUASMPBSA-N 0 0 663.668 5.491 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408769886 1071789285 /nfs/dbraw/zinc/78/92/85/1071789285.db2.gz QGVZOACACDNVRN-ISZRBDKASA-N 0 0 711.594 6.132 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769913 1071789660 /nfs/dbraw/zinc/78/96/60/1071789660.db2.gz QLYZKXZUOVGMBG-BUDNTJSZSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769914 1071789709 /nfs/dbraw/zinc/78/97/09/1071789709.db2.gz QLYZKXZUOVGMBG-FCVOFCDTSA-N 0 0 724.586 5.074 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769564 1071791718 /nfs/dbraw/zinc/79/17/18/1071791718.db2.gz OAEYPCONHFFODZ-JYNXQWRTSA-N 0 0 725.530 5.187 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409030422 1071799918 /nfs/dbraw/zinc/79/99/18/1071799918.db2.gz DHXOGKPFYDBFIK-BKUYFWCQSA-N 0 0 603.292 6.303 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409030067 1071802251 /nfs/dbraw/zinc/80/22/51/1071802251.db2.gz CADLOMIDTCSEAY-SELCLYCASA-N 0 0 678.163 5.736 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1 ZINC000408768134 1071803366 /nfs/dbraw/zinc/80/33/66/1071803366.db2.gz CEPRNWRVPYILOI-ZPMAPHDVSA-N 0 0 601.684 5.815 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408767974 1071804454 /nfs/dbraw/zinc/80/44/54/1071804454.db2.gz RQLBWMPONZRKLZ-HZHHUVPKSA-N 0 0 667.143 6.023 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000408767979 1071804508 /nfs/dbraw/zinc/80/45/08/1071804508.db2.gz RQLBWMPONZRKLZ-ISZRBDKASA-N 0 0 667.143 6.023 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037405 1071823842 /nfs/dbraw/zinc/82/38/42/1071823842.db2.gz NLFWHONHUHYFRU-FZEVDNDPSA-N 0 0 848.510 6.448 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408779487 1071828674 /nfs/dbraw/zinc/82/86/74/1071828674.db2.gz XKHCGVMDKUZZPY-AOLPSBPOSA-N 0 0 530.433 6.643 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408779166 1071830787 /nfs/dbraw/zinc/83/07/87/1071830787.db2.gz AZASDYCPXSFXPL-LLXISZFLSA-N 0 0 635.673 5.562 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408778966 1071833256 /nfs/dbraw/zinc/83/32/56/1071833256.db2.gz NSZNMOJFTWDRHF-CBYYHRJHSA-N 0 0 540.439 6.098 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408778634 1071835263 /nfs/dbraw/zinc/83/52/63/1071835263.db2.gz JDZSVYRKTBUGMX-SWBDNCPRSA-N 0 0 679.726 5.961 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045376 1071840266 /nfs/dbraw/zinc/84/02/66/1071840266.db2.gz IPDFZQWXMWSJGF-OCDQFKQQSA-N 0 0 799.640 5.695 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409045970 1071836446 /nfs/dbraw/zinc/83/64/46/1071836446.db2.gz QLGRSCILISRZIM-FSEOGBMLSA-N 0 0 642.517 6.061 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000409044680 1071847680 /nfs/dbraw/zinc/84/76/80/1071847680.db2.gz ORQOSUZDNUDKRJ-LCQSEVKBSA-N 0 0 587.654 5.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408786599 1071850425 /nfs/dbraw/zinc/85/04/25/1071850425.db2.gz SSQKEJYNACMXCV-CRCYZHLCSA-N 0 0 632.676 5.129 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043695 1071857598 /nfs/dbraw/zinc/85/75/98/1071857598.db2.gz ZCHFUJSBBXVNRS-CVXNTFFOSA-N 0 0 830.610 5.816 40 5 KKBBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1Nc1ccccc1 ZINC000408796112 1071879910 /nfs/dbraw/zinc/87/99/10/1071879910.db2.gz DRQMVMSUYBIPPR-AYVXKDNWSA-N 0 0 523.034 7.562 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040444 1071890802 /nfs/dbraw/zinc/89/08/02/1071890802.db2.gz XTQZFZNNFRDKGP-GWRYVSOYSA-N 0 0 801.510 6.606 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039921 1071893666 /nfs/dbraw/zinc/89/36/66/1071893666.db2.gz XPZAUDHBCNIAMD-PIXWUVMMSA-N 0 0 638.098 5.416 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)sc2=N1 ZINC000409039489 1071897672 /nfs/dbraw/zinc/89/76/72/1071897672.db2.gz GUAGWUNREKUPJR-LCQSEVKBSA-N 0 0 682.549 5.526 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000409038412 1071909503 /nfs/dbraw/zinc/90/95/03/1071909503.db2.gz VGTCUXZPIUAITO-LMSRTUJASA-N 0 0 609.582 5.518 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1Cl ZINC000409054991 1071930134 /nfs/dbraw/zinc/93/01/34/1071930134.db2.gz OWNBLOAAZXDDDD-JAIQZWGSSA-N 0 0 718.694 7.277 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409050006 1071960121 /nfs/dbraw/zinc/96/01/21/1071960121.db2.gz RXYMVIGQMOQZIT-RISWYLRJSA-N 0 0 760.404 5.653 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048809 1071969406 /nfs/dbraw/zinc/96/94/06/1071969406.db2.gz PCYBOPDCXRUNMR-IVRZUQNJSA-N 0 0 801.068 5.652 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409047961 1071974567 /nfs/dbraw/zinc/97/45/67/1071974567.db2.gz NUUSSPGYNGRQBR-CRCYZHLCSA-N 0 0 626.062 5.548 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409047596 1071979294 /nfs/dbraw/zinc/97/92/94/1071979294.db2.gz OVYNGHSTOAELBU-MRWVFDTMSA-N 0 0 761.594 6.052 40 5 KKBBRN O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409058555 1071986602 /nfs/dbraw/zinc/98/66/02/1071986602.db2.gz YQSDZQOFRGTHMH-XKZIYDEJSA-N 0 0 746.292 6.637 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)N(CC(=O)OC)C2=S)cc1 ZINC000409058326 1071987119 /nfs/dbraw/zinc/98/71/19/1071987119.db2.gz NUMZCOIFWFZKON-IWIPYMOSSA-N 0 0 610.486 5.646 40 5 KKBBRN O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000409066742 1072001798 /nfs/dbraw/zinc/00/17/98/1072001798.db2.gz PKLRVEFWSSLZEL-YBFXNURJSA-N 0 0 501.392 5.638 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409076902 1072044935 /nfs/dbraw/zinc/04/49/35/1072044935.db2.gz CHBISZWGUWWHLF-OCEWKHMESA-N 0 0 592.098 5.511 40 5 KKBBRN O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1 ZINC000409076959 1072045353 /nfs/dbraw/zinc/04/53/53/1072045353.db2.gz CAKPSHKVUOZSCU-MOSHPQCFSA-N 0 0 500.349 5.162 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076650 1072048910 /nfs/dbraw/zinc/04/89/10/1072048910.db2.gz BMMSGYADINRXBV-PBKKUYBVSA-N 0 0 702.967 5.790 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076648 1072049008 /nfs/dbraw/zinc/04/90/08/1072049008.db2.gz BMMSGYADINRXBV-FSEOGBMLSA-N 0 0 702.967 5.790 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076503 1072050940 /nfs/dbraw/zinc/05/09/40/1072050940.db2.gz BATCQMFNPDKZLY-PBKKUYBVSA-N 0 0 747.418 5.899 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076262 1072054204 /nfs/dbraw/zinc/05/42/04/1072054204.db2.gz AIEBSKWLNYUBKH-FSEOGBMLSA-N 0 0 702.967 5.790 40 5 KKBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409075929 1072056831 /nfs/dbraw/zinc/05/68/31/1072056831.db2.gz VSRWAIOLCIJCAE-DTQASYIRSA-N 0 0 600.241 5.297 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 ZINC000409080450 1072123714 /nfs/dbraw/zinc/12/37/14/1072123714.db2.gz HZIUWTMWLAHSAH-XIHDXPBISA-N 0 0 661.523 6.358 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409078156 1072149651 /nfs/dbraw/zinc/14/96/51/1072149651.db2.gz GTZNIXKNNPVGHS-CCVBWGSMSA-N 0 0 668.522 5.136 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409077814 1072151945 /nfs/dbraw/zinc/15/19/45/1072151945.db2.gz FYSHKBHWRWXMQO-FHQMNNMHSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409082929 1072206175 /nfs/dbraw/zinc/20/61/75/1072206175.db2.gz UHVHQYXQKGSRMQ-RGFRMHDHSA-N 0 0 565.607 5.120 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082635 1072209595 /nfs/dbraw/zinc/20/95/95/1072209595.db2.gz MRORZNAULYTFNS-PIXWUVMMSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409082424 1072210427 /nfs/dbraw/zinc/21/04/27/1072210427.db2.gz MASKUUZLVPNARS-ASUJOLEISA-N 0 0 605.672 5.439 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409097050 1072230074 /nfs/dbraw/zinc/23/00/74/1072230074.db2.gz MDPURPQVEXBFRN-LRUGRNCASA-N 0 0 730.622 5.556 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409095831 1072238588 /nfs/dbraw/zinc/23/85/88/1072238588.db2.gz DLSUONLIBDMFLP-JDKSNUEYSA-N 0 0 760.648 5.570 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095358 1072241010 /nfs/dbraw/zinc/24/10/10/1072241010.db2.gz HOXTZMWZLHBRPY-ZRBTUZGESA-N 0 0 706.821 6.151 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409327121 1072241493 /nfs/dbraw/zinc/24/14/93/1072241493.db2.gz IFSGAXYWTYCVTH-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094743 1072244484 /nfs/dbraw/zinc/24/44/84/1072244484.db2.gz FWWPFQGDTCYAMI-VNOBABJFSA-N 0 0 665.772 5.032 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000409091845 1072268320 /nfs/dbraw/zinc/26/83/20/1072268320.db2.gz SKYOMMMYJAMWEA-JLHDDXNDSA-N 0 0 606.660 5.359 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409090999 1072276511 /nfs/dbraw/zinc/27/65/11/1072276511.db2.gz SDHSWKOSEKBBBL-PSAPEEBNSA-N 0 0 657.148 6.087 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409090054 1072284421 /nfs/dbraw/zinc/28/44/21/1072284421.db2.gz OIICZPBOPBSPEG-LRUGRNCASA-N 0 0 730.622 5.556 40 5 KKBBRN COC(=O)Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409089301 1072289807 /nfs/dbraw/zinc/28/98/07/1072289807.db2.gz IHLDELSPVONKAW-JGAIACPSSA-N 0 0 678.188 5.615 40 5 KKBBRN COC(=O)Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409089049 1072293185 /nfs/dbraw/zinc/29/31/85/1072293185.db2.gz IHLDELSPVONKAW-CWPZDHDOSA-N 0 0 678.188 5.615 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409087716 1072305453 /nfs/dbraw/zinc/30/54/53/1072305453.db2.gz JOAYKRLVDPMSQU-DDBFQISPSA-N 0 0 628.776 5.480 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087498 1072309122 /nfs/dbraw/zinc/30/91/22/1072309122.db2.gz ZABSZWOEAYRIPX-ZCWBPALNSA-N 0 0 698.548 5.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409100767 1072318568 /nfs/dbraw/zinc/31/85/68/1072318568.db2.gz WQLCAWRXYPXAKZ-UJVJZFQOSA-N 0 0 686.171 5.452 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409099236 1072326778 /nfs/dbraw/zinc/32/67/78/1072326778.db2.gz KHFAXDYATSLBRN-IDUWFGFVSA-N 0 0 692.169 6.895 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409098207 1072332670 /nfs/dbraw/zinc/33/26/70/1072332670.db2.gz KIMMHMFORPKNJL-JOHYPREOSA-N 0 0 699.254 6.978 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409106999 1072340286 /nfs/dbraw/zinc/34/02/86/1072340286.db2.gz OBZIONXBDBRGSZ-DFXMODJXSA-N 0 0 636.730 5.742 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409335247 1072340817 /nfs/dbraw/zinc/34/08/17/1072340817.db2.gz KOHPTUHCMLZNQW-FJNIOPPGSA-N 0 0 785.613 5.306 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409106564 1072342620 /nfs/dbraw/zinc/34/26/20/1072342620.db2.gz MTCRDVATOAYFAU-RGVLZGJSSA-N 0 0 626.425 5.165 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409105473 1072350221 /nfs/dbraw/zinc/35/02/21/1072350221.db2.gz KIMQROVUEXRKQX-RFZPLYKNSA-N 0 0 656.145 5.438 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409102675 1072365527 /nfs/dbraw/zinc/36/55/27/1072365527.db2.gz VWCXHLOXRCGXGZ-QPJBPQEWSA-N 0 0 591.089 5.234 40 5 KKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409102677 1072365638 /nfs/dbraw/zinc/36/56/38/1072365638.db2.gz VWMCXQUZFROHNI-IDUWFGFVSA-N 0 0 692.169 6.895 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409102713 1072363670 /nfs/dbraw/zinc/36/36/70/1072363670.db2.gz ZJYDYLYIDJNOSI-NLTKXKDSSA-N 0 0 667.794 5.507 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409102927 1072363721 /nfs/dbraw/zinc/36/37/21/1072363721.db2.gz URUZMZGJANYFGD-KEBDBYFISA-N 0 0 605.772 5.538 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4c5ccccc5ccc4C2=C[C@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC000409332157 1072364141 /nfs/dbraw/zinc/36/41/41/1072364141.db2.gz HAZCVPFKZUGZLC-AXCRSINUSA-N 0 0 546.535 5.278 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409102826 1072364595 /nfs/dbraw/zinc/36/45/95/1072364595.db2.gz UIRHZAHAKCURDJ-CYGYJLBOSA-N 0 0 663.781 5.908 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409102840 1072364723 /nfs/dbraw/zinc/36/47/23/1072364723.db2.gz WFGJQJTYLPZSQZ-PQRKSKNISA-N 0 0 617.127 5.244 40 5 KKBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409102520 1072366658 /nfs/dbraw/zinc/36/66/58/1072366658.db2.gz AUPMUTTWJSIBQU-STEKTNRRSA-N 0 0 671.160 5.391 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409116850 1072368729 /nfs/dbraw/zinc/36/87/29/1072368729.db2.gz MCZPUKCYJDTRRB-UHFFFAOYSA-N 0 0 543.907 5.110 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1Cc1ccccc1 ZINC000409113946 1072369226 /nfs/dbraw/zinc/36/92/26/1072369226.db2.gz HVBSFLHMMFBIAK-UMSFTDKQSA-N 0 0 590.079 8.189 40 5 KKBBRN CCOc1cc(CNc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115957 1072376148 /nfs/dbraw/zinc/37/61/48/1072376148.db2.gz KBCSABLYIXDLQM-UHFFFAOYSA-N 0 0 518.351 6.098 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)O1 ZINC000409114876 1072379421 /nfs/dbraw/zinc/37/94/21/1072379421.db2.gz JSJMUZPSUPWJGI-DEOSSOPVSA-N 0 0 579.403 6.002 40 5 KKBBRN COC(=O)COc1cccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1 ZINC000409114852 1072379515 /nfs/dbraw/zinc/37/95/15/1072379515.db2.gz JPTSSRWYTZASDV-SSEXGKCCSA-N 0 0 537.572 5.508 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409113261 1072385178 /nfs/dbraw/zinc/38/51/78/1072385178.db2.gz HHYOKURYGRVFFO-HDFSHUSISA-N 0 0 633.195 6.125 40 5 KKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409112725 1072388454 /nfs/dbraw/zinc/38/84/54/1072388454.db2.gz CEVQNIHJTMVKRS-UHFFFAOYSA-N 0 0 505.368 7.341 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 ZINC000409112550 1072388848 /nfs/dbraw/zinc/38/88/48/1072388848.db2.gz DWZLLOQZHSPASH-DEOSSOPVSA-N 0 0 500.507 5.239 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000409328917 1072389018 /nfs/dbraw/zinc/38/90/18/1072389018.db2.gz AIAZKOSNSJHFHR-MFKUBSTISA-N 0 0 531.590 5.972 40 5 KKBBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 ZINC000409112002 1072391265 /nfs/dbraw/zinc/39/12/65/1072391265.db2.gz JODIXQOQHNDFAF-ODLFYWEKSA-N 0 0 558.226 6.606 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OC ZINC000409111416 1072393137 /nfs/dbraw/zinc/39/31/37/1072393137.db2.gz CMQMVVFHSJXTOL-LJAQVGFWSA-N 0 0 588.458 6.736 40 5 KKBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)O1 ZINC000409111243 1072393617 /nfs/dbraw/zinc/39/36/17/1072393617.db2.gz BOVGYJRXTXRUJX-XMMPIXPASA-N 0 0 534.952 5.893 40 5 KKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3ccc4ccccc4c3OC(=O)[C@@H]12 ZINC000409337205 1072402861 /nfs/dbraw/zinc/40/28/61/1072402861.db2.gz YSUFMSKLONSPPO-DLMOMKDTSA-N 0 0 594.963 5.652 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409108896 1072403555 /nfs/dbraw/zinc/40/35/55/1072403555.db2.gz YSZSSRJTFMPTCF-WSDLNYQXSA-N 0 0 599.825 5.430 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108608 1072406392 /nfs/dbraw/zinc/40/63/92/1072406392.db2.gz XDIZBTXKIUMROT-HDFSHUSISA-N 0 0 649.194 5.825 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409108537 1072407439 /nfs/dbraw/zinc/40/74/39/1072407439.db2.gz VCRFKMAAZOKBIF-BRYUKDSCSA-N 0 0 753.881 7.154 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107504 1072414889 /nfs/dbraw/zinc/41/48/89/1072414889.db2.gz WIAVLEIWIYQGRS-DWLKXISJSA-N 0 0 662.768 5.753 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409123249 1072417434 /nfs/dbraw/zinc/41/74/34/1072417434.db2.gz BAUAAALFFNAULX-UHFFFAOYSA-N 0 0 551.410 5.332 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409119588 1072435059 /nfs/dbraw/zinc/43/50/59/1072435059.db2.gz QDKOVYIQTWWURP-PGUFJCEWSA-N 0 0 733.446 9.613 40 5 KKBBRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000409119376 1072435580 /nfs/dbraw/zinc/43/55/80/1072435580.db2.gz WLCXXOACQIIQEY-DEOSSOPVSA-N 0 0 579.403 6.002 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)N1Cc1ccccc1 ZINC000409117896 1072443006 /nfs/dbraw/zinc/44/30/06/1072443006.db2.gz MBDPZPGXWKBSMZ-UMSFTDKQSA-N 0 0 555.634 7.535 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)N1Cc1ccccc1 ZINC000409117900 1072443112 /nfs/dbraw/zinc/44/31/12/1072443112.db2.gz MBDPZPGXWKBSMZ-UUWRZZSWSA-N 0 0 555.634 7.535 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409343041 1072443671 /nfs/dbraw/zinc/44/36/71/1072443671.db2.gz HTZBGHRYEPMOBJ-NRFANRHFSA-N 0 0 565.483 5.679 40 5 KKBBRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117359 1072446091 /nfs/dbraw/zinc/44/60/91/1072446091.db2.gz NFENKLHKJSYRGT-UHFFFAOYSA-N 0 0 505.796 6.909 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409341767 1072454893 /nfs/dbraw/zinc/45/48/93/1072454893.db2.gz BYGOKGLFFVVUPG-WGARJPEWSA-N 0 0 604.641 5.419 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCCc1ccccc1 ZINC000409135941 1072482704 /nfs/dbraw/zinc/48/27/04/1072482704.db2.gz WRUKXHMOZLKIJJ-HZHRSRAPSA-N 0 0 726.330 7.052 40 5 KKBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135205 1072487741 /nfs/dbraw/zinc/48/77/41/1072487741.db2.gz XPTGRRXVTHPVKD-FQEVSTJZSA-N 0 0 551.456 5.371 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(OC3CSC3)c2)N1Cc1ccccc1 ZINC000409135009 1072488327 /nfs/dbraw/zinc/48/83/27/1072488327.db2.gz PFFWANDEOOTTDH-PMERELPUSA-N 0 0 537.641 6.450 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409356675 1072501165 /nfs/dbraw/zinc/50/11/65/1072501165.db2.gz HADDJRDJZJRNEE-NRFANRHFSA-N 0 0 579.510 6.069 40 5 KKBBRN COC(=O)c1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409132990 1072501611 /nfs/dbraw/zinc/50/16/11/1072501611.db2.gz YWSLIYRFPJBCHC-MUUNZHRXSA-N 0 0 507.546 5.743 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409356181 1072503677 /nfs/dbraw/zinc/50/36/77/1072503677.db2.gz FMTUQAGCOFTMMW-CYBMUJFWSA-N 0 0 537.429 5.043 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409355697 1072507886 /nfs/dbraw/zinc/50/78/86/1072507886.db2.gz DLQPCUBONSWXEV-LLVKDONJSA-N 0 0 557.847 5.388 40 5 KKBBRN O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000409131667 1072508159 /nfs/dbraw/zinc/50/81/59/1072508159.db2.gz KBWBVOJYHVQQPB-PGUFJCEWSA-N 0 0 633.104 7.627 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409131498 1072509037 /nfs/dbraw/zinc/50/90/37/1072509037.db2.gz YCBLFOYKARYSEA-KOEQRZSOSA-N 0 0 644.487 6.846 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355561 1072509170 /nfs/dbraw/zinc/50/91/70/1072509170.db2.gz DDDFFHLEJYBQRP-SELCLYCASA-N 0 0 606.704 5.326 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409129445 1072519089 /nfs/dbraw/zinc/51/90/89/1072519089.db2.gz JQZXKMJCCZOSBQ-HZHRSRAPSA-N 0 0 632.330 7.368 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000409128973 1072523284 /nfs/dbraw/zinc/52/32/84/1072523284.db2.gz LLGSPVNYTDNYDN-UHFFFAOYSA-N 0 0 566.035 6.213 40 5 KKBBRN Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409128491 1072525609 /nfs/dbraw/zinc/52/56/09/1072525609.db2.gz FRZQJXHCRJMZTC-UHFFFAOYSA-N 0 0 506.194 6.619 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409352483 1072528664 /nfs/dbraw/zinc/52/86/64/1072528664.db2.gz VZYGCOSCZSJPPR-HXUWFJFHSA-N 0 0 585.901 6.024 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409351720 1072533182 /nfs/dbraw/zinc/53/31/82/1072533182.db2.gz YOVHNQGCTIPHON-FQEVSTJZSA-N 0 0 565.483 5.761 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCCc1ccccc1 ZINC000409143291 1072541344 /nfs/dbraw/zinc/54/13/44/1072541344.db2.gz LMSVXNNTDNZZCC-LFVJCYFKSA-N 0 0 600.434 6.448 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409142888 1072544062 /nfs/dbraw/zinc/54/40/62/1072544062.db2.gz DISHJGCGIHJYCI-MFKUBSTISA-N 0 0 628.585 5.918 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141992 1072549614 /nfs/dbraw/zinc/54/96/14/1072549614.db2.gz ABQQVKVQOUNJFL-PIXWUVMMSA-N 0 0 604.084 5.247 40 5 KKBBRN CCOc1cc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000409140126 1072561047 /nfs/dbraw/zinc/56/10/47/1072561047.db2.gz QAKNWBIZVAABLH-BHVANESWSA-N 0 0 599.687 7.934 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCCc1ccccc1 ZINC000409138314 1072571837 /nfs/dbraw/zinc/57/18/37/1072571837.db2.gz ZVAACJJDGCUKTD-HZHRSRAPSA-N 0 0 543.428 7.150 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409146439 1072581933 /nfs/dbraw/zinc/58/19/33/1072581933.db2.gz RTXRSRRGRJFNFC-QMRKCUAASA-N 0 0 772.839 6.062 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409145736 1072586119 /nfs/dbraw/zinc/58/61/19/1072586119.db2.gz PLENWGKPNMAUCD-NBQDTTAVSA-N 0 0 684.568 6.201 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409145339 1072587523 /nfs/dbraw/zinc/58/75/23/1072587523.db2.gz NTZQPMVSBBCJJU-DJTCXORXSA-N 0 0 696.605 5.036 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409156728 1072593408 /nfs/dbraw/zinc/59/34/08/1072593408.db2.gz LVWWIFIJMOCFID-MXAYSNPKSA-N 0 0 688.940 6.832 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409156618 1072594257 /nfs/dbraw/zinc/59/42/57/1072594257.db2.gz LBRLNGDZZXPHJV-YDZHTSKRSA-N 0 0 618.451 6.794 40 5 KKBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409155891 1072597066 /nfs/dbraw/zinc/59/70/66/1072597066.db2.gz DVVVFEIFTIXYIE-LSHDLFTRSA-N 0 0 612.960 5.410 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409155107 1072602304 /nfs/dbraw/zinc/60/23/04/1072602304.db2.gz BQRYFCPENAGOSK-YDZHTSKRSA-N 0 0 564.532 5.369 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409154935 1072603342 /nfs/dbraw/zinc/60/33/42/1072603342.db2.gz PKCNWMNIDBZSQJ-BHGWPJFGSA-N 0 0 644.525 6.342 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000409154771 1072603873 /nfs/dbraw/zinc/60/38/73/1072603873.db2.gz OKVNVCQXESXNDS-WSDLNYQXSA-N 0 0 557.506 6.389 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]1 ZINC000409154388 1072605550 /nfs/dbraw/zinc/60/55/50/1072605550.db2.gz NZCKERBYAPLPGR-FQEVSTJZSA-N 0 0 616.523 5.457 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409360457 1072607306 /nfs/dbraw/zinc/60/73/06/1072607306.db2.gz QCFGQAKYIHANKF-HXUWFJFHSA-N 0 0 565.483 5.587 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409153715 1072610400 /nfs/dbraw/zinc/61/04/00/1072610400.db2.gz IRJOWUANESKRCI-FSJBWODESA-N 0 0 601.559 6.706 40 5 KKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1cccc(Br)c1 ZINC000409153700 1072610446 /nfs/dbraw/zinc/61/04/46/1072610446.db2.gz MFRWLLRUAYFOMI-CFRMEGHHSA-N 0 0 548.418 6.597 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409152900 1072615917 /nfs/dbraw/zinc/61/59/17/1072615917.db2.gz KJFDASDDLUVGLD-WSDLNYQXSA-N 0 0 604.424 6.403 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1 ZINC000409152209 1072619367 /nfs/dbraw/zinc/61/93/67/1072619367.db2.gz JROGGEYCVNMYCA-VXLYETTFSA-N 0 0 501.879 5.322 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 ZINC000409150184 1072630452 /nfs/dbraw/zinc/63/04/52/1072630452.db2.gz AEJICPHDLJTFCK-LSHDLFTRSA-N 0 0 668.469 7.565 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409374599 1072636301 /nfs/dbraw/zinc/63/63/01/1072636301.db2.gz UOVJDXLXWBGLND-LPYMAVHISA-N 0 0 504.568 5.045 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409374675 1072636911 /nfs/dbraw/zinc/63/69/11/1072636911.db2.gz WIQNUCMOQUSOOP-MXAYSNPKSA-N 0 0 625.681 5.280 40 5 KKBBRN O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)c1 ZINC000409374200 1072639236 /nfs/dbraw/zinc/63/92/36/1072639236.db2.gz YPSCOIRMFJTVGR-UHFFFAOYSA-N 0 0 605.352 6.192 40 5 KKBBRN CC(C)NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409148115 1072643860 /nfs/dbraw/zinc/64/38/60/1072643860.db2.gz ONYWYARWEQOEDW-YTTGMZPUSA-N 0 0 564.642 5.860 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147860 1072645848 /nfs/dbraw/zinc/64/58/48/1072645848.db2.gz ZPNDYJBQQRUQDB-ROLILNELSA-N 0 0 736.806 5.218 40 5 KKBBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409147571 1072648411 /nfs/dbraw/zinc/64/84/11/1072648411.db2.gz XJQZIRLBLQFZTL-QHZSLAKNSA-N 0 0 666.181 5.315 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409371416 1072649678 /nfs/dbraw/zinc/64/96/78/1072649678.db2.gz CIWRVFKUCSQIKS-MXAYSNPKSA-N 0 0 604.641 5.221 40 5 KKBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4Cl)n3C)n2)cc1[N+](=O)[O-] ZINC000409166156 1072650483 /nfs/dbraw/zinc/65/04/83/1072650483.db2.gz CWMXDGUZAQWJIO-UHFFFAOYSA-N 0 0 535.438 5.860 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409165652 1072653140 /nfs/dbraw/zinc/65/31/40/1072653140.db2.gz APQXPRFOAZEIME-DHRITJCHSA-N 0 0 626.043 5.688 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl ZINC000409165355 1072655062 /nfs/dbraw/zinc/65/50/62/1072655062.db2.gz WXWORMHKTINNOD-VYYCAZPPSA-N 0 0 633.082 6.493 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409369218 1072659692 /nfs/dbraw/zinc/65/96/92/1072659692.db2.gz ICONJSGCOHZDQM-WQNUKSJVSA-N 0 0 804.457 5.970 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409369216 1072659777 /nfs/dbraw/zinc/65/97/77/1072659777.db2.gz ICONJSGCOHZDQM-GKTKDVHMSA-N 0 0 804.457 5.970 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409164252 1072660695 /nfs/dbraw/zinc/66/06/95/1072660695.db2.gz FPVQHDDNKOMWIC-ZVHZXABRSA-N 0 0 568.007 5.901 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409163991 1072662107 /nfs/dbraw/zinc/66/21/07/1072662107.db2.gz AYYWZVOYUCULJR-ZMOGYAJESA-N 0 0 658.552 6.732 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409163763 1072662670 /nfs/dbraw/zinc/66/26/70/1072662670.db2.gz XNAQGLGSEBBCEG-SSDVNMTOSA-N 0 0 650.429 7.460 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409162766 1072668044 /nfs/dbraw/zinc/66/80/44/1072668044.db2.gz HLZMUERHJOXUGR-ZMOGYAJESA-N 0 0 705.552 6.574 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 ZINC000409162817 1072668461 /nfs/dbraw/zinc/66/84/61/1072668461.db2.gz IEYZISUDAHQSBN-HXUWFJFHSA-N 0 0 572.072 5.348 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Br)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409162515 1072670094 /nfs/dbraw/zinc/67/00/94/1072670094.db2.gz WEEPTBONAKKZHP-JBDHCHCMSA-N 0 0 648.535 5.356 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409162215 1072672201 /nfs/dbraw/zinc/67/22/01/1072672201.db2.gz YMVJRKNDGSQFMV-WGARJPEWSA-N 0 0 702.967 7.222 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409161255 1072677205 /nfs/dbraw/zinc/67/72/05/1072677205.db2.gz LNFQPBCTIYDYSX-IVQFASICSA-N 0 0 694.795 5.357 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409161058 1072679826 /nfs/dbraw/zinc/67/98/26/1072679826.db2.gz VUUOJSWJDBKCSY-ZMOGYAJESA-N 0 0 594.558 5.378 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409160716 1072681407 /nfs/dbraw/zinc/68/14/07/1072681407.db2.gz YZEOQLPBAGYICN-FMCGGJTJSA-N 0 0 584.006 5.977 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409160542 1072681976 /nfs/dbraw/zinc/68/19/76/1072681976.db2.gz RBRCIZRSIDPNFR-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409387291 1072682148 /nfs/dbraw/zinc/68/21/48/1072682148.db2.gz VOFGDKSUTFKEBJ-YDZHTSKRSA-N 0 0 538.534 5.189 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409160502 1072683661 /nfs/dbraw/zinc/68/36/61/1072683661.db2.gz QMUXVCGMAQDGST-UUYOSTAYSA-N 0 0 523.592 5.869 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000409160160 1072684573 /nfs/dbraw/zinc/68/45/73/1072684573.db2.gz SUCXYQJAIUBQEL-ADUBFANXSA-N 0 0 679.751 6.210 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409159958 1072685004 /nfs/dbraw/zinc/68/50/04/1072685004.db2.gz CWUOQRGXDJBYQS-RGFRMHDHSA-N 0 0 645.763 5.053 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409159570 1072687674 /nfs/dbraw/zinc/68/76/74/1072687674.db2.gz RDEVQXRHHHBYFU-XKZIYDEJSA-N 0 0 525.380 6.173 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C ZINC000409159362 1072688094 /nfs/dbraw/zinc/68/80/94/1072688094.db2.gz ZQWKGVQYZGTIDK-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409159320 1072689637 /nfs/dbraw/zinc/68/96/37/1072689637.db2.gz SPXRPHFVPFBLKM-GOQPZEPVSA-N 0 0 679.751 6.210 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409158951 1072690934 /nfs/dbraw/zinc/69/09/34/1072690934.db2.gz MCXLMBLVCLNPDX-OEAKJJBVSA-N 0 0 503.536 5.157 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409158877 1072692080 /nfs/dbraw/zinc/69/20/80/1072692080.db2.gz PJXLFCNMCUDBRO-BRJLIKDPSA-N 0 0 694.040 7.310 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409157523 1072698653 /nfs/dbraw/zinc/69/86/53/1072698653.db2.gz VURXWKJYOQXJQA-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl ZINC000409157580 1072699290 /nfs/dbraw/zinc/69/92/90/1072699290.db2.gz JLCUKCODKVXKQA-OPEKNORGSA-N 0 0 704.939 6.450 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409157414 1072699737 /nfs/dbraw/zinc/69/97/37/1072699737.db2.gz VJSKYOVJUSNOQU-QRVIBDJDSA-N 0 0 627.031 5.686 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409384299 1072700315 /nfs/dbraw/zinc/70/03/15/1072700315.db2.gz APSIMTBQOCRXBD-SRZZPIQSSA-N 0 0 603.403 5.561 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409166995 1072701039 /nfs/dbraw/zinc/70/10/39/1072701039.db2.gz HHUVWKZEAQOTMT-FMCGGJTJSA-N 0 0 632.503 6.905 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409177163 1072706010 /nfs/dbraw/zinc/70/60/10/1072706010.db2.gz CNBFWZKGXRMUHJ-AREMUKBSSA-N 0 0 551.467 5.085 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl ZINC000409176822 1072706446 /nfs/dbraw/zinc/70/64/46/1072706446.db2.gz YTQRZYJMOCPWFZ-KEBDBYFISA-N 0 0 576.812 6.254 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409382535 1072707076 /nfs/dbraw/zinc/70/70/76/1072707076.db2.gz SOOWTOAAQHRNGK-NRFANRHFSA-N 0 0 530.400 5.704 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000409176955 1072709546 /nfs/dbraw/zinc/70/95/46/1072709546.db2.gz CEDTYKMBAMSDBS-SANMLTNESA-N 0 0 505.486 6.093 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 ZINC000409176581 1072709853 /nfs/dbraw/zinc/70/98/53/1072709853.db2.gz ROOCAOZBDUZKEO-CIAFOILYSA-N 0 0 556.394 5.855 40 5 KKBBRN Cc1ccccc1OCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409175918 1072713996 /nfs/dbraw/zinc/71/39/96/1072713996.db2.gz DTCJMPHRUFDNAX-LJAQVGFWSA-N 0 0 524.529 5.702 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1cccc(Cl)c1 ZINC000409175808 1072715300 /nfs/dbraw/zinc/71/53/00/1072715300.db2.gz VDNCHINPMYYCSG-ZVBGSRNCSA-N 0 0 656.820 7.497 40 5 KKBBRN COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000409174261 1072722643 /nfs/dbraw/zinc/72/26/43/1072722643.db2.gz UOLPIPCMUKOYCJ-UHFFFAOYSA-N 0 0 554.408 5.061 40 5 KKBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409174315 1072722647 /nfs/dbraw/zinc/72/26/47/1072722647.db2.gz RTEVPEBFVGSIBQ-UHFFFAOYSA-N 0 0 501.278 5.033 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409173543 1072726364 /nfs/dbraw/zinc/72/63/64/1072726364.db2.gz JOUNUUIVNDPAIA-LGJNPRDNSA-N 0 0 685.067 6.589 40 5 KKBBRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409173385 1072727238 /nfs/dbraw/zinc/72/72/38/1072727238.db2.gz LQFRKVPOQXDTII-UHFFFAOYSA-N 0 0 521.529 6.605 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409173332 1072728605 /nfs/dbraw/zinc/72/86/05/1072728605.db2.gz PCAJOJCPUVVHBN-FSJBWODESA-N 0 0 693.903 6.506 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409388828 1072736107 /nfs/dbraw/zinc/73/61/07/1072736107.db2.gz XNGHEHPWISDVFX-CFRMEGHHSA-N 0 0 687.366 6.320 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409171901 1072738144 /nfs/dbraw/zinc/73/81/44/1072738144.db2.gz DDBYRKQNWLEOIG-FHQMNNMHSA-N 0 0 634.110 5.256 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409171902 1072738167 /nfs/dbraw/zinc/73/81/67/1072738167.db2.gz DDBYRKQNWLEOIG-IPAKXIGBSA-N 0 0 634.110 5.256 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409387956 1072741173 /nfs/dbraw/zinc/74/11/73/1072741173.db2.gz ZCOLRJAASSLPFK-FOKLQQMPSA-N 0 0 617.430 5.951 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409171224 1072741511 /nfs/dbraw/zinc/74/15/11/1072741511.db2.gz YULGPJKIVQTIRP-BRJLIKDPSA-N 0 0 756.937 8.454 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 ZINC000409400680 1072745062 /nfs/dbraw/zinc/74/50/62/1072745062.db2.gz QCAUZSAKCHNUOE-WSVATBPTSA-N 0 0 714.117 5.934 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409170440 1072746106 /nfs/dbraw/zinc/74/61/06/1072746106.db2.gz VSCGBXSZFFMFHP-FOKLQQMPSA-N 0 0 649.987 6.911 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 ZINC000409399010 1072750631 /nfs/dbraw/zinc/75/06/31/1072750631.db2.gz GYWPTXREKLUQOC-WSVATBPTSA-N 0 0 669.666 5.825 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409167943 1072758507 /nfs/dbraw/zinc/75/85/07/1072758507.db2.gz JZDUVNCTLZAWGU-FSJBWODESA-N 0 0 564.532 5.287 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409167527 1072759342 /nfs/dbraw/zinc/75/93/42/1072759342.db2.gz IZPVGYBBFNTWJO-AFUMVMLFSA-N 0 0 579.656 5.969 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409167636 1072760027 /nfs/dbraw/zinc/76/00/27/1072760027.db2.gz IZDDHMFAXZREHX-XKZIYDEJSA-N 0 0 534.550 5.083 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402508 1072776342 /nfs/dbraw/zinc/77/63/42/1072776342.db2.gz VZFKDABOHJKMBT-NVMNQCDNSA-N 0 0 590.770 5.062 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1C ZINC000409183928 1072779913 /nfs/dbraw/zinc/77/99/13/1072779913.db2.gz VGVXCELWIJWGML-NDEPHWFRSA-N 0 0 534.524 5.793 40 5 KKBBRN COc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 ZINC000409183815 1072780791 /nfs/dbraw/zinc/78/07/91/1072780791.db2.gz VBUSZWONSGVCLQ-UHFFFAOYSA-N 0 0 506.514 6.968 40 5 KKBBRN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc2)C3=O)cc1C ZINC000409183475 1072783099 /nfs/dbraw/zinc/78/30/99/1072783099.db2.gz SSLHHBWJLMRPRQ-UHFFFAOYSA-N 0 0 522.513 6.162 40 5 KKBBRN O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409183320 1072784050 /nfs/dbraw/zinc/78/40/50/1072784050.db2.gz RLLDAPGYHXWTBS-UHFFFAOYSA-N 0 0 511.515 5.257 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1 ZINC000409183024 1072785852 /nfs/dbraw/zinc/78/58/52/1072785852.db2.gz RMSPCJJQOKHPLW-UHFFFAOYSA-N 0 0 501.278 5.068 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409182739 1072788458 /nfs/dbraw/zinc/78/84/58/1072788458.db2.gz NJSZPFWDXKFMIZ-FSJBWODESA-N 0 0 650.429 7.406 40 5 KKBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409182762 1072788482 /nfs/dbraw/zinc/78/84/82/1072788482.db2.gz OAMIJISTEGLAQA-UHFFFAOYSA-N 0 0 596.957 5.821 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182452 1072790642 /nfs/dbraw/zinc/79/06/42/1072790642.db2.gz LCNUQNSBWMTHPJ-KAEGSSFASA-N 0 0 648.137 5.646 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409182414 1072791947 /nfs/dbraw/zinc/79/19/47/1072791947.db2.gz LUOVPHSKFHWPER-UHFFFAOYSA-N 0 0 569.482 5.462 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182095 1072793403 /nfs/dbraw/zinc/79/34/03/1072793403.db2.gz IBTHBEYUSNKCSM-PLMBTIQCSA-N 0 0 610.667 5.157 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409182008 1072793679 /nfs/dbraw/zinc/79/36/79/1072793679.db2.gz HLDFFYCYVIEAQN-HXUWFJFHSA-N 0 0 519.691 5.700 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181674 1072796527 /nfs/dbraw/zinc/79/65/27/1072796527.db2.gz DRZAYBAKXXYXQD-RUZDIDTESA-N 0 0 532.892 6.730 40 5 KKBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3C2=O)cc1 ZINC000409181424 1072797034 /nfs/dbraw/zinc/79/70/34/1072797034.db2.gz CFZHLUOFBLMALD-UHFFFAOYSA-N 0 0 524.485 5.553 40 5 KKBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409181251 1072798406 /nfs/dbraw/zinc/79/84/06/1072798406.db2.gz AGRLVPCOGBZFQY-UHFFFAOYSA-N 0 0 524.485 5.553 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000409181227 1072800068 /nfs/dbraw/zinc/80/00/68/1072800068.db2.gz ZNXAECFVVCIUGH-YTTGMZPUSA-N 0 0 633.012 7.622 40 5 KKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000409181071 1072800689 /nfs/dbraw/zinc/80/06/89/1072800689.db2.gz VNMDRGHEJIGHPR-UHFFFAOYSA-N 0 0 558.634 9.007 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409180248 1072804408 /nfs/dbraw/zinc/80/44/08/1072804408.db2.gz VMGOTWRKNWDSJG-YDZHTSKRSA-N 0 0 571.533 6.643 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180512 1072804461 /nfs/dbraw/zinc/80/44/61/1072804461.db2.gz YVXGASSBUBNFDJ-UHFFFAOYSA-N 0 0 566.035 6.066 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409180310 1072804888 /nfs/dbraw/zinc/80/48/88/1072804888.db2.gz YELPYQJQHPRQSL-UHFFFAOYSA-N 0 0 539.456 5.453 40 5 KKBBRN CCOC(=O)c1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)OCC)=C(C)N=4)o2)ccc1Cl ZINC000409179672 1072808089 /nfs/dbraw/zinc/80/80/89/1072808089.db2.gz UBPMVMWJFSGMKO-CRCYZHLCSA-N 0 0 636.082 5.105 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179667 1072808219 /nfs/dbraw/zinc/80/82/19/1072808219.db2.gz UAQYHTMWLMIRSH-UHFFFAOYSA-N 0 0 632.975 6.117 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409179744 1072808685 /nfs/dbraw/zinc/80/86/85/1072808685.db2.gz SYCVKVQMYZSUHA-RUZDIDTESA-N 0 0 548.960 7.089 40 5 KKBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409179517 1072809187 /nfs/dbraw/zinc/80/91/87/1072809187.db2.gz POKIQSFSENWGHW-UHFFFAOYSA-N 0 0 603.927 6.115 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409179455 1072810531 /nfs/dbraw/zinc/81/05/31/1072810531.db2.gz OGDBBFSCWAVIIQ-LSHDLFTRSA-N 0 0 568.951 5.932 40 5 KKBBRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409179226 1072811028 /nfs/dbraw/zinc/81/10/28/1072811028.db2.gz LALVNBZEUMEVBA-UHFFFAOYSA-N 0 0 551.580 7.120 40 5 KKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409178504 1072816110 /nfs/dbraw/zinc/81/61/10/1072816110.db2.gz KIHSKHLLKZJPMO-UHFFFAOYSA-N 0 0 573.355 6.307 40 5 KKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178495 1072816181 /nfs/dbraw/zinc/81/61/81/1072816181.db2.gz IWZHNTNCISUDCV-MUUNZHRXSA-N 0 0 579.392 6.700 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409178331 1072816830 /nfs/dbraw/zinc/81/68/30/1072816830.db2.gz GOYUSXGRLDVRKK-AREMUKBSSA-N 0 0 532.892 6.730 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178264 1072818383 /nfs/dbraw/zinc/81/83/83/1072818383.db2.gz LSINOKXGLAMHOX-UHFFFAOYSA-N 0 0 645.115 5.200 40 5 KKBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409178047 1072818830 /nfs/dbraw/zinc/81/88/30/1072818830.db2.gz KFVOHLVKBDWRJQ-YZSQISJMSA-N 0 0 548.020 6.537 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177979 1072819813 /nfs/dbraw/zinc/81/98/13/1072819813.db2.gz HZDWBGLDRQOUMM-SANMLTNESA-N 0 0 551.467 5.085 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409192398 1072825554 /nfs/dbraw/zinc/82/55/54/1072825554.db2.gz CHQSHDLXXRKANV-DJTCXORXSA-N 0 0 728.039 6.603 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409196295 1072831587 /nfs/dbraw/zinc/83/15/87/1072831587.db2.gz VNNUCJYOEOZKRX-OTHIGLTOSA-N 0 0 813.745 7.589 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409196292 1072831629 /nfs/dbraw/zinc/83/16/29/1072831629.db2.gz VNNUCJYOEOZKRX-JBVGNYNVSA-N 0 0 813.745 7.589 40 5 KKBBRN Cc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000409195714 1072835007 /nfs/dbraw/zinc/83/50/07/1072835007.db2.gz VNMSJUZMPQRYFN-HFAHNTRXSA-N 0 0 533.334 5.629 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409195142 1072838194 /nfs/dbraw/zinc/83/81/94/1072838194.db2.gz UBKBXLJPBDJDQJ-DYCDSJFESA-N 0 0 765.657 6.459 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409194695 1072840501 /nfs/dbraw/zinc/84/05/01/1072840501.db2.gz QJDBBBIBZBRZGF-INJWXVQMSA-N 0 0 753.646 5.967 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409194154 1072845540 /nfs/dbraw/zinc/84/55/40/1072845540.db2.gz NNAODXFYBKBZCI-JKYQMCTKSA-N 0 0 643.200 5.991 40 5 KKBBRN COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O ZINC000409193714 1072848252 /nfs/dbraw/zinc/84/82/52/1072848252.db2.gz LOHAQLJXVNPQQP-HBZKCSNRSA-N 0 0 607.369 5.255 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409193754 1072849002 /nfs/dbraw/zinc/84/90/02/1072849002.db2.gz MCGLUTXXPVJOFU-UPWSPCOFSA-N 0 0 755.109 6.908 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409193439 1072850172 /nfs/dbraw/zinc/85/01/72/1072850172.db2.gz CPFHLYLFMUESDF-BUVRLJJBSA-N 0 0 535.534 5.973 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000409192925 1072853584 /nfs/dbraw/zinc/85/35/84/1072853584.db2.gz HFEUAKSPAXFRSM-ITNPZBTBSA-N 0 0 747.255 5.807 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409192510 1072854581 /nfs/dbraw/zinc/85/45/81/1072854581.db2.gz YEQYHYUAUUELII-VPHSIRQSSA-N 0 0 796.125 6.561 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409192207 1072856360 /nfs/dbraw/zinc/85/63/60/1072856360.db2.gz VPPKJBVOARNBAL-XQNWCSQWSA-N 0 0 721.648 6.443 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409192113 1072857285 /nfs/dbraw/zinc/85/72/85/1072857285.db2.gz AJKOSQOFRBGFBY-CCORILLZSA-N 0 0 790.110 7.740 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192105 1072857373 /nfs/dbraw/zinc/85/73/73/1072857373.db2.gz ADCRCJQUQPONHW-CXABMRDKSA-N 0 0 745.283 6.578 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409191739 1072861131 /nfs/dbraw/zinc/86/11/31/1072861131.db2.gz MBZTWHDKRSTSPA-CCVBWGSMSA-N 0 0 723.620 5.958 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409191446 1072863431 /nfs/dbraw/zinc/86/34/31/1072863431.db2.gz HRURARIKYZUTBM-KEPJHFNWSA-N 0 0 731.212 5.518 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409191209 1072863570 /nfs/dbraw/zinc/86/35/70/1072863570.db2.gz DJAOTPSSDFHQCC-MDNSZFDISA-N 0 0 793.327 7.326 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409191447 1072863694 /nfs/dbraw/zinc/86/36/94/1072863694.db2.gz HRURARIKYZUTBM-MIUGUJGPSA-N 0 0 731.212 5.518 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409191231 1072864110 /nfs/dbraw/zinc/86/41/10/1072864110.db2.gz DWBGAOAJEWXHCT-DJPQNNMESA-N 0 0 785.691 7.096 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409191133 1072865154 /nfs/dbraw/zinc/86/51/54/1072865154.db2.gz ZVHBAMXMSSYIDG-HNVAQCFTSA-N 0 0 799.718 7.486 40 5 KKBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1OCC ZINC000409190433 1072870868 /nfs/dbraw/zinc/87/08/68/1072870868.db2.gz NESWVYBLRVBNCJ-CKWWZSKKSA-N 0 0 558.543 5.364 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O ZINC000409189721 1072873734 /nfs/dbraw/zinc/87/37/34/1072873734.db2.gz RYEJITKGEBEJOB-PBVZTHECSA-N 0 0 563.316 5.049 40 5 KKBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000409189682 1072875097 /nfs/dbraw/zinc/87/50/97/1072875097.db2.gz MYKBHCJPZPFQCH-DOJIRPKPSA-N 0 0 504.882 5.220 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409189553 1072876799 /nfs/dbraw/zinc/87/67/99/1072876799.db2.gz QIITYUMCPOUQDF-TZUCAZQYSA-N 0 0 765.701 6.840 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409189102 1072879334 /nfs/dbraw/zinc/87/93/34/1072879334.db2.gz CSWMFVQMXMMTOH-GSFJQCGGSA-N 0 0 779.300 6.935 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409188909 1072879937 /nfs/dbraw/zinc/87/99/37/1072879937.db2.gz CDVUDUULBYKBQM-SOFGKXIESA-N 0 0 598.203 6.083 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409188626 1072881518 /nfs/dbraw/zinc/88/15/18/1072881518.db2.gz IGKCTDAKHGMJAG-ORAUUZGKSA-N 0 0 632.648 6.737 40 5 KKBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000409188611 1072881632 /nfs/dbraw/zinc/88/16/32/1072881632.db2.gz HUSBWFBYFRSPKP-GRSHGNNSSA-N 0 0 513.289 5.474 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206199 1072894509 /nfs/dbraw/zinc/89/45/09/1072894509.db2.gz WBIJMZKQJDUSBX-BHGWPJFGSA-N 0 0 568.007 5.819 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409205890 1072895616 /nfs/dbraw/zinc/89/56/16/1072895616.db2.gz QJIQIVKIBKJWCU-WSDLNYQXSA-N 0 0 569.979 5.668 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205681 1072896071 /nfs/dbraw/zinc/89/60/71/1072896071.db2.gz JKQNFHGXYQWOAB-ZVBGSRNCSA-N 0 0 663.846 6.395 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204785 1072902029 /nfs/dbraw/zinc/90/20/29/1072902029.db2.gz KERVETYSPGJZCL-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409204419 1072905102 /nfs/dbraw/zinc/90/51/02/1072905102.db2.gz GZESBXPQNOWFHK-BRJLIKDPSA-N 0 0 622.568 5.140 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409203640 1072909132 /nfs/dbraw/zinc/90/91/32/1072909132.db2.gz YEOGMHNKEDGKTP-AFUMVMLFSA-N 0 0 547.589 5.420 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201524 1072917699 /nfs/dbraw/zinc/91/76/99/1072917699.db2.gz NZXOIXKLCFXRMU-UFFVCSGVSA-N 0 0 527.898 6.198 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409199793 1072923759 /nfs/dbraw/zinc/92/37/59/1072923759.db2.gz DMDJNCWKFUDYQM-KEBDBYFISA-N 0 0 718.694 7.277 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409199331 1072926452 /nfs/dbraw/zinc/92/64/52/1072926452.db2.gz CIQWBQLWCXUTFG-WSDLNYQXSA-N 0 0 636.851 7.071 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198612 1072930051 /nfs/dbraw/zinc/93/00/51/1072930051.db2.gz INXQDUGOVBMYKS-JFLMPSFJSA-N 0 0 569.595 6.011 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197399 1072936003 /nfs/dbraw/zinc/93/60/03/1072936003.db2.gz DOTMEPYXULRWDE-ZVBGSRNCSA-N 0 0 579.425 5.180 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409207425 1072942170 /nfs/dbraw/zinc/94/21/70/1072942170.db2.gz WQPWZFUAJWVRQR-JAIQZWGSSA-N 0 0 522.564 5.179 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 ZINC000409224346 1072983375 /nfs/dbraw/zinc/98/33/75/1072983375.db2.gz KYQCWHHNIRYFER-SSDVNMTOSA-N 0 0 607.360 7.088 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409223367 1072988246 /nfs/dbraw/zinc/98/82/46/1072988246.db2.gz ZFEOFMKLWDAQLR-WSDLNYQXSA-N 0 0 588.425 6.164 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccc(Br)cc1 ZINC000409223383 1072988869 /nfs/dbraw/zinc/98/88/69/1072988869.db2.gz FEUCWVWAPNQXDO-RGVLZGJSSA-N 0 0 513.325 5.537 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409223113 1072989676 /nfs/dbraw/zinc/98/96/76/1072989676.db2.gz GLZGTEWMDSLYJS-WSDLNYQXSA-N 0 0 505.464 5.215 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409221427 1072998535 /nfs/dbraw/zinc/99/85/35/1072998535.db2.gz QCCATKVNCUTVPZ-XDHOZWIPSA-N 0 0 507.362 5.009 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1Cl ZINC000409221175 1073000513 /nfs/dbraw/zinc/00/05/13/1073000513.db2.gz LYSBBGLIFHRADR-WSDLNYQXSA-N 0 0 602.850 6.265 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409220449 1073004811 /nfs/dbraw/zinc/00/48/11/1073004811.db2.gz ZUUXYJKJFYQPIG-WSDLNYQXSA-N 0 0 528.464 6.325 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409219289 1073009230 /nfs/dbraw/zinc/00/92/30/1073009230.db2.gz KYKSYLUPDBQRFS-FSJBWODESA-N 0 0 535.490 5.223 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409230101 1073016815 /nfs/dbraw/zinc/01/68/15/1073016815.db2.gz BMZPDGVPSHJSLR-FYJGNVAPSA-N 0 0 554.481 5.500 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409228071 1073029531 /nfs/dbraw/zinc/02/95/31/1073029531.db2.gz SZLNZHGASWWJPC-YDZHTSKRSA-N 0 0 553.980 5.511 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409227770 1073030690 /nfs/dbraw/zinc/03/06/90/1073030690.db2.gz WNOYOLHGTPDMTE-ZMOGYAJESA-N 0 0 583.416 5.864 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409227397 1073031802 /nfs/dbraw/zinc/03/18/02/1073031802.db2.gz YEGJVSATNLSCKG-SSDVNMTOSA-N 0 0 541.944 5.641 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409236585 1073037160 /nfs/dbraw/zinc/03/71/60/1073037160.db2.gz TUOLDAWMSXNUAY-YDZHTSKRSA-N 0 0 609.433 5.039 40 5 KKBBRN O=C1NC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409235718 1073042365 /nfs/dbraw/zinc/04/23/65/1073042365.db2.gz DFWGJAAWZWHDKM-UDWIEESQSA-N 0 0 528.746 5.687 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409234497 1073050287 /nfs/dbraw/zinc/05/02/87/1073050287.db2.gz LCDWRESJONKPJA-CIAFOILYSA-N 0 0 551.415 5.408 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409234248 1073050553 /nfs/dbraw/zinc/05/05/53/1073050553.db2.gz JNNWXUOPQFLEAB-LPYMAVHISA-N 0 0 569.355 5.180 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409233261 1073056322 /nfs/dbraw/zinc/05/63/22/1073056322.db2.gz ULCQJSPYZHPWQA-ZVHZXABRSA-N 0 0 598.033 5.910 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409232132 1073062651 /nfs/dbraw/zinc/06/26/51/1073062651.db2.gz NFXYTNLIKBVBQL-RGVLZGJSSA-N 0 0 558.772 5.696 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1Cl ZINC000409232050 1073063436 /nfs/dbraw/zinc/06/34/36/1073063436.db2.gz MTDUTFMOJSKNJS-SRZZPIQSSA-N 0 0 775.746 6.711 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409230795 1073067978 /nfs/dbraw/zinc/06/79/78/1073067978.db2.gz GRPNDQUZTVMJIV-FSJBWODESA-N 0 0 585.997 6.040 40 5 KKBBRN COCCCN1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409246399 1073077001 /nfs/dbraw/zinc/07/70/01/1073077001.db2.gz HTYSSYAPSFXDPG-RGVLZGJSSA-N 0 0 537.388 5.018 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409245902 1073081596 /nfs/dbraw/zinc/08/15/96/1073081596.db2.gz AQNZOTIWOKVUPS-WSDLNYQXSA-N 0 0 636.851 6.677 40 5 KKBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409245236 1073084489 /nfs/dbraw/zinc/08/44/89/1073084489.db2.gz PLUDVOHFIBYRPT-AFUMVMLFSA-N 0 0 561.019 6.235 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409244440 1073089236 /nfs/dbraw/zinc/08/92/36/1073089236.db2.gz CRIMOXDSLITRQG-WOJGMQOQSA-N 0 0 524.336 5.225 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409243363 1073092966 /nfs/dbraw/zinc/09/29/66/1073092966.db2.gz YAZSMYZWFAJPSG-WSDLNYQXSA-N 0 0 573.505 6.090 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409242572 1073095949 /nfs/dbraw/zinc/09/59/49/1073095949.db2.gz OTCJOROAPZYZFY-ZMOGYAJESA-N 0 0 623.460 5.429 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409242605 1073096188 /nfs/dbraw/zinc/09/61/88/1073096188.db2.gz WXQSAJBEYXKMGR-SRZZPIQSSA-N 0 0 732.721 7.273 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)Nc1ccccc1Cl ZINC000409240623 1073107225 /nfs/dbraw/zinc/10/72/25/1073107225.db2.gz HETLXLRVCCLDQI-CVKSISIWSA-N 0 0 574.014 6.655 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 ZINC000409240355 1073109844 /nfs/dbraw/zinc/10/98/44/1073109844.db2.gz SUZDZYMSRFPQJJ-WSDLNYQXSA-N 0 0 512.349 5.882 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409239358 1073113774 /nfs/dbraw/zinc/11/37/74/1073113774.db2.gz MZECFLGPUAKUEE-WSDLNYQXSA-N 0 0 606.825 6.668 40 5 KKBBRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409238356 1073120215 /nfs/dbraw/zinc/12/02/15/1073120215.db2.gz XCICCNGXMIFIBL-LICLKQGHSA-N 0 0 539.180 5.002 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409254445 1073172804 /nfs/dbraw/zinc/17/28/04/1073172804.db2.gz XEKRSMWDOVQWHL-WSDLNYQXSA-N 0 0 588.425 6.164 40 5 KKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(-c2nc3ccccc3s2)cc1Br ZINC000409253046 1073183915 /nfs/dbraw/zinc/18/39/15/1073183915.db2.gz VRRLUBNGVXFGQF-UHFFFAOYSA-N 0 0 574.172 8.208 40 5 KKBBRN O=c1[nH]c(-c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)nc2sc3c(c21)CCCC3 ZINC000409252624 1073187055 /nfs/dbraw/zinc/18/70/55/1073187055.db2.gz CQQGEYGZHJAGRN-UHFFFAOYSA-N 0 0 591.281 6.955 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409251769 1073190526 /nfs/dbraw/zinc/19/05/26/1073190526.db2.gz WAYKXYYNYLIPBL-ZVHZXABRSA-N 0 0 623.460 5.429 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409265842 1073205334 /nfs/dbraw/zinc/20/53/34/1073205334.db2.gz WETRXHKLCLEWPA-ZMOGYAJESA-N 0 0 642.440 6.162 40 5 KKBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409263397 1073218531 /nfs/dbraw/zinc/21/85/31/1073218531.db2.gz MNJMKHMOCHNMES-SSDVNMTOSA-N 0 0 652.401 6.852 40 5 KKBBRN Cc1c(C=O)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409263229 1073218925 /nfs/dbraw/zinc/21/89/25/1073218925.db2.gz LSSJXHLDNHPXST-JJFYIABZSA-N 0 0 540.395 5.814 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409260889 1073231005 /nfs/dbraw/zinc/23/10/05/1073231005.db2.gz YCJRNRYRGCEOBY-BHGWPJFGSA-N 0 0 613.004 6.331 40 5 KKBBRN COC(=O)c1ccc(Oc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OC)c([N+](=O)[O-])c1 ZINC000409257569 1073251790 /nfs/dbraw/zinc/25/17/90/1073251790.db2.gz TVJQTAOGTWVUFO-UHFFFAOYSA-N 0 0 507.524 5.438 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000409272554 1073254228 /nfs/dbraw/zinc/25/42/28/1073254228.db2.gz ZWNHOVOJIGZNEH-UHFFFAOYSA-N 0 0 550.036 6.513 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409272594 1073254628 /nfs/dbraw/zinc/25/46/28/1073254628.db2.gz NNMJEVYRZLHCLB-WYMPLXKRSA-N 0 0 538.965 5.755 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409272325 1073256455 /nfs/dbraw/zinc/25/64/55/1073256455.db2.gz YDYKPWVAUMDLCR-LSFURLLWSA-N 0 0 686.846 7.505 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409272249 1073256959 /nfs/dbraw/zinc/25/69/59/1073256959.db2.gz FNXVGEONYDGNOO-WSDLNYQXSA-N 0 0 534.550 5.083 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272131 1073257697 /nfs/dbraw/zinc/25/76/97/1073257697.db2.gz LTZADRYADFRMPS-FOKLQQMPSA-N 0 0 543.384 6.400 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409272184 1073258559 /nfs/dbraw/zinc/25/85/59/1073258559.db2.gz MFSBWTKPVLFNDH-LSHDLFTRSA-N 0 0 584.950 5.632 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409271847 1073260430 /nfs/dbraw/zinc/26/04/30/1073260430.db2.gz DCVBHQBDFQHZMO-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409271879 1073260678 /nfs/dbraw/zinc/26/06/78/1073260678.db2.gz DOULFDQQNIUHFK-FMCGGJTJSA-N 0 0 598.387 5.764 40 5 KKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1C ZINC000409271871 1073260732 /nfs/dbraw/zinc/26/07/32/1073260732.db2.gz DKBDIIFPDXCVCP-MTJSOVHGSA-N 0 0 504.524 5.074 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c(OC)c1 ZINC000409271082 1073265488 /nfs/dbraw/zinc/26/54/88/1073265488.db2.gz IWBFLFFGRNFDKY-GSTVVXAASA-N 0 0 653.761 5.036 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000409270561 1073269680 /nfs/dbraw/zinc/26/96/80/1073269680.db2.gz HGXCIYCZWNXXJK-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409270243 1073271793 /nfs/dbraw/zinc/27/17/93/1073271793.db2.gz OABFFJOOACZWCJ-SSDVNMTOSA-N 0 0 541.969 5.809 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409269735 1073275002 /nfs/dbraw/zinc/27/50/02/1073275002.db2.gz MFQPQUUGMPDKDX-DHRITJCHSA-N 0 0 592.586 5.986 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1 ZINC000409269297 1073278315 /nfs/dbraw/zinc/27/83/15/1073278315.db2.gz AVQKAZLAUCEOPR-GJKZIJEQSA-N 0 0 623.735 5.027 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409269075 1073280452 /nfs/dbraw/zinc/28/04/52/1073280452.db2.gz DOZARSFQAXYVAU-FMCGGJTJSA-N 0 0 553.980 5.511 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409276231 1073290649 /nfs/dbraw/zinc/29/06/49/1073290649.db2.gz ZBOZRVPTKFJYLW-DHRITJCHSA-N 0 0 587.437 6.799 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409276076 1073292547 /nfs/dbraw/zinc/29/25/47/1073292547.db2.gz YFLMNBVGQTXJOO-DHRITJCHSA-N 0 0 547.589 5.474 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409276067 1073294582 /nfs/dbraw/zinc/29/45/82/1073294582.db2.gz XZVKLTFVDRMAFP-AFUMVMLFSA-N 0 0 552.992 6.145 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409275783 1073296196 /nfs/dbraw/zinc/29/61/96/1073296196.db2.gz WUJRRSJGRPLPBX-SSDVNMTOSA-N 0 0 560.993 5.574 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc(Cl)cc1 ZINC000409275302 1073300627 /nfs/dbraw/zinc/30/06/27/1073300627.db2.gz UCMBLTIKYYNQSC-KEBDBYFISA-N 0 0 547.770 6.190 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409275222 1073301409 /nfs/dbraw/zinc/30/14/09/1073301409.db2.gz SPTSXBLTSBDZJA-AFUMVMLFSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409275186 1073302360 /nfs/dbraw/zinc/30/23/60/1073302360.db2.gz SISKDZOUGQQBCN-JAIQZWGSSA-N 0 0 520.872 7.300 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409275085 1073302727 /nfs/dbraw/zinc/30/27/27/1073302727.db2.gz HZAZYZIMWOYNPF-KMCFWPMWSA-N 0 0 717.642 5.851 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409274761 1073305875 /nfs/dbraw/zinc/30/58/75/1073305875.db2.gz XMEPTBKWARSNIV-IEIVDPGYSA-N 0 0 638.746 5.089 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409274709 1073306739 /nfs/dbraw/zinc/30/67/39/1073306739.db2.gz WWWMYJASEUTVSW-GSASKQFNSA-N 0 0 668.772 5.097 40 5 KKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)CC1 ZINC000409274547 1073308664 /nfs/dbraw/zinc/30/86/64/1073308664.db2.gz PKILXYRPFBXTGQ-CIAFOILYSA-N 0 0 549.527 5.701 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274277 1073311629 /nfs/dbraw/zinc/31/16/29/1073311629.db2.gz OIBZRQWKWKSPDQ-GJKZIJEQSA-N 0 0 616.784 5.846 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409273748 1073317272 /nfs/dbraw/zinc/31/72/72/1073317272.db2.gz SBXFQHYRPVYWGQ-SRZZPIQSSA-N 0 0 530.967 5.565 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCc2ccccc2C1 ZINC000409277113 1073323800 /nfs/dbraw/zinc/32/38/00/1073323800.db2.gz ZECFDMLTUDKTMV-WSDLNYQXSA-N 0 0 523.954 5.129 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cn(CCOc3ccccc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409276749 1073326182 /nfs/dbraw/zinc/32/61/82/1073326182.db2.gz VVRLJOJHCAFMNM-QQXSKIMKSA-N 0 0 527.558 5.548 40 5 KKBBRN O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409276825 1073326955 /nfs/dbraw/zinc/32/69/55/1073326955.db2.gz WVBICONURNKSNP-UKWGHVSLSA-N 0 0 599.768 8.063 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409273279 1073334029 /nfs/dbraw/zinc/33/40/29/1073334029.db2.gz JPIZWEBZTQIZHU-FBHDLOMBSA-N 0 0 550.898 7.309 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCc2ccccc2C1 ZINC000409273211 1073335788 /nfs/dbraw/zinc/33/57/88/1073335788.db2.gz JDXSHJNLFIEAIO-WSDLNYQXSA-N 0 0 523.954 5.129 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000059331400 193893863 /nfs/dbraw/zinc/89/38/63/193893863.db2.gz MKBMGLLOWXKENP-UHFFFAOYSA-N 0 0 518.595 5.730 40 5 KKBBRN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 ZINC000059464339 193899795 /nfs/dbraw/zinc/89/97/95/193899795.db2.gz BCQLGINSNIOFQU-UHFFFAOYSA-N 0 0 506.496 5.563 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224507436 193952477 /nfs/dbraw/zinc/95/24/77/193952477.db2.gz JLJANIYBUBUOJK-LJAQVGFWSA-N 0 0 691.634 6.280 40 5 KKBBRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000000902022 551565438 /nfs/dbraw/zinc/56/54/38/551565438.db2.gz PSDSXSFBNZETDV-UHFFFAOYSA-N 0 0 522.383 5.336 40 5 KKBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000001239845 551630559 /nfs/dbraw/zinc/63/05/59/551630559.db2.gz NDDWDIUNRULTLD-BDTNDASRSA-N 0 0 555.996 5.154 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Br)cc1/C=C/c1ccccc1Br ZINC000001714396 551690320 /nfs/dbraw/zinc/69/03/20/551690320.db2.gz XPNJDUJJRXINIT-WGDLNXRISA-N 0 0 530.172 7.369 40 5 KKBBRN Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001708971 551690351 /nfs/dbraw/zinc/69/03/51/551690351.db2.gz ULHGKYKIBALTIL-UHFFFAOYSA-N 0 0 589.816 6.654 40 5 KKBBRN CCOc1c(/C=C/c2cc(/C=C/c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC ZINC000001714455 551690364 /nfs/dbraw/zinc/69/03/64/551690364.db2.gz DPZMSMVRPKNORN-WXUKJITCSA-N 0 0 520.538 6.658 40 5 KKBBRN COc1ccc(Oc2cc(C[C@H]3c4cc(OC)c(OC)cc4CCN3C)c([N+](=O)[O-])cc2OC)cc1OC ZINC000001728459 551690864 /nfs/dbraw/zinc/69/08/64/551690864.db2.gz ZXMMPJVLFAYCRR-QFIPXVFZSA-N 0 0 524.570 5.202 40 5 KKBBRN CC(C)(c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000001840194 551713982 /nfs/dbraw/zinc/71/39/82/551713982.db2.gz KTIVMOITRBQLSI-UHFFFAOYSA-N 0 0 595.391 7.574 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001848330 551715140 /nfs/dbraw/zinc/71/51/40/551715140.db2.gz MJBBCGHKUWEENV-RILDOFPPSA-N 0 0 510.377 7.875 40 5 KKBBRN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000001864482 551717775 /nfs/dbraw/zinc/71/77/75/551717775.db2.gz PWKURUDMFHDOQY-UHFFFAOYSA-N 0 0 568.969 7.304 40 5 KKBBRN O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000002756603 552178448 /nfs/dbraw/zinc/17/84/48/552178448.db2.gz KVXMVPWOXMKZIE-UHFFFAOYSA-N 0 0 539.123 6.007 40 5 KKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000002798749 552193431 /nfs/dbraw/zinc/19/34/31/552193431.db2.gz SFAYMOFCVKQNNJ-UHFFFAOYSA-N 0 0 570.524 6.831 40 5 KKBBRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003145621 552297013 /nfs/dbraw/zinc/29/70/13/552297013.db2.gz VYBHFHDUCXXTNN-UHFFFAOYSA-N 0 0 583.812 5.445 40 5 KKBBRN CCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCC)c3cc21 ZINC000003191196 552302070 /nfs/dbraw/zinc/30/20/70/552302070.db2.gz HMWBZJHCUOIIKD-UHFFFAOYSA-N 0 0 504.586 7.251 40 5 KKBBRN CC(=O)/N=c1\c(-c2ccccc2)cc2cc3cc(-c4ccccc4)/c(=N\C(C)=O)n(C(C)=O)c3cc2n1C(C)=O ZINC000004266329 552454905 /nfs/dbraw/zinc/45/49/05/552454905.db2.gz VFQLMCHZZXTWRN-FMWAKIAMSA-N 0 0 530.584 5.145 40 5 KKBBRN CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 ZINC000004292733 552457005 /nfs/dbraw/zinc/45/70/05/552457005.db2.gz BOPDSOWRVCSFON-UHFFFAOYSA-N 0 0 546.388 5.764 40 5 KKBBRN COC(=O)CCc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5C)c(C=O)c4C)c(C=O)c3C ZINC000004429395 552460840 /nfs/dbraw/zinc/46/08/40/552460840.db2.gz HGSYXOHTQBPXFQ-UHFFFAOYSA-N 0 0 594.668 5.940 40 5 KKBBRN CCOC(=O)c1c2ccc3ccc4cccnc4c3n2c(C(=O)c2ccc(Cl)cc2)c1C(=O)OCC ZINC000004543097 552465255 /nfs/dbraw/zinc/46/52/55/552465255.db2.gz KHUSRWZYYNYGDG-UHFFFAOYSA-N 0 0 500.938 5.879 40 5 KKBBRN CCOC(=O)CCc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(CCC(=O)OCC)c5C)c(CC)c4C)c(CC)c3C ZINC000004769428 552481211 /nfs/dbraw/zinc/48/12/11/552481211.db2.gz IDPOAEMBVQWVOI-UHFFFAOYSA-N 0 0 622.810 8.220 40 5 KKBBRN COc1cc(CC(Cc2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000004976486 552491222 /nfs/dbraw/zinc/49/12/22/552491222.db2.gz OAAKFKBWPLKHHL-UHFFFAOYSA-N 0 0 621.680 5.101 40 5 KKBBRN CC1(C)O[C@@H](C(SCc2ccccc2)SCc2ccccc2)[C@@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000004991054 552491339 /nfs/dbraw/zinc/49/13/39/552491339.db2.gz FHVAEXJDMFGHSI-TWJOJJKGSA-N 0 0 569.701 5.826 40 5 KKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc(OCc3ccccc3)c2)cc1/C=C\c1cccc(OCc2ccccc2)c1 ZINC000005080566 552493197 /nfs/dbraw/zinc/49/31/97/552493197.db2.gz ZBBKRYQXGLTDAZ-CLFAGFIQSA-N 0 0 584.628 9.002 40 5 KKBBRN O=C(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 ZINC000005340406 552497666 /nfs/dbraw/zinc/49/76/66/552497666.db2.gz IFNGUSWXGUKLEO-SMQQDBPSSA-N 0 0 514.624 8.051 40 5 KKBBRN O=c1c2ccc(S(=O)(=O)c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)c3cccc(c4nc5ccccc5n41)c32 ZINC000005479283 552503013 /nfs/dbraw/zinc/50/30/13/552503013.db2.gz PAZQQCMVOCVSQF-UHFFFAOYSA-N 0 0 602.631 6.330 40 5 KKBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005949413 552516369 /nfs/dbraw/zinc/51/63/69/552516369.db2.gz RJYLSGRSNWZBCU-UHFFFAOYSA-N 0 0 570.902 5.921 40 5 KKBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000006136531 552542129 /nfs/dbraw/zinc/54/21/29/552542129.db2.gz AUPHTCHPSDIWTE-UHFFFAOYSA-N 0 0 540.399 5.344 40 5 KKBBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4ccc(C)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000006246330 552575019 /nfs/dbraw/zinc/57/50/19/552575019.db2.gz PIXWISQJJYOXSR-UHFFFAOYSA-N 0 0 529.021 7.643 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280870 552577000 /nfs/dbraw/zinc/57/70/00/552577000.db2.gz UZBKLBUGKJOHOX-UHFFFAOYSA-N 0 0 524.400 5.644 40 5 KKBBRN Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 ZINC000006442618 552584937 /nfs/dbraw/zinc/58/49/37/552584937.db2.gz IGFBGANUIVKQMO-IBGZPJMESA-N 0 0 502.600 5.524 40 5 KKBBRN CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@@H](O)N2[C@H]1c1ccc(Cl)cc1 ZINC000006544943 552598031 /nfs/dbraw/zinc/59/80/31/552598031.db2.gz GQXFPRLTTCKRAU-OVBLJXLHSA-N 0 0 586.453 6.818 40 5 KKBBRN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008833184 553159813 /nfs/dbraw/zinc/15/98/13/553159813.db2.gz LUMCOAXMSQBTMC-UHFFFAOYSA-N 0 0 515.595 5.692 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000008835204 553161522 /nfs/dbraw/zinc/16/15/22/553161522.db2.gz OWFRAMSRAFTIME-UHFFFAOYSA-N 0 0 506.540 5.197 40 5 KKBBRN O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008835837 553162590 /nfs/dbraw/zinc/16/25/90/553162590.db2.gz YDGXHMYQEWFMNN-UHFFFAOYSA-N 0 0 514.563 5.095 40 5 KKBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008898396 553180218 /nfs/dbraw/zinc/18/02/18/553180218.db2.gz PLSSJBRZIQOWPI-UHFFFAOYSA-N 0 0 502.040 5.212 40 5 KKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000008903894 553183277 /nfs/dbraw/zinc/18/32/77/553183277.db2.gz MDBBNASVTVJYAN-UHFFFAOYSA-N 0 0 502.527 5.663 40 5 KKBBRN CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000009075838 553207459 /nfs/dbraw/zinc/20/74/59/553207459.db2.gz WNUSWKUQRMNRRP-VJGNERBWSA-N 0 0 515.566 5.605 40 5 KKBBRN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(Br)cc23)cc1[N+](=O)[O-] ZINC000009371781 553250455 /nfs/dbraw/zinc/25/04/55/553250455.db2.gz JORGTMRNXMTHNJ-UHFFFAOYSA-N 0 0 510.775 7.095 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010334675 553334465 /nfs/dbraw/zinc/33/44/65/553334465.db2.gz ZKUJEPDKTPKFOX-UHFFFAOYSA-N 0 0 508.383 5.429 40 5 KKBBRN Cc1ccc(-c2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3n2)cc1 ZINC000012488004 553378671 /nfs/dbraw/zinc/37/86/71/553378671.db2.gz BECWMSKNYAXVFD-UHFFFAOYSA-N 0 0 511.650 8.215 40 5 KKBBRN O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000013602152 553477474 /nfs/dbraw/zinc/47/74/74/553477474.db2.gz BISOOILWRAATQT-UHFFFAOYSA-N 0 0 501.245 5.098 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1F ZINC000013778587 553490197 /nfs/dbraw/zinc/49/01/97/553490197.db2.gz NSKVQDNPYBRCIR-ACRUOGEOSA-N 0 0 502.285 5.092 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000013805862 553491795 /nfs/dbraw/zinc/49/17/95/553491795.db2.gz FVWZUVLOVQAJFF-HJOGWXRNSA-N 0 0 507.930 5.088 40 5 KKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014274101 553506979 /nfs/dbraw/zinc/50/69/79/553506979.db2.gz XHMMLLNWLAQIGQ-UHFFFAOYSA-N 0 0 503.380 6.019 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274353 553507258 /nfs/dbraw/zinc/50/72/58/553507258.db2.gz PXTXTIZOHZMNFE-UHFFFAOYSA-N 0 0 501.568 5.520 40 5 KKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1sc2cc(Cl)ccc2c1Cl ZINC000014275257 553508044 /nfs/dbraw/zinc/50/80/44/553508044.db2.gz HIOSOSTYIGXARL-UHFFFAOYSA-N 0 0 505.202 6.006 40 5 KKBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014275304 553508277 /nfs/dbraw/zinc/50/82/77/553508277.db2.gz BRLLWWGUVHDVJS-UHFFFAOYSA-N 0 0 500.561 6.258 40 5 KKBBRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014276327 553509328 /nfs/dbraw/zinc/50/93/28/553509328.db2.gz REZSHPATFSYPDG-UHFFFAOYSA-N 0 0 514.563 5.095 40 5 KKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1Cl ZINC000014277362 553510154 /nfs/dbraw/zinc/51/01/54/553510154.db2.gz PXUIXGNEVRPSIG-UHFFFAOYSA-N 0 0 507.201 5.553 40 5 KKBBRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000014291247 553511851 /nfs/dbraw/zinc/51/18/51/553511851.db2.gz OLLZRAMPRHSKCF-UHFFFAOYSA-N 0 0 522.989 5.170 40 5 KKBBRN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)Nc1ccccc1-2 ZINC000015015450 553525741 /nfs/dbraw/zinc/52/57/41/553525741.db2.gz BIGMLHMBBXMHJB-DEOSSOPVSA-N 0 0 503.584 6.882 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000015231473 553530063 /nfs/dbraw/zinc/53/00/63/553530063.db2.gz VIFKKLWURPLSEF-SANMLTNESA-N 0 0 505.486 6.093 40 5 KKBBRN O=C(c1ccccc1)c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016476984 553565689 /nfs/dbraw/zinc/56/56/89/553565689.db2.gz QDQBCDGPDGTNBV-UHFFFAOYSA-N 0 0 501.607 7.910 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611045 553569489 /nfs/dbraw/zinc/56/94/89/553569489.db2.gz OOEAHNJGIFUTEI-CQSZACIVSA-N 0 0 519.539 5.952 40 5 KKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000020153117 553597440 /nfs/dbraw/zinc/59/74/40/553597440.db2.gz UVHFARJTRMBTFC-UHFFFAOYSA-N 0 0 508.600 5.019 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000019855862 553624889 /nfs/dbraw/zinc/62/48/89/553624889.db2.gz ONNJKECWZLJCHA-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000070708110 553632007 /nfs/dbraw/zinc/63/20/07/553632007.db2.gz QHBDOQVXTRCLED-UHFFFAOYSA-N 0 0 526.518 5.573 40 5 biogenic KKBBRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)c3ccnc5c3n4c(=O)c3ccccc35)ccc21 ZINC000070708130 553632024 /nfs/dbraw/zinc/63/20/24/553632024.db2.gz JXEWTXNGUMJFIG-UHFFFAOYSA-N 0 0 536.591 6.737 40 5 biogenic KKBBRN COc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc(OC)c1 ZINC000070708132 553632288 /nfs/dbraw/zinc/63/22/88/553632288.db2.gz QMMLJPVZKHJOBC-INIZCTEOSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708245 553632291 /nfs/dbraw/zinc/63/22/91/553632291.db2.gz XIVQZSSTRPPFCT-INIZCTEOSA-N 0 0 553.571 5.032 40 5 biogenic KKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nc(NC(=O)c5ccco5)sc4c3)o2)c([N+](=O)[O-])c1 ZINC000020411084 553646311 /nfs/dbraw/zinc/64/63/11/553646311.db2.gz ARLKKXGVQBAAGU-UHFFFAOYSA-N 0 0 504.480 5.571 40 5 KKBBRN CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C/C(C)=C\C=C\C=C(C)/C=C/C=C(C)\C=C\C=C(\C)CCC=C(C)C ZINC000073316185 553653293 /nfs/dbraw/zinc/65/32/93/553653293.db2.gz OAIJSZIZWZSQBC-LWRKPGOESA-N 0 0 536.888 12.938 40 5 KKBBRN CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1 ZINC000073333333 553653385 /nfs/dbraw/zinc/65/33/85/553653385.db2.gz OQIZCRJKMAIVFS-UHFFFAOYSA-N 0 0 576.453 5.942 40 5 KKBBRN CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000073417866 553653887 /nfs/dbraw/zinc/65/38/87/553653887.db2.gz CTJHYLBAWNFFTC-UHFFFAOYSA-N 0 0 556.619 5.904 40 5 KKBBRN COc1ccc([C@@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 ZINC000082178343 553674428 /nfs/dbraw/zinc/67/44/28/553674428.db2.gz GLCKNHHVKAHVQM-HNRBIFIRSA-N 0 0 632.536 6.295 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000021576183 553712781 /nfs/dbraw/zinc/71/27/81/553712781.db2.gz FASFGEYJJHAHEN-UHFFFAOYSA-N 0 0 504.930 5.209 40 5 KKBBRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000021595206 553714712 /nfs/dbraw/zinc/71/47/12/553714712.db2.gz HJCDYPIDLJJHMR-UHFFFAOYSA-N 0 0 505.987 6.792 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000022828142 553753895 /nfs/dbraw/zinc/75/38/95/553753895.db2.gz VILBMUNABGNUCZ-MRXNPFEDSA-N 0 0 504.568 5.809 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000096400861 553753934 /nfs/dbraw/zinc/75/39/34/553753934.db2.gz WTCSQFIIUQPWLP-BKIZBIRHSA-N 0 0 507.924 6.963 40 5 KKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000022830307 553754705 /nfs/dbraw/zinc/75/47/05/553754705.db2.gz BEGODEGBUJGDRE-UHFFFAOYSA-N 0 0 506.540 5.164 40 5 KKBBRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000022830922 553755018 /nfs/dbraw/zinc/75/50/18/553755018.db2.gz BZGQCEMECFXLKO-UHFFFAOYSA-N 0 0 506.946 5.708 40 5 KKBBRN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022831180 553755165 /nfs/dbraw/zinc/75/51/65/553755165.db2.gz ZOEKUZZRBJDCBU-UHFFFAOYSA-N 0 0 507.344 6.018 40 5 KKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022832087 553755515 /nfs/dbraw/zinc/75/55/15/553755515.db2.gz IICKLUKHNIGPIZ-UHFFFAOYSA-N 0 0 507.757 6.579 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022834421 553756501 /nfs/dbraw/zinc/75/65/01/553756501.db2.gz JSQVWGMVGCKCEC-XYOKQWHBSA-N 0 0 510.381 6.630 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000022837154 553757338 /nfs/dbraw/zinc/75/73/38/553757338.db2.gz YLGXUQPRGPWVKM-UHFFFAOYSA-N 0 0 513.000 6.050 40 5 KKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022837390 553757429 /nfs/dbraw/zinc/75/74/29/553757429.db2.gz CQXYOMJOMLGOQO-UHFFFAOYSA-N 0 0 513.337 5.799 40 5 KKBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000022839641 553758271 /nfs/dbraw/zinc/75/82/71/553758271.db2.gz BHHSWGLEXSRAIQ-UHFFFAOYSA-N 0 0 515.353 5.243 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000022840448 553758673 /nfs/dbraw/zinc/75/86/73/553758673.db2.gz MYDQVJIHEDYAEG-UHFFFAOYSA-N 0 0 515.957 6.837 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000022847475 553760687 /nfs/dbraw/zinc/76/06/87/553760687.db2.gz UKWJIEIDMDSAGB-UHFFFAOYSA-N 0 0 523.018 5.760 40 5 KKBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@H](c5ccccc5)C[C@@H]6C(F)F)nc34)c21 ZINC000097945895 553775181 /nfs/dbraw/zinc/77/51/81/553775181.db2.gz INDMANXMLOJNSL-GOEBONIOSA-N 0 0 538.534 6.360 40 5 KKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000029492836 553846117 /nfs/dbraw/zinc/84/61/17/553846117.db2.gz IFCRIGXJPYGPDX-UHFFFAOYSA-N 0 0 541.656 6.034 40 5 KKBBRN Cc1ccc(C)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(C)ccc3C)C2c2cccc([N+](=O)[O-])c2)c1 ZINC000031772127 553861818 /nfs/dbraw/zinc/86/18/18/553861818.db2.gz CLFWMPLPODISRU-UHFFFAOYSA-N 0 0 524.621 6.341 40 5 KKBBRN Cc1cc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115519 553864730 /nfs/dbraw/zinc/86/47/30/553864730.db2.gz ROFFBSIEGIFBPE-FMIVXFBMSA-N 0 0 500.536 5.428 40 5 KKBBRN Cc1ccc(NC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)Nc4ccc(C)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000033354178 553928622 /nfs/dbraw/zinc/92/86/22/553928622.db2.gz AIMNKQNWBYRURV-UHFFFAOYSA-N 0 0 606.569 6.174 40 5 KKBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])ccc1Br ZINC000033625354 553964962 /nfs/dbraw/zinc/96/49/62/553964962.db2.gz QVPBTSAJHBHSTF-UHFFFAOYSA-N 0 0 500.692 5.064 40 5 KKBBRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033667103 553967047 /nfs/dbraw/zinc/96/70/47/553967047.db2.gz HTEFNPWWEGQYEC-UHFFFAOYSA-N 0 0 500.599 5.127 40 5 KKBBRN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000033715528 553969837 /nfs/dbraw/zinc/96/98/37/553969837.db2.gz QZPXFQYUDPGYPN-UHFFFAOYSA-N 0 0 512.551 5.278 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@H]4[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000097983152 554007732 /nfs/dbraw/zinc/00/77/32/554007732.db2.gz ZGIZYGDUIOIIGA-LLVBUMRLSA-N 0 0 561.494 8.826 40 5 KKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097983316 554008410 /nfs/dbraw/zinc/00/84/10/554008410.db2.gz ZDNBRCBWQVHZMF-BKIZBIRHSA-N 0 0 629.736 8.210 40 5 KKBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097983839 554012313 /nfs/dbraw/zinc/01/23/13/554012313.db2.gz VXGNXCVRIIXHSM-BDNBMYHQSA-N 0 0 610.623 5.326 40 5 KKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 ZINC000098048842 554162118 /nfs/dbraw/zinc/16/21/18/554162118.db2.gz HCUASSZGQJKMAB-PNJIRECESA-N 0 0 671.536 8.091 40 5 KKBBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000100134264 554226320 /nfs/dbraw/zinc/22/63/20/554226320.db2.gz DHAWIWDWAMRVLR-UHFFFAOYSA-N 0 0 607.629 7.830 40 5 KKBBRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000036628234 554228225 /nfs/dbraw/zinc/22/82/25/554228225.db2.gz QGLTZPOOWQFXLY-UHFFFAOYSA-N 0 0 518.577 5.267 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@H]2C)cc1 ZINC000100159669 554234035 /nfs/dbraw/zinc/23/40/35/554234035.db2.gz RDGAWNMUPQWZPI-KSSQQASVSA-N 0 0 573.693 8.001 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100239253 554259992 /nfs/dbraw/zinc/25/99/92/554259992.db2.gz AVGYFSCQMANWHE-WIXZECKYSA-N 0 0 543.620 5.146 40 5 KKBBRN Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000100239267 554260004 /nfs/dbraw/zinc/26/00/04/554260004.db2.gz IPNOEJKGVICOJE-WIXZECKYSA-N 0 0 543.620 5.146 40 5 KKBBRN COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000049762894 554325401 /nfs/dbraw/zinc/32/54/01/554325401.db2.gz SSIWVYBQEYMNGF-OTGDMCIHSA-N 0 0 692.724 6.810 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100341579 554326304 /nfs/dbraw/zinc/32/63/04/554326304.db2.gz WCCAMAFKRQNVFZ-FSJBWODESA-N 0 0 528.945 6.211 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000100341691 554326321 /nfs/dbraw/zinc/32/63/21/554326321.db2.gz USJBVDPWTHSBIL-LPYMAVHISA-N 0 0 525.380 6.173 40 5 KKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000100343541 554329372 /nfs/dbraw/zinc/32/93/72/554329372.db2.gz FTSVRHDEGAXTDB-XKZIYDEJSA-N 0 0 540.022 6.383 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100347296 554330224 /nfs/dbraw/zinc/33/02/24/554330224.db2.gz BLMZWCZJMVJXDF-FSJBWODESA-N 0 0 558.565 5.055 40 5 KKBBRN Cc1cc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Br)c2)ccc1[N+](=O)[O-] ZINC000100355588 554335291 /nfs/dbraw/zinc/33/52/91/554335291.db2.gz BUWIJVILUFYZLW-UHFFFAOYSA-N 0 0 515.272 5.321 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000100363124 554347147 /nfs/dbraw/zinc/34/71/47/554347147.db2.gz BUOOMYDPVLSZRH-WYMPLXKRSA-N 0 0 538.412 7.141 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000100364660 554350477 /nfs/dbraw/zinc/35/04/77/554350477.db2.gz BMFSDEJRCNJAED-ZMOGYAJESA-N 0 0 559.427 7.116 40 5 KKBBRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000057315685 554354597 /nfs/dbraw/zinc/35/45/97/554354597.db2.gz MNGRLDOZAMAJOE-FMIVXFBMSA-N 0 0 508.962 5.219 40 5 KKBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000057315736 554354556 /nfs/dbraw/zinc/35/45/56/554354556.db2.gz DSZSKTOMJZWMEH-UHFFFAOYSA-N 0 0 507.399 5.427 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000100369755 554355786 /nfs/dbraw/zinc/35/57/86/554355786.db2.gz CECXMBPLNNMQKW-UCQKPKSFSA-N 0 0 535.603 5.738 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000100390473 554366441 /nfs/dbraw/zinc/36/64/41/554366441.db2.gz KIRCSOIFZZVGLH-DHIUTWEWSA-N 0 0 534.952 6.077 40 5 KKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1Cl ZINC000059294245 554387746 /nfs/dbraw/zinc/38/77/46/554387746.db2.gz NTWNOXKLGGWSIZ-UHFFFAOYSA-N 0 0 515.035 6.234 40 5 KKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294267 554387749 /nfs/dbraw/zinc/38/77/49/554387749.db2.gz BMSCZJIFRYHCBN-UHFFFAOYSA-N 0 0 500.388 7.645 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 ZINC000059331504 554388836 /nfs/dbraw/zinc/38/88/36/554388836.db2.gz JUQFEKIEUUCFNO-UHFFFAOYSA-N 0 0 517.636 5.907 40 5 KKBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 ZINC000059331554 554389396 /nfs/dbraw/zinc/38/93/96/554389396.db2.gz QYAVOUFKEFWLDA-UHFFFAOYSA-N 0 0 516.583 5.224 40 5 KKBBRN CC1=CC(C)(C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)Cc3ccc([N+](=O)[O-])cc3)cc21 ZINC000059428111 554395603 /nfs/dbraw/zinc/39/56/03/554395603.db2.gz DINFILSJRBCOMQ-UHFFFAOYSA-N 0 0 515.522 5.422 40 5 KKBBRN Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccc(C)cc32)cc1 ZINC000059428188 554395607 /nfs/dbraw/zinc/39/56/07/554395607.db2.gz BXVUBHSJAIYOKE-GDLZYMKVSA-N 0 0 519.066 8.215 40 5 KKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463643 554396600 /nfs/dbraw/zinc/39/66/00/554396600.db2.gz WLDMKVXXHUKLJC-UHFFFAOYSA-N 0 0 508.397 7.017 40 5 KKBBRN O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1cccc2cccnc21 ZINC000059488703 554398393 /nfs/dbraw/zinc/39/83/93/554398393.db2.gz ABZCCGRAGBAQSL-HHHXNRCGSA-N 0 0 505.563 6.093 40 5 KKBBRN O=C1C(=Cc2cccc(Oc3ccccc3)c2)N[C@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100476594 554400924 /nfs/dbraw/zinc/40/09/24/554400924.db2.gz IZZJOGGSFAXDJS-MFCBUNOESA-N 0 0 532.383 7.370 40 5 KKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000059663330 554421362 /nfs/dbraw/zinc/42/13/62/554421362.db2.gz VRUAOSOGNUCXGY-UHFFFAOYSA-N 0 0 573.220 6.883 40 5 KKBBRN CCOC(=O)C(CCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC ZINC000059663783 554421748 /nfs/dbraw/zinc/42/17/48/554421748.db2.gz KKYGVLAJPRVMAB-UHFFFAOYSA-N 0 0 563.647 6.913 40 5 KKBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000059881906 554457493 /nfs/dbraw/zinc/45/74/93/554457493.db2.gz GEODCUGVMJHHBT-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000059883978 554461492 /nfs/dbraw/zinc/46/14/92/554461492.db2.gz UZMOZBOYJOHXMQ-UHFFFAOYSA-N 0 0 533.631 5.721 40 5 KKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000059888308 554471126 /nfs/dbraw/zinc/47/11/26/554471126.db2.gz IJDZYITZMNONJS-UHFFFAOYSA-N 0 0 547.658 6.030 40 5 KKBBRN c1ccc2c(c1)C1c3ccccc3C2c2cc3cc4cc5c(cc4cc3cc21)C1c2ccccc2C5c2ccccc21 ZINC000100815908 554476461 /nfs/dbraw/zinc/47/64/61/554476461.db2.gz BGNVBPJCVHBKAU-UHFFFAOYSA-N 0 0 530.670 9.967 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059953465 554483706 /nfs/dbraw/zinc/48/37/06/554483706.db2.gz UDLAEYUPSYKIEN-UHFFFAOYSA-N 0 0 559.644 5.336 40 5 KKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000060016164 554486636 /nfs/dbraw/zinc/48/66/36/554486636.db2.gz VTJRKHRYNZILCT-UHFFFAOYSA-N 0 0 571.655 5.957 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000100872061 554500274 /nfs/dbraw/zinc/50/02/74/554500274.db2.gz RIYNVJGXIKZELI-JLPLMJKDSA-N 0 0 577.127 7.692 40 5 KKBBRN c1cc2cccc3c4ccc5c6ccc7c8cccc9cccc(c%10ccc(c%11ccc(c(c1)c23)c4c%115)c6c%107)c98 ZINC000064624955 554513324 /nfs/dbraw/zinc/51/33/24/554513324.db2.gz GGVMPKQSTZIOIU-UHFFFAOYSA-N 0 0 500.600 11.532 40 5 in-vitro KKBBRN O=C(Nc1ccc(C2=N/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100948014 554536410 /nfs/dbraw/zinc/53/64/10/554536410.db2.gz WCSDVMZQCXMDCY-CNHKJKLMSA-N 0 0 572.169 5.112 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Br)cccc12 ZINC000100957686 554540679 /nfs/dbraw/zinc/54/06/79/554540679.db2.gz CLEMHQGRHOFKHY-UHFFFAOYSA-N 0 0 513.398 5.761 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000100958431 554541381 /nfs/dbraw/zinc/54/13/81/554541381.db2.gz QEFSHYHSPJJGHV-OIUASMPBSA-N 0 0 620.618 6.067 40 5 KKBBRN Cc1nc(Nc2ccc(Cl)c(C(=O)OC(C)C)c2)nc(Nc2ccc(Cl)c(C(=O)OC(C)C)c2)c1[N+](=O)[O-] ZINC000100962376 554542823 /nfs/dbraw/zinc/54/28/23/554542823.db2.gz ZWLIOGBJRQNHLM-UHFFFAOYSA-N 0 0 562.410 6.618 40 5 KKBBRN O=C(c1ccccc1)c1ccc(SCCOCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100985039 554548473 /nfs/dbraw/zinc/54/84/73/554548473.db2.gz RTTZQDGNJJMLQP-UHFFFAOYSA-N 0 0 588.663 6.866 40 5 KKBBRN CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccc(Br)cc1-2 ZINC000101003566 554553340 /nfs/dbraw/zinc/55/33/40/554553340.db2.gz JKKUHDJMUNPPNP-HXUWFJFHSA-N 0 0 526.372 6.003 40 5 KKBBRN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 ZINC000101012876 554558516 /nfs/dbraw/zinc/55/85/16/554558516.db2.gz JJTCKEXSMAQENM-QFIPXVFZSA-N 0 0 554.426 6.865 40 5 KKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Br)cc(Br)c1I ZINC000101055527 554569519 /nfs/dbraw/zinc/56/95/19/554569519.db2.gz XRYCXTADOMCJGP-UHFFFAOYSA-N 0 0 543.912 5.116 40 5 KKBBRN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc([N+](=O)[O-])c3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000101151096 554657293 /nfs/dbraw/zinc/65/72/93/554657293.db2.gz FKBBZTYITRNLKB-ZGIBFIJWSA-N 0 0 530.577 5.071 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000101216107 554682693 /nfs/dbraw/zinc/68/26/93/554682693.db2.gz PVOBYVIJSKBGTQ-BUHFOSPRSA-N 0 0 565.033 6.011 40 5 KKBBRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 ZINC000101519921 554794002 /nfs/dbraw/zinc/79/40/02/554794002.db2.gz QISWAXDVAJKCHG-HNNXBMFYSA-N 0 0 557.579 6.736 40 5 KKBBRN O=C(COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101525282 554794314 /nfs/dbraw/zinc/79/43/14/554794314.db2.gz HBKNZANMELSLAR-UHFFFAOYSA-N 0 0 553.530 7.171 40 5 KKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c1 ZINC000101574381 554798494 /nfs/dbraw/zinc/79/84/94/554798494.db2.gz SBGILLYDZWZZQK-DTQAZKPQSA-N 0 0 554.946 7.641 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000102191050 554894052 /nfs/dbraw/zinc/89/40/52/554894052.db2.gz SHEJUFCNSNOQPC-OHVVKICRSA-N 0 0 611.698 7.040 40 5 KKBBRN CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370366 554916274 /nfs/dbraw/zinc/91/62/74/554916274.db2.gz NNMUSNAJXQOONC-RFMPLWHVSA-N 0 0 599.643 6.364 40 5 KKBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102555194 554963991 /nfs/dbraw/zinc/96/39/91/554963991.db2.gz LEVZZQYMTBONFN-QKDODKLFSA-N 0 0 569.957 5.519 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102556685 554964856 /nfs/dbraw/zinc/96/48/56/554964856.db2.gz PWBZMRUOQXZBRM-GVAUOCQISA-N 0 0 582.407 5.206 40 5 KKBBRN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000102629016 554988734 /nfs/dbraw/zinc/98/87/34/554988734.db2.gz GFQKZGVZKDSOEB-UHFFFAOYSA-N 0 0 557.924 5.449 40 5 KKBBRN O=C1[C@@H]2[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102744129 555035289 /nfs/dbraw/zinc/03/52/89/555035289.db2.gz GUCSZVFFEVMVRB-DSITVLBTSA-N 0 0 533.899 5.698 40 5 KKBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000102872832 555103430 /nfs/dbraw/zinc/10/34/30/555103430.db2.gz ZOBFGCHQGWUOAD-PFBJBMPXSA-N 0 0 606.012 5.067 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102872840 555103572 /nfs/dbraw/zinc/10/35/72/555103572.db2.gz ZOBFGCHQGWUOAD-QKDODKLFSA-N 0 0 606.012 5.067 40 5 KKBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102877559 555107030 /nfs/dbraw/zinc/10/70/30/555107030.db2.gz SUUFERUYZMLAHJ-ULNSLHSMSA-N 0 0 614.010 5.836 40 5 KKBBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000102889848 555124511 /nfs/dbraw/zinc/12/45/11/555124511.db2.gz MGXMYFRTHHVETP-NGDRWEMDSA-N 0 0 593.592 5.654 40 5 KKBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(Br)ccc1Cl ZINC000102921460 555146938 /nfs/dbraw/zinc/14/69/38/555146938.db2.gz SWSDSTQLXHRNQQ-QFMPWRQOSA-N 0 0 583.870 5.488 40 5 KKBBRN CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102936599 555164268 /nfs/dbraw/zinc/16/42/68/555164268.db2.gz OQNSSUDHRTWNRK-OACXUXEDSA-N 0 0 532.582 5.429 40 5 KKBBRN O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102969620 555181100 /nfs/dbraw/zinc/18/11/00/555181100.db2.gz HCBIWLTWSUYYOV-XWUOYIKFSA-N 0 0 542.979 6.993 40 5 KKBBRN CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332738 555359681 /nfs/dbraw/zinc/35/96/81/555359681.db2.gz XNSAOEIVFPMTFN-HXBWQCRLSA-N 0 0 583.644 6.403 40 5 KKBBRN COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103520520 555425829 /nfs/dbraw/zinc/42/58/29/555425829.db2.gz UJXJYYUZGWGZMW-GGVMLGSCSA-N 0 0 571.589 5.585 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103527694 555429098 /nfs/dbraw/zinc/42/90/98/555429098.db2.gz QOTPHVVLIPXXEX-PBNWVGGGSA-N 0 0 610.453 6.883 40 5 KKBBRN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103529144 555429670 /nfs/dbraw/zinc/42/96/70/555429670.db2.gz HJDDQLIAYWPZHU-YCHSVXFSSA-N 0 0 571.589 5.585 40 5 KKBBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103534147 555434458 /nfs/dbraw/zinc/43/44/58/555434458.db2.gz UYWKKVIQGBEANC-PBNWVGGGSA-N 0 0 559.553 5.716 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000103547739 555441702 /nfs/dbraw/zinc/44/17/02/555441702.db2.gz YEKSFGXTSXPVKO-IANDGLOUSA-N 0 0 555.590 5.841 40 5 KKBBRN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103549891 555443174 /nfs/dbraw/zinc/44/31/74/555443174.db2.gz ZJYJLYAGGWEYIV-IEMSDXTESA-N 0 0 569.617 6.149 40 5 KKBBRN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103552842 555444927 /nfs/dbraw/zinc/44/49/27/555444927.db2.gz UTSKPBSVUGXZSY-CDACFMRSSA-N 0 0 590.035 6.494 40 5 KKBBRN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000103554621 555445538 /nfs/dbraw/zinc/44/55/38/555445538.db2.gz ZMPULFICGYXEER-UHLQNUQBSA-N 0 0 556.578 5.236 40 5 KKBBRN C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000103698163 555463884 /nfs/dbraw/zinc/46/38/84/555463884.db2.gz MAFNTTGKPRINDX-GJZGRUSLSA-N 0 0 575.257 6.102 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000103753070 555468383 /nfs/dbraw/zinc/46/83/83/555468383.db2.gz MOUGHVRJXZBATJ-ZHGFHMGHSA-N 0 0 607.644 5.112 40 5 KKBBRN CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc31)=NN2c1ccccc1 ZINC000103757310 555470360 /nfs/dbraw/zinc/47/03/60/555470360.db2.gz DMDYVFWRJNVAOZ-JGCGQSQUSA-N 0 0 541.636 7.718 40 5 KKBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000103765712 555473122 /nfs/dbraw/zinc/47/31/22/555473122.db2.gz IEPCGRUSYKEPFJ-UHFFFAOYSA-N 0 0 540.582 5.889 40 5 KKBBRN CC(C)C1=CC=C(C2=NN(c3ccccc3)[C@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 ZINC000103768782 555474279 /nfs/dbraw/zinc/47/42/79/555474279.db2.gz VHGMPCQPLYGMQR-PSXMRANNSA-N 0 0 597.744 8.847 40 5 KKBBRN CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 ZINC000103768962 555474409 /nfs/dbraw/zinc/47/44/09/555474409.db2.gz VESXPDCZNPVLQT-HKBQPEDESA-N 0 0 551.693 7.517 40 5 KKBBRN COc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103769910 555474688 /nfs/dbraw/zinc/47/46/88/555474688.db2.gz ZQIHWOLHXJAWCJ-UHFFFAOYSA-N 0 0 530.377 6.451 40 5 KKBBRN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3[nH]2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103772881 555475586 /nfs/dbraw/zinc/47/55/86/555475586.db2.gz GRHPFQKJPJMYLL-UHFFFAOYSA-N 0 0 612.471 5.367 40 5 KKBBRN O=[N+]([O-])c1ccc2nc(Sc3nnc(COc4ccc(C5CCCCC5)cc4)n3-c3ccccc3)sc2c1 ZINC000103774160 555475836 /nfs/dbraw/zinc/47/58/36/555475836.db2.gz FFAIXMYVMNLQGZ-UHFFFAOYSA-N 0 0 543.674 7.563 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc(Cl)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000103790932 555480494 /nfs/dbraw/zinc/48/04/94/555480494.db2.gz HZVZUAIJWPHBFX-NULZLWRNSA-N 0 0 566.038 6.140 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103791488 555481129 /nfs/dbraw/zinc/48/11/29/555481129.db2.gz OAIDWHNFVSSKPE-NULZLWRNSA-N 0 0 566.038 6.140 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 ZINC000103818590 555482739 /nfs/dbraw/zinc/48/27/39/555482739.db2.gz GRPGGLCSZHFPRM-ITNPZBTBSA-N 0 0 596.064 6.149 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222466867 571362378 /nfs/dbraw/zinc/36/23/78/571362378.db2.gz QNMXNHNSURLLBT-AJTFRIOCSA-N 0 0 675.204 5.491 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222483224 571363726 /nfs/dbraw/zinc/36/37/26/571363726.db2.gz KPOSGIDQFWHNRC-SANMLTNESA-N 0 0 645.178 5.401 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000103863631 571367844 /nfs/dbraw/zinc/36/78/44/571367844.db2.gz LTPNIXIAEGXZBE-WAHKBFHJSA-N 0 0 596.708 6.251 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1 ZINC000103881229 571368463 /nfs/dbraw/zinc/36/84/63/571368463.db2.gz SLFRYPBYRGGSHP-UHFFFAOYSA-N 0 0 579.689 5.271 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)c4ccc(C)cc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000104011475 571371215 /nfs/dbraw/zinc/37/12/15/571371215.db2.gz RAQGYIBCWZVLQI-UHFFFAOYSA-N 0 0 575.021 6.040 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222568301 571371981 /nfs/dbraw/zinc/37/19/81/571371981.db2.gz VARRQUCZAKKMOP-SSEXGKCCSA-N 0 0 683.158 5.286 40 5 KKBBRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000104085505 571373043 /nfs/dbraw/zinc/37/30/43/571373043.db2.gz 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KKBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000105312315 571397201 /nfs/dbraw/zinc/39/72/01/571397201.db2.gz KHIGQYUWNLLGLZ-UHFFFAOYSA-N 0 0 552.012 5.328 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105313276 571397770 /nfs/dbraw/zinc/39/77/70/571397770.db2.gz UPSRDHAKFWYHLH-UHFFFAOYSA-N 0 0 586.073 7.327 40 5 KKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000105313623 571397990 /nfs/dbraw/zinc/39/79/90/571397990.db2.gz MLMOREOICWTIHZ-UHFFFAOYSA-N 0 0 526.578 5.586 40 5 KKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000105313588 571398015 /nfs/dbraw/zinc/39/80/15/571398015.db2.gz GZRLQVSOOBDGFO-UHFFFAOYSA-N 0 0 526.578 5.586 40 5 KKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105313775 571398153 /nfs/dbraw/zinc/39/81/53/571398153.db2.gz NBMZMCKLFAKTAB-UHFFFAOYSA-N 0 0 557.680 5.878 40 5 KKBBRN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105314383 571398455 /nfs/dbraw/zinc/39/84/55/571398455.db2.gz QSLDWGVXLYNBJS-UHFFFAOYSA-N 0 0 518.942 5.369 40 5 KKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105315185 571398919 /nfs/dbraw/zinc/39/89/19/571398919.db2.gz KYOJCROJXJFPAK-UHFFFAOYSA-N 0 0 526.530 5.980 40 5 KKBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000105315181 571398949 /nfs/dbraw/zinc/39/89/49/571398949.db2.gz GRPQHDXFAAHFQB-UHFFFAOYSA-N 0 0 529.578 5.320 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222798698 571399090 /nfs/dbraw/zinc/39/90/90/571399090.db2.gz WVVRCQFBLGHBTJ-LJAQVGFWSA-N 0 0 655.560 5.483 40 5 KKBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222798633 571399102 /nfs/dbraw/zinc/39/91/02/571399102.db2.gz WVVRCQFBLGHBTJ-GDLZYMKVSA-N 0 0 655.560 5.483 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222799478 571399292 /nfs/dbraw/zinc/39/92/92/571399292.db2.gz RVQLGYRRQCIUKG-JGCGQSQUSA-N 0 0 707.647 5.965 40 5 KKBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000105317441 571400186 /nfs/dbraw/zinc/40/01/86/571400186.db2.gz MKXKBKXFYSUIJW-UHFFFAOYSA-N 0 0 569.643 5.252 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105318216 571400740 /nfs/dbraw/zinc/40/07/40/571400740.db2.gz QSENCIVSKXFWJQ-UHFFFAOYSA-N 0 0 593.153 5.688 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000105318718 571401071 /nfs/dbraw/zinc/40/10/71/571401071.db2.gz JSZRLEIBGOFURF-UHFFFAOYSA-N 0 0 585.942 5.397 40 5 KKBBRN CCOc1ccc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000105319416 571401509 /nfs/dbraw/zinc/40/15/09/571401509.db2.gz BWCGUWIZVDJZBS-UHFFFAOYSA-N 0 0 577.254 7.048 40 5 KKBBRN Cc1c(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000105319499 571401511 /nfs/dbraw/zinc/40/15/11/571401511.db2.gz REPRRIQTCKTLCE-UHFFFAOYSA-N 0 0 547.228 6.957 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222834572 571403684 /nfs/dbraw/zinc/40/36/84/571403684.db2.gz VGYZKRWIUHBIPN-AREMUKBSSA-N 0 0 552.469 5.312 40 5 KKBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 ZINC000105354405 571404157 /nfs/dbraw/zinc/40/41/57/571404157.db2.gz CACAFCPZIOHAJN-BMRADRMJSA-N 0 0 552.587 5.478 40 5 KKBBRN CC1=CC(C)(C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000105513350 571406942 /nfs/dbraw/zinc/40/69/42/571406942.db2.gz DDCSDGFUWZQICU-UHFFFAOYSA-N 0 0 578.712 8.749 40 5 KKBBRN O=C(Nc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000105540722 571407364 /nfs/dbraw/zinc/40/73/64/571407364.db2.gz PGFPDJZVNICRBZ-UHFFFAOYSA-N 0 0 539.529 6.284 40 5 KKBBRN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000105576430 571407621 /nfs/dbraw/zinc/40/76/21/571407621.db2.gz YHSHVZBUBPQOBW-UHFFFAOYSA-N 0 0 519.495 6.071 40 5 KKBBRN O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 ZINC000105600592 571407827 /nfs/dbraw/zinc/40/78/27/571407827.db2.gz FPHYAICONJDWSC-FUWOTOHESA-N 0 0 541.579 5.669 40 5 KKBBRN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 ZINC000105598899 571407839 /nfs/dbraw/zinc/40/78/39/571407839.db2.gz ONWYJRIGTWYJEU-AJRQNQRPSA-N 0 0 574.489 6.698 40 5 KKBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222906686 571411678 /nfs/dbraw/zinc/41/16/78/571411678.db2.gz XQFVAALNHKMQSA-HNNXBMFYSA-N 0 0 512.459 5.467 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222878355 571408883 /nfs/dbraw/zinc/40/88/83/571408883.db2.gz ICLJBESJESXKNW-JGCGQSQUSA-N 0 0 697.641 6.509 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222904735 571411581 /nfs/dbraw/zinc/41/15/81/571411581.db2.gz UGTPMFKXKKPFKH-SANMLTNESA-N 0 0 588.488 5.701 40 5 KKBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222914717 571412526 /nfs/dbraw/zinc/41/25/26/571412526.db2.gz WADXJRZNIRRKMJ-AREMUKBSSA-N 0 0 542.463 5.856 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000106427314 571412631 /nfs/dbraw/zinc/41/26/31/571412631.db2.gz XFLMOXRGWZLUMA-YXDQGSNCSA-N 0 0 598.464 5.582 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106696012 571414118 /nfs/dbraw/zinc/41/41/18/571414118.db2.gz FBQOHLBVSAXBQJ-XKZIYDEJSA-N 0 0 508.483 5.198 40 5 KKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106703402 571414829 /nfs/dbraw/zinc/41/48/29/571414829.db2.gz IMGVCODCYKRNFR-QRVIBDJDSA-N 0 0 539.407 6.481 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106708142 571415009 /nfs/dbraw/zinc/41/50/09/571415009.db2.gz AFHFSADPTKCDMA-CFRMEGHHSA-N 0 0 533.562 5.166 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106719311 571415746 /nfs/dbraw/zinc/41/57/46/571415746.db2.gz FHRSJYPRDNZDEE-IWIPYMOSSA-N 0 0 513.531 6.180 40 5 KKBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222947073 571415995 /nfs/dbraw/zinc/41/59/95/571415995.db2.gz INWGWKQIYDTHBD-OAHLLOKOSA-N 0 0 512.459 5.467 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106725124 571416266 /nfs/dbraw/zinc/41/62/66/571416266.db2.gz ZJVGAMNGGUGNKN-XKZIYDEJSA-N 0 0 525.380 6.173 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br ZINC000106726167 571416297 /nfs/dbraw/zinc/41/62/97/571416297.db2.gz UFDWUPIIUHHXPW-UUYOSTAYSA-N 0 0 604.276 6.935 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1 ZINC000106727894 571416428 /nfs/dbraw/zinc/41/64/28/571416428.db2.gz ADVJCGJQKLOMQW-XKZIYDEJSA-N 0 0 510.955 6.072 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106734808 571416723 /nfs/dbraw/zinc/41/67/23/571416723.db2.gz OTQOTZMJKQLYKA-FBHDLOMBSA-N 0 0 529.933 6.210 40 5 KKBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106737413 571416835 /nfs/dbraw/zinc/41/68/35/571416835.db2.gz JNOQXKNNWPHJLE-NYAPKIOYSA-N 0 0 589.003 5.290 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000106738907 571416998 /nfs/dbraw/zinc/41/69/98/571416998.db2.gz ZBQFIBWIHCVIIN-QRVIBDJDSA-N 0 0 587.423 6.711 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739419 571417037 /nfs/dbraw/zinc/41/70/37/571417037.db2.gz FWXDFLXMPMANSM-MTJSOVHGSA-N 0 0 604.276 6.935 40 5 KKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 ZINC000106738554 571417091 /nfs/dbraw/zinc/41/70/91/571417091.db2.gz QAFWJWMXYGXQKZ-XKZIYDEJSA-N 0 0 572.380 6.015 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000106739164 571417092 /nfs/dbraw/zinc/41/70/92/571417092.db2.gz VZAKPPWBIQCVEG-MTJSOVHGSA-N 0 0 556.394 5.576 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccncc1 ZINC000106740997 571417283 /nfs/dbraw/zinc/41/72/83/571417283.db2.gz IITQBWMWQICAGO-MTJSOVHGSA-N 0 0 556.394 5.576 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106741707 571417304 /nfs/dbraw/zinc/41/73/04/571417304.db2.gz UDLPPUQBCAQLEO-JAIQZWGSSA-N 0 0 515.906 5.820 40 5 KKBBRN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000106745556 571417438 /nfs/dbraw/zinc/41/74/38/571417438.db2.gz RDDWJKMSIYTACP-ITYLOYPMSA-N 0 0 532.618 6.587 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000106745727 571417481 /nfs/dbraw/zinc/41/74/81/571417481.db2.gz FFABRXIDQPCBMY-QRVIBDJDSA-N 0 0 521.507 5.327 40 5 KKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106745789 571417505 /nfs/dbraw/zinc/41/75/05/571417505.db2.gz PBAPPMHNGCTNQE-QRVIBDJDSA-N 0 0 521.507 5.327 40 5 KKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(I)cc1 ZINC000106753088 571417639 /nfs/dbraw/zinc/41/76/39/571417639.db2.gz UWCSHEKOQDWBEZ-UUASQNMZSA-N 0 0 535.146 5.743 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222984378 571419413 /nfs/dbraw/zinc/41/94/13/571419413.db2.gz KAMIFCBJKADMQP-AREMUKBSSA-N 0 0 588.488 5.701 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222997440 571420279 /nfs/dbraw/zinc/42/02/79/571420279.db2.gz TXWJUXLZXYRSDG-XIFFEERXSA-N 0 0 658.777 5.211 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000107661218 571420679 /nfs/dbraw/zinc/42/06/79/571420679.db2.gz YGJZZFMOGMWOHX-YXDQGSNCSA-N 0 0 598.464 5.582 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223007747 571421182 /nfs/dbraw/zinc/42/11/82/571421182.db2.gz AELZGUMDFYHKCH-UMSFTDKQSA-N 0 0 737.275 6.181 40 5 KKBBRN COc1c(Br)cc(Br)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000107890470 571421556 /nfs/dbraw/zinc/42/15/56/571421556.db2.gz KGYCYZFZOVOZBZ-UHFFFAOYSA-N 0 0 582.293 5.081 40 5 KKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000108572159 571426278 /nfs/dbraw/zinc/42/62/78/571426278.db2.gz HKFLWQPBNZPQHR-UHFFFAOYSA-N 0 0 549.568 5.849 40 5 KKBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000109031924 571428201 /nfs/dbraw/zinc/42/82/01/571428201.db2.gz QRLAEHZDNMQHGV-UHFFFAOYSA-N 0 0 588.517 5.989 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000109213943 571428755 /nfs/dbraw/zinc/42/87/55/571428755.db2.gz VHNABCBTIOKNKR-ISZRBDKASA-N 0 0 592.717 5.901 40 5 KKBBRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1Br ZINC000109544783 571429392 /nfs/dbraw/zinc/42/93/92/571429392.db2.gz NUYMZAZVGGBSAP-UHFFFAOYSA-N 0 0 513.167 5.504 40 5 KKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000109584465 571429561 /nfs/dbraw/zinc/42/95/61/571429561.db2.gz KBWWUFNJIXBQHI-UUILKARUSA-N 0 0 522.970 5.982 40 5 KKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000109823087 571430089 /nfs/dbraw/zinc/43/00/89/571430089.db2.gz OKMRVGOYYUAETP-ZZXKWVIFSA-N 0 0 540.325 6.542 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000111465495 571432413 /nfs/dbraw/zinc/43/24/13/571432413.db2.gz IVGZJZPDVXIOPQ-GRPHBVMCSA-N 0 0 617.683 5.423 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000111465649 571432595 /nfs/dbraw/zinc/43/25/95/571432595.db2.gz ACZCHNATUGCGGZ-CLNXTWJPSA-N 0 0 607.644 5.112 40 5 KKBBRN COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 ZINC000111467969 571432628 /nfs/dbraw/zinc/43/26/28/571432628.db2.gz ITNREWGYTBQIQO-BIWBSIMWSA-N 0 0 598.662 5.112 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)c1 ZINC000111468524 571432766 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CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223382972 571468847 /nfs/dbraw/zinc/46/88/47/571468847.db2.gz FUJVRSKRZXNRAZ-VCTRWQRLSA-N 0 0 642.778 5.653 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000150385984 571469175 /nfs/dbraw/zinc/46/91/75/571469175.db2.gz ROVBRPVMEXBEMK-SRZZPIQSSA-N 0 0 622.266 7.074 40 5 KKBBRN CO[C@@H]1C[C@H](C)Cc2c(=O)c(cc3nc4ccc(Br)cc4oc2-3)NC(=O)/C(C)=C/C=C\[C@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H]1O ZINC000150388489 571470940 /nfs/dbraw/zinc/47/09/40/571470940.db2.gz GRRRVBFXHGBGOJ-XJSZHVSTSA-N 0 0 698.611 5.516 40 5 KKBBRN CO[C@@H]1C[C@H](C)Cc2c(=O)c(cc3nc4ccc(Br)cc4oc2-3)NC(=O)/C(C)=C\C=C[C@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H]1O ZINC000150388490 571470979 /nfs/dbraw/zinc/47/09/79/571470979.db2.gz GRRRVBFXHGBGOJ-HKHSKLAUSA-N 0 0 698.611 5.516 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150390370 571472685 /nfs/dbraw/zinc/47/26/85/571472685.db2.gz JKDUVCMZFAACKV-CWJUKMOQSA-N 0 0 630.078 5.782 40 5 KKBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 ZINC000150393817 571475216 /nfs/dbraw/zinc/47/52/16/571475216.db2.gz IOXTVMNWZOKZBI-XIHDXPBISA-N 0 0 661.523 6.358 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150394842 571475698 /nfs/dbraw/zinc/47/56/98/571475698.db2.gz PLFWMYFHDMGGRE-OINPTKSXSA-N 0 0 625.634 5.252 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150395127 571475825 /nfs/dbraw/zinc/47/58/25/571475825.db2.gz XPWGARZDVFZCIB-OINPTKSXSA-N 0 0 686.540 5.875 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150395558 571475994 /nfs/dbraw/zinc/47/59/94/571475994.db2.gz ALARXRHZPJRROL-POKSHJSXSA-N 0 0 637.739 6.134 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150395549 571476088 /nfs/dbraw/zinc/47/60/88/571476088.db2.gz XNJSCFGQXQIWKN-KUSDHMTMSA-N 0 0 653.738 5.834 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000150396339 571476480 /nfs/dbraw/zinc/47/64/80/571476480.db2.gz MDUIKLHJSWEASU-USDTVRPUSA-N 0 0 664.578 6.633 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000150396553 571476643 /nfs/dbraw/zinc/47/66/43/571476643.db2.gz XUBSRKRBUCMRGI-POKSHJSXSA-N 0 0 637.739 6.134 40 5 KKBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223448150 571478159 /nfs/dbraw/zinc/47/81/59/571478159.db2.gz RYXQBRMKJBLYKG-QFIPXVFZSA-N 0 0 661.177 5.103 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224134712 571483523 /nfs/dbraw/zinc/48/35/23/571483523.db2.gz SCGNACLWSDNYGC-MGBGTMOVSA-N 0 0 707.249 6.235 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(Oc2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000150412995 571484516 /nfs/dbraw/zinc/48/45/16/571484516.db2.gz OZGKKSRNQQCQEA-UHFFFAOYSA-N 0 0 740.553 7.019 40 5 KKBBRN O=C1c2cccc3c([N+](=O)[O-])ccc(c32)C(=O)N1c1ccc(Oc2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c54)C3=O)cc2)cc1 ZINC000150412974 571484605 /nfs/dbraw/zinc/48/46/05/571484605.db2.gz HTWIOGOPLRXCOL-UHFFFAOYSA-N 0 0 650.559 7.203 40 5 KKBBRN C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 ZINC000224142992 571485449 /nfs/dbraw/zinc/48/54/49/571485449.db2.gz SOYMDDDNYJLTRR-BLQAFSTQSA-N 0 0 588.133 7.563 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000150416337 571485794 /nfs/dbraw/zinc/48/57/94/571485794.db2.gz RMQDAOXXPDCYPP-FQKMCRJQSA-N 0 0 639.608 5.526 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223489381 571485901 /nfs/dbraw/zinc/48/59/01/571485901.db2.gz MAPRXLYYQYRWIV-IBGZPJMESA-N 0 0 526.417 5.011 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223505477 571488781 /nfs/dbraw/zinc/48/87/81/571488781.db2.gz NBMKTQZBBQHNFL-AREMUKBSSA-N 0 0 635.570 5.819 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224164327 571489133 /nfs/dbraw/zinc/48/91/33/571489133.db2.gz GROLMCKUDYXYRN-WJOKGBTCSA-N 0 0 628.751 5.345 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223516098 571491786 /nfs/dbraw/zinc/49/17/86/571491786.db2.gz RBVXHSVPLUOLGQ-MHZLTWQESA-N 0 0 679.623 6.136 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150430067 571493130 /nfs/dbraw/zinc/49/31/30/571493130.db2.gz RVQKMMACMOUOJV-SLDXWZKBSA-N 0 0 692.662 5.273 40 5 KKBBRN O=c1/c(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000150431125 571493476 /nfs/dbraw/zinc/49/34/76/571493476.db2.gz PMXUFLSGIZBVNE-MIUGUJGPSA-N 0 0 735.479 7.392 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223525225 571494063 /nfs/dbraw/zinc/49/40/63/571494063.db2.gz RIWIJTLBESTVTB-HKBQPEDESA-N 0 0 758.091 6.299 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223530842 571495638 /nfs/dbraw/zinc/49/56/38/571495638.db2.gz RHVFECYNXRQJDH-RXFWQSSRSA-N 0 0 554.043 5.190 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000150435990 571496093 /nfs/dbraw/zinc/49/60/93/571496093.db2.gz DLNMBHUMTGXSPD-NHDPSOOVSA-N 0 0 638.721 7.589 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223546467 571499044 /nfs/dbraw/zinc/49/90/44/571499044.db2.gz HHBSGKILHPPXCI-RXFWQSSRSA-N 0 0 508.018 5.346 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224225412 571501036 /nfs/dbraw/zinc/50/10/36/571501036.db2.gz ZPJQIXOTLZUOCA-NRFANRHFSA-N 0 0 665.596 5.603 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223567198 571503700 /nfs/dbraw/zinc/50/37/00/571503700.db2.gz YMUDJZBBYHYTKI-JGCGQSQUSA-N 0 0 723.646 5.646 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150456356 571504468 /nfs/dbraw/zinc/50/44/68/571504468.db2.gz RSLRBGFJYGEEQA-KSEXSDGBSA-N 0 0 638.323 7.878 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224248456 571505785 /nfs/dbraw/zinc/50/57/85/571505785.db2.gz BLQXJVOXINHIDZ-RUZDIDTESA-N 0 0 631.151 5.012 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224248510 571505844 /nfs/dbraw/zinc/50/58/44/571505844.db2.gz BLQXJVOXINHIDZ-VWLOTQADSA-N 0 0 631.151 5.012 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000150463911 571507507 /nfs/dbraw/zinc/50/75/07/571507507.db2.gz ARVLMJFWOQLHEJ-NHDPSOOVSA-N 0 0 649.273 6.844 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224263057 571509081 /nfs/dbraw/zinc/50/90/81/571509081.db2.gz LWKPWBZZWINBAU-XIFFEERXSA-N 0 0 693.222 5.927 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223595198 571509779 /nfs/dbraw/zinc/50/97/79/571509779.db2.gz YIDIRVZKHUZOGB-VWLOTQADSA-N 0 0 560.503 5.911 40 5 KKBBRN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000150479644 571511822 /nfs/dbraw/zinc/51/18/22/571511822.db2.gz OHAFTIWTFWEBAK-OMCJGKRZSA-N 0 0 650.113 6.133 40 5 KKBBRN CC1(C)[C@@]23C(Cl)=C(Cl)[C@]1(Cl)C(Cl)(Cl)[C@]2(Cl)c1cc([N+](=O)[O-])ccc1[C@@]1(Cl)C(Cl)(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]31C2(C)C ZINC000150480164 571511940 /nfs/dbraw/zinc/51/19/40/571511940.db2.gz HEOLJZCXUWKCNQ-GFJXEVPCSA-N 0 0 774.825 11.238 40 5 KKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224290718 571514459 /nfs/dbraw/zinc/51/44/59/571514459.db2.gz OVQXHMOEJWUJPM-XMMPIXPASA-N 0 0 651.569 5.357 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224295577 571515838 /nfs/dbraw/zinc/51/58/38/571515838.db2.gz PUEXBLWMZUQBDZ-WJOKGBTCSA-N 0 0 632.714 5.096 40 5 KKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] ZINC000150486016 571516120 /nfs/dbraw/zinc/51/61/20/571516120.db2.gz OOWKBCVFFTZKTB-UHFFFAOYSA-N 0 0 653.252 5.906 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224302171 571517443 /nfs/dbraw/zinc/51/74/43/571517443.db2.gz SLZBVFMQKMSRLT-LJAQVGFWSA-N 0 0 657.189 5.627 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224310478 571519279 /nfs/dbraw/zinc/51/92/79/571519279.db2.gz HKZSXMCNYKQZRC-JGCGQSQUSA-N 0 0 711.212 6.066 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150552900 571520995 /nfs/dbraw/zinc/52/09/95/571520995.db2.gz CKAOQDKLSCTTBS-IVQFASICSA-N 0 0 641.149 5.980 40 5 KKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223653169 571521104 /nfs/dbraw/zinc/52/11/04/571521104.db2.gz ACNJEEAABLZPAL-AREMUKBSSA-N 0 0 675.204 5.491 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)sc2c1 ZINC000150575757 571521517 /nfs/dbraw/zinc/52/15/17/571521517.db2.gz PRBNTMWMUWVONG-UHFFFAOYSA-N 0 0 636.589 7.583 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223658335 571521987 /nfs/dbraw/zinc/52/19/87/571521987.db2.gz VDYNNZKVIIFVIS-YTTGMZPUSA-N 0 0 713.640 6.190 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150611734 571523029 /nfs/dbraw/zinc/52/30/29/571523029.db2.gz ABJOTKAYFPPSCN-SOJUGJLBSA-N 0 0 675.594 6.633 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224330516 571523192 /nfs/dbraw/zinc/52/31/92/571523192.db2.gz YSXAZUSTHHRPQY-NRFANRHFSA-N 0 0 665.596 5.603 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224333258 571523792 /nfs/dbraw/zinc/52/37/92/571523792.db2.gz JYXZDYYMTITHCH-FQEVSTJZSA-N 0 0 700.041 6.257 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000150640417 571524544 /nfs/dbraw/zinc/52/45/44/571524544.db2.gz GZVATDIWKDMFSO-FWESEHMYSA-N 0 0 626.090 6.066 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224358966 571529409 /nfs/dbraw/zinc/52/94/09/571529409.db2.gz TUJPXKQKLDKQRN-RUZDIDTESA-N 0 0 508.018 5.346 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000161917998 571531431 /nfs/dbraw/zinc/53/14/31/571531431.db2.gz OFCCNDCOVYTDFW-UHFFFAOYSA-N 0 0 663.881 5.624 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224370252 571531785 /nfs/dbraw/zinc/53/17/85/571531785.db2.gz MQFMYVALXRMMHM-XIFFEERXSA-N 0 0 707.249 6.315 40 5 KKBBRN O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000161945500 571531832 /nfs/dbraw/zinc/53/18/32/571531832.db2.gz UOPISBVVCLBPJS-UHFFFAOYSA-N 0 0 661.401 7.124 40 5 KKBBRN O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161983975 571531973 /nfs/dbraw/zinc/53/19/73/571531973.db2.gz JCMGOBKTARRPBC-UHFFFAOYSA-N 0 0 634.631 5.734 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n31)c1ccccc1CC2 ZINC000163191892 571532663 /nfs/dbraw/zinc/53/26/63/571532663.db2.gz DWJWYTXQTAHAJW-DBHVVYFFSA-N 0 0 741.576 6.707 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n31)c1ccccc1CC2 ZINC000163205908 571532902 /nfs/dbraw/zinc/53/29/02/571532902.db2.gz BSUBYYMAAUHHMF-KFOJKGMOSA-N 0 0 853.476 7.024 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000163205187 571532950 /nfs/dbraw/zinc/53/29/50/571532950.db2.gz GPDIBEUVTOKOME-DBHVVYFFSA-N 0 0 759.476 7.340 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163212915 571533057 /nfs/dbraw/zinc/53/30/57/571533057.db2.gz XVRNPQLUUQRKJA-YVBHXKDBSA-N 0 0 689.385 7.012 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000163213278 571533096 /nfs/dbraw/zinc/53/30/96/571533096.db2.gz XBHFEUVZNMCXKU-ITNPZBTBSA-N 0 0 640.515 6.258 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000163226056 571533507 /nfs/dbraw/zinc/53/35/07/571533507.db2.gz STPLZDQOHWIYHP-KEQCBNTKSA-N 0 0 638.496 5.046 40 5 KKBBRN O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163243850 571534002 /nfs/dbraw/zinc/53/40/02/571534002.db2.gz NWNJCZVVBMNCON-NBQDTTAVSA-N 0 0 664.537 6.209 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163246717 571534028 /nfs/dbraw/zinc/53/40/28/571534028.db2.gz LDQWLRZIKOETTC-SJXDCSIJSA-N 0 0 640.515 6.258 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163253285 571534208 /nfs/dbraw/zinc/53/42/08/571534208.db2.gz LAJYIJVQBQREHA-FVUNBJOLSA-N 0 0 632.654 5.936 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163275247 571534512 /nfs/dbraw/zinc/53/45/12/571534512.db2.gz TYEXBQOAORUBOM-HWANIQDNSA-N 0 0 631.710 5.823 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223735095 571535169 /nfs/dbraw/zinc/53/51/69/571535169.db2.gz LFKZJMXJDVJYMI-INJOXJOKSA-N 0 0 725.239 6.454 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000163465942 571535860 /nfs/dbraw/zinc/53/58/60/571535860.db2.gz MWIDBXHXHLKOFF-OIUASMPBSA-N 0 0 783.539 7.714 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000163466261 571535943 /nfs/dbraw/zinc/53/59/43/571535943.db2.gz FYSMDZHCEGYKBE-HZHHUVPKSA-N 0 0 704.643 6.952 40 5 KKBBRN O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163500474 571536261 /nfs/dbraw/zinc/53/62/61/571536261.db2.gz RDTXGYDWBYINCQ-SELCLYCASA-N 0 0 857.895 7.669 40 5 KKBBRN O=c1/c(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163502693 571536297 /nfs/dbraw/zinc/53/62/97/571536297.db2.gz UNZMHXLGWMFRFW-OGMUYLFESA-N 0 0 639.686 5.134 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224392179 571536548 /nfs/dbraw/zinc/53/65/48/571536548.db2.gz GZAPIICLLDROFF-SANMLTNESA-N 0 0 537.657 5.522 40 5 KKBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000163570417 571536803 /nfs/dbraw/zinc/53/68/03/571536803.db2.gz BENQXWFDNQVJSD-UHFFFAOYSA-N 0 0 635.696 7.295 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224396826 571537302 /nfs/dbraw/zinc/53/73/02/571537302.db2.gz PNQSZEPYJYNXOG-HKBQPEDESA-N 0 0 646.741 5.484 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163624290 571538127 /nfs/dbraw/zinc/53/81/27/571538127.db2.gz LKIMHMWOHZQWDA-MFUBYVTQSA-N 0 0 757.368 6.897 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163625094 571538156 /nfs/dbraw/zinc/53/81/56/571538156.db2.gz STEGEYYNQPWXQZ-RWTNITNYSA-N 0 0 740.913 6.383 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000163630699 571538214 /nfs/dbraw/zinc/53/82/14/571538214.db2.gz GMDKXKGKDAXEKB-SZYVSPPHSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163657549 571539484 /nfs/dbraw/zinc/53/94/84/571539484.db2.gz HQABVWFMCAXUNP-PLQXQRLBSA-N 0 0 752.949 6.252 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224415109 571541359 /nfs/dbraw/zinc/54/13/59/571541359.db2.gz REGMPSNPWRTHJP-AREMUKBSSA-N 0 0 584.536 5.757 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224416960 571541787 /nfs/dbraw/zinc/54/17/87/571541787.db2.gz RKAIONUBDRPKSI-MUUNZHRXSA-N 0 0 647.581 5.963 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223774842 571542057 /nfs/dbraw/zinc/54/20/57/571542057.db2.gz QGGWYEOZUJEWSM-QHCPKHFHSA-N 0 0 657.189 5.545 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163740738 571542396 /nfs/dbraw/zinc/54/23/96/571542396.db2.gz DEOWMDYJTYFCTI-QARYAGPDSA-N 0 0 717.103 5.094 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000163766642 571543002 /nfs/dbraw/zinc/54/30/02/571543002.db2.gz SIIVSACOETZUKM-ANHNRMLZSA-N 0 0 710.768 6.560 40 5 KKBBRN CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000163769602 571543069 /nfs/dbraw/zinc/54/30/69/571543069.db2.gz MPSOESKMBRVRBE-KEQCBNTKSA-N 0 0 761.379 5.835 40 5 KKBBRN O=c1/c(=C/c2ccc(Sc3nc4ccccc4s3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163771148 571543074 /nfs/dbraw/zinc/54/30/74/571543074.db2.gz IBVXGHPAVDPICY-FQWZWQHVSA-N 0 0 620.737 6.581 40 5 KKBBRN O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163775312 571543296 /nfs/dbraw/zinc/54/32/96/571543296.db2.gz UXOIIXUHLIHCFO-HWMKKPCCSA-N 0 0 645.480 6.702 40 5 KKBBRN O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000163777034 571543298 /nfs/dbraw/zinc/54/32/98/571543298.db2.gz RZTPSJZGZADZHN-MIUGUJGPSA-N 0 0 829.479 7.077 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163778302 571543308 /nfs/dbraw/zinc/54/33/08/571543308.db2.gz OCFDRYISPAMXGC-GEYGMGCISA-N 0 0 665.749 5.312 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000163916145 571543443 /nfs/dbraw/zinc/54/34/43/571543443.db2.gz ZXENXYJPYPDBLG-ZJTZAHLKSA-N 0 0 665.080 5.459 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@H]2C)cc1 ZINC000163942105 571543588 /nfs/dbraw/zinc/54/35/88/571543588.db2.gz FHOCGSYTEDADCO-DJUQAAIZSA-N 0 0 638.189 9.469 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000163924024 571543646 /nfs/dbraw/zinc/54/36/46/571543646.db2.gz GDKKEPXQLBBTLS-YVBHXKDBSA-N 0 0 644.662 5.114 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000164010482 571544129 /nfs/dbraw/zinc/54/41/29/571544129.db2.gz QZZAGAPRMGWSEJ-AUPFZTMHSA-N 0 0 946.352 6.274 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000164007816 571544131 /nfs/dbraw/zinc/54/41/31/571544131.db2.gz MITUGMPVKNPRRY-DKOMQPSQSA-N 0 0 813.433 5.556 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000164190911 571544859 /nfs/dbraw/zinc/54/48/59/571544859.db2.gz SKKMYZFJDHJYBW-OCDQFKQQSA-N 0 0 704.714 5.213 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000164201404 571545024 /nfs/dbraw/zinc/54/50/24/571545024.db2.gz GQRLFQYNZKLXIA-FJNIOPPGSA-N 0 0 801.510 6.608 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223803438 571547333 /nfs/dbraw/zinc/54/73/33/571547333.db2.gz VNYCOJXXTIDEKW-FNZWTVRRSA-N 0 0 598.494 5.300 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223803434 571547350 /nfs/dbraw/zinc/54/73/50/571547350.db2.gz VNYCOJXXTIDEKW-RXFWQSSRSA-N 0 0 598.494 5.300 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223804830 571548637 /nfs/dbraw/zinc/54/86/37/571548637.db2.gz VBLGXARDDMYJRL-NDEPHWFRSA-N 0 0 645.178 5.484 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223804822 571548653 /nfs/dbraw/zinc/54/86/53/571548653.db2.gz VBLGXARDDMYJRL-MUUNZHRXSA-N 0 0 645.178 5.484 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223805198 571548914 /nfs/dbraw/zinc/54/89/14/571548914.db2.gz XZDBLHBAMWPDPM-ZBLYBZFDSA-N 0 0 598.563 6.145 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000164524320 571549300 /nfs/dbraw/zinc/54/93/00/571549300.db2.gz TXJOXFVXEZIWGC-POKSHJSXSA-N 0 0 869.475 6.632 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1 ZINC000164526532 571549304 /nfs/dbraw/zinc/54/93/04/571549304.db2.gz YISMNTBCKMEYIX-SRTOOPEESA-N 0 0 681.726 6.216 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224458826 571550644 /nfs/dbraw/zinc/55/06/44/571550644.db2.gz QBHAKXDJPUAZOA-NDEPHWFRSA-N 0 0 647.581 5.963 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223813022 571552588 /nfs/dbraw/zinc/55/25/88/571552588.db2.gz INWFDFGXPIGRBW-IBVKSMDESA-N 0 0 598.494 5.300 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223820312 571555735 /nfs/dbraw/zinc/55/57/35/571555735.db2.gz GAIUTUJJXDZBBU-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223820280 571555742 /nfs/dbraw/zinc/55/57/42/571555742.db2.gz RUPZCTQPHKSMHN-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224479724 571555864 /nfs/dbraw/zinc/55/58/64/571555864.db2.gz MTBKYQPAMXOMIB-BJKOFHAPSA-N 0 0 506.971 6.089 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224481170 571556138 /nfs/dbraw/zinc/55/61/38/571556138.db2.gz GTSPDUURNKHOID-HHHXNRCGSA-N 0 0 635.570 5.142 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224485171 571557174 /nfs/dbraw/zinc/55/71/74/571557174.db2.gz YQWCFCOMCOKHCF-NRFANRHFSA-N 0 0 538.428 5.155 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224497982 571560732 /nfs/dbraw/zinc/56/07/32/571560732.db2.gz LLOIXEYBHZAZDG-VWLOTQADSA-N 0 0 528.436 5.610 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223857197 571562724 /nfs/dbraw/zinc/56/27/24/571562724.db2.gz GYSZYGSCGBXMPJ-BCHFMIIMSA-N 0 0 542.463 5.999 40 5 KKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 ZINC000224509774 571563347 /nfs/dbraw/zinc/56/33/47/571563347.db2.gz SNWQPYFLDFOIPX-DHIUTWEWSA-N 0 0 521.396 6.189 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223863559 571563931 /nfs/dbraw/zinc/56/39/31/571563931.db2.gz RFZYOFANQPFIFY-HHHXNRCGSA-N 0 0 635.570 5.821 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224512857 571564007 /nfs/dbraw/zinc/56/40/07/571564007.db2.gz HIJQLMAUZYLSJM-MGBGTMOVSA-N 0 0 727.667 6.580 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000197884463 571565920 /nfs/dbraw/zinc/56/59/20/571565920.db2.gz VIZJBLNOWGMNHA-QHCPKHFHSA-N 0 0 579.708 5.496 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223879649 571566891 /nfs/dbraw/zinc/56/68/91/571566891.db2.gz BRSHHTMMSBDDHM-NFQMXDRXSA-N 0 0 665.596 5.231 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000205701765 571570172 /nfs/dbraw/zinc/57/01/72/571570172.db2.gz HCOGSOWUBAWJFB-ZVHZXABRSA-N 0 0 533.562 5.166 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205703289 571570233 /nfs/dbraw/zinc/57/02/33/571570233.db2.gz ZXTDLIANFRVRPZ-CIAFOILYSA-N 0 0 698.276 6.620 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000205771571 571571004 /nfs/dbraw/zinc/57/10/04/571571004.db2.gz GJAFRECUDBEYIK-SRZZPIQSSA-N 0 0 560.369 6.313 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205778264 571571105 /nfs/dbraw/zinc/57/11/05/571571105.db2.gz BBMUXKHJEFCQAT-DJKKODMXSA-N 0 0 540.472 5.402 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000205782759 571571168 /nfs/dbraw/zinc/57/11/68/571571168.db2.gz FXBXRBLWNNSJNC-KEBDBYFISA-N 0 0 554.499 5.793 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000205780157 571571238 /nfs/dbraw/zinc/57/12/38/571571238.db2.gz JZNSUPRJJJOYAI-RGVLZGJSSA-N 0 0 579.425 5.323 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCCC1 ZINC000205798276 571571297 /nfs/dbraw/zinc/57/12/97/571571297.db2.gz OQFBDIHOICPHCW-UDWIEESQSA-N 0 0 535.500 5.455 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCCC1 ZINC000205871896 571571879 /nfs/dbraw/zinc/57/18/79/571571879.db2.gz DJFAFANDDAHQDZ-VXLYETTFSA-N 0 0 600.369 5.827 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223909854 571573184 /nfs/dbraw/zinc/57/31/84/571573184.db2.gz IUUNYKLMZNZKIF-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223919012 571575305 /nfs/dbraw/zinc/57/53/05/571575305.db2.gz WUUATCTZMJDCCG-NRUKRWIHSA-N 0 0 697.641 6.652 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223920041 571575419 /nfs/dbraw/zinc/57/54/19/571575419.db2.gz LRBVIXATKPRXHE-MUUNZHRXSA-N 0 0 679.623 6.138 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224566211 571576045 /nfs/dbraw/zinc/57/60/45/571576045.db2.gz OBGISGRHWGWUKM-XIFFEERXSA-N 0 0 741.694 6.969 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211057337 571576136 /nfs/dbraw/zinc/57/61/36/571576136.db2.gz FQKYKTCJBAUBTI-XHLNEMQHSA-N 0 0 549.608 6.728 40 5 KKBBRN Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)o1 ZINC000211436110 571576366 /nfs/dbraw/zinc/57/63/66/571576366.db2.gz UOYUVAYFFRAZPI-NLXUKWATSA-N 0 0 596.621 5.330 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224568330 571576500 /nfs/dbraw/zinc/57/65/00/571576500.db2.gz GZSICAXCFBVMGH-RUZDIDTESA-N 0 0 574.461 5.455 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000214055067 571577288 /nfs/dbraw/zinc/57/72/88/571577288.db2.gz CWETUZNTYSXEAW-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000214075663 571577390 /nfs/dbraw/zinc/57/73/90/571577390.db2.gz GPYPAJGKMMAFTE-SRZZPIQSSA-N 0 0 534.899 7.296 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000214221759 571578046 /nfs/dbraw/zinc/57/80/46/571578046.db2.gz CWFCZLUBIQDVHB-SRZZPIQSSA-N 0 0 518.444 6.782 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000214236554 571578277 /nfs/dbraw/zinc/57/82/77/571578277.db2.gz SGPHCVIRZIAZIF-YDZHTSKRSA-N 0 0 587.423 6.711 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000214355574 571578680 /nfs/dbraw/zinc/57/86/80/571578680.db2.gz HHHLECYMSLFSID-SRZZPIQSSA-N 0 0 518.444 6.782 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223936053 571578681 /nfs/dbraw/zinc/57/86/81/571578681.db2.gz OJPWCFJSOLSINI-CCLHPLFOSA-N 0 0 665.596 5.231 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214402211 571578934 /nfs/dbraw/zinc/57/89/34/571578934.db2.gz VHFXDUIKIDNSBA-LSFURLLWSA-N 0 0 576.370 6.847 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214438280 571579225 /nfs/dbraw/zinc/57/92/25/571579225.db2.gz IJZOFRUAHYQGQV-ZVBGSRNCSA-N 0 0 546.344 6.839 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223938611 571579314 /nfs/dbraw/zinc/57/93/14/571579314.db2.gz LTLQFBDCHKYIMH-FQEVSTJZSA-N 0 0 526.417 5.013 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214588113 571579683 /nfs/dbraw/zinc/57/96/83/571579683.db2.gz KGTNTQSFFSSKKY-MFKUBSTISA-N 0 0 504.564 6.117 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1 ZINC000214670677 571580259 /nfs/dbraw/zinc/58/02/59/571580259.db2.gz JMKBHNYOHOYZPW-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214708007 571580562 /nfs/dbraw/zinc/58/05/62/571580562.db2.gz MVPFIWCOJBNQEM-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1 ZINC000214709643 571580643 /nfs/dbraw/zinc/58/06/43/571580643.db2.gz MMNMSOKUCSDJAU-KEBDBYFISA-N 0 0 505.335 6.407 40 5 KKBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223945092 571580760 /nfs/dbraw/zinc/58/07/60/571580760.db2.gz GETLACROEKMBFF-GOSISDBHSA-N 0 0 671.987 5.621 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214778561 571580928 /nfs/dbraw/zinc/58/09/28/571580928.db2.gz JAECWFARLFUFNZ-WSDLNYQXSA-N 0 0 515.374 6.717 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224586588 571581056 /nfs/dbraw/zinc/58/10/56/571581056.db2.gz CCHZFUPDVXMSGK-SANMLTNESA-N 0 0 588.557 6.690 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214795504 571581111 /nfs/dbraw/zinc/58/11/11/571581111.db2.gz SFYMCMFPNVXGFH-UFFVCSGVSA-N 0 0 546.344 6.839 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223947829 571581347 /nfs/dbraw/zinc/58/13/47/571581347.db2.gz HZRPJIFQQWJENC-HXUWFJFHSA-N 0 0 633.554 5.573 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000214837224 571581432 /nfs/dbraw/zinc/58/14/32/571581432.db2.gz YVBQYEJVKVTTGJ-JFLMPSFJSA-N 0 0 594.567 8.194 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214875735 571581626 /nfs/dbraw/zinc/58/16/26/571581626.db2.gz ZZNLZQTYLNWNRG-UFFVCSGVSA-N 0 0 546.344 6.839 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000214943637 571581977 /nfs/dbraw/zinc/58/19/77/571581977.db2.gz XKEPDZXVBNLMIV-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214931619 571582018 /nfs/dbraw/zinc/58/20/18/571582018.db2.gz MXRXHMQFVXLBAR-ZVHZXABRSA-N 0 0 569.433 6.572 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224591745 571582081 /nfs/dbraw/zinc/58/20/81/571582081.db2.gz QWHTZQUGFXVWGJ-UUWRZZSWSA-N 0 0 688.803 5.282 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214971351 571582192 /nfs/dbraw/zinc/58/21/92/571582192.db2.gz CTKHUYFWMFQZLP-YDZHTSKRSA-N 0 0 555.406 6.181 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214982796 571582242 /nfs/dbraw/zinc/58/22/42/571582242.db2.gz KQEHAMSTMGGZNZ-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCc1c(F)cccc1Cl ZINC000215001872 571582442 /nfs/dbraw/zinc/58/24/42/571582442.db2.gz OOFRQQFXAFJODV-FSJBWODESA-N 0 0 528.945 6.211 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000215018136 571582582 /nfs/dbraw/zinc/58/25/82/571582582.db2.gz WZCHTRYYIQHHNV-DHRITJCHSA-N 0 0 626.485 6.237 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1Br ZINC000215092623 571582879 /nfs/dbraw/zinc/58/28/79/571582879.db2.gz RWWAEESOFVIOAA-VXLYETTFSA-N 0 0 564.211 6.616 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224595356 571582838 /nfs/dbraw/zinc/58/28/38/571582838.db2.gz XXPJSNHHHWFWBE-XIFFEERXSA-N 0 0 723.248 5.935 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl ZINC000215117686 571583064 /nfs/dbraw/zinc/58/30/64/571583064.db2.gz XJWSJNHZRFIVAC-ODCIPOBUSA-N 0 0 631.785 8.197 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215136994 571583273 /nfs/dbraw/zinc/58/32/73/571583273.db2.gz MCZOYVBALBYEHP-ZVBGSRNCSA-N 0 0 552.889 7.435 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215137343 571583280 /nfs/dbraw/zinc/58/32/80/571583280.db2.gz MNMKDOKNGQESPC-ZVBGSRNCSA-N 0 0 559.915 6.333 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215128991 571583297 /nfs/dbraw/zinc/58/32/97/571583297.db2.gz CVAJPTRJSKFMLN-FOKLQQMPSA-N 0 0 528.945 6.211 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224598826 571583473 /nfs/dbraw/zinc/58/34/73/571583473.db2.gz LGONQGRZZUTQEC-AREMUKBSSA-N 0 0 635.570 5.222 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(I)cc1 ZINC000215179051 571583601 /nfs/dbraw/zinc/58/36/01/571583601.db2.gz IHPBGBAAQDJBQV-YBFXNURJSA-N 0 0 532.315 5.696 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 ZINC000215193402 571583604 /nfs/dbraw/zinc/58/36/04/571583604.db2.gz WTNPILSOLFSVEY-SRZZPIQSSA-N 0 0 626.350 7.247 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000223957581 571583652 /nfs/dbraw/zinc/58/36/52/571583652.db2.gz BJCRYRFEURAFMC-SVBPBHIXSA-N 0 0 527.606 5.264 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000215244985 571584307 /nfs/dbraw/zinc/58/43/07/571584307.db2.gz DJPVFWOGEHNKGM-PGGKNCGUSA-N 0 0 554.964 5.801 40 5 KKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215269449 571584469 /nfs/dbraw/zinc/58/44/69/571584469.db2.gz GKPURDXCDCOORG-IFRROFPPSA-N 0 0 519.318 6.127 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224012161 571594978 /nfs/dbraw/zinc/59/49/78/571594978.db2.gz FKWYVVBQXTZOGB-HHHXNRCGSA-N 0 0 675.204 5.493 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224012228 571595012 /nfs/dbraw/zinc/59/50/12/571595012.db2.gz FKWYVVBQXTZOGB-MHZLTWQESA-N 0 0 675.204 5.493 40 5 KKBBRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000216358546 571595262 /nfs/dbraw/zinc/59/52/62/571595262.db2.gz HANXASORMOCFGO-SANMLTNESA-N 0 0 555.653 5.019 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 ZINC000224656803 571596846 /nfs/dbraw/zinc/59/68/46/571596846.db2.gz NRHJATBRHNGDEU-FQLXRVMXSA-N 0 0 534.597 7.219 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224031154 571598435 /nfs/dbraw/zinc/59/84/35/571598435.db2.gz IPNRWOYKADBSRG-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN O=C1[C@@H]2C[C@@H]3[C@H](C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl ZINC000217420923 571601374 /nfs/dbraw/zinc/60/13/74/571601374.db2.gz FOKXNSDHYMSFQJ-KCINNPRZSA-N 0 0 545.033 5.572 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224681844 571602516 /nfs/dbraw/zinc/60/25/16/571602516.db2.gz RXUPJFXWOINTIK-LOYHVIPDSA-N 0 0 547.640 7.058 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224684152 571603308 /nfs/dbraw/zinc/60/33/08/571603308.db2.gz FKXGHFKMLZOPSJ-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 ZINC000224687747 571604451 /nfs/dbraw/zinc/60/44/51/571604451.db2.gz BUVCVSMGJBHIIP-IOWSJCHKSA-N 0 0 578.650 7.536 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224691134 571605266 /nfs/dbraw/zinc/60/52/66/571605266.db2.gz CUVCIYSROWAZRZ-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224068812 571605899 /nfs/dbraw/zinc/60/58/99/571605899.db2.gz FUCOIVOMQQCBIY-FTJBHMTQSA-N 0 0 551.024 6.106 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224074437 571606678 /nfs/dbraw/zinc/60/66/78/571606678.db2.gz FQCNKTIFPILDPQ-JGCGQSQUSA-N 0 0 628.751 5.265 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224076663 571606888 /nfs/dbraw/zinc/60/68/88/571606888.db2.gz PXTIOXPPJSXTFC-UIOOFZCWSA-N 0 0 551.024 6.106 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000224076811 571607024 /nfs/dbraw/zinc/60/70/24/571607024.db2.gz PXTIOXPPJSXTFC-CLJLJLNGSA-N 0 0 551.024 6.106 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224085463 571607966 /nfs/dbraw/zinc/60/79/66/571607966.db2.gz OLKIQMYVLIJXKQ-UUWRZZSWSA-N 0 0 672.804 5.582 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224718110 571609644 /nfs/dbraw/zinc/60/96/44/571609644.db2.gz JXTVOZVERIOHST-DEOSSOPVSA-N 0 0 671.216 5.935 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224719347 571609925 /nfs/dbraw/zinc/60/99/25/571609925.db2.gz JFFITLMHZLXMQG-NDEPHWFRSA-N 0 0 645.178 5.340 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224721331 571610310 /nfs/dbraw/zinc/61/03/10/571610310.db2.gz MXPFUGIGBMEMKY-FQEVSTJZSA-N 0 0 696.020 5.465 40 5 KKBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224739402 571612658 /nfs/dbraw/zinc/61/26/58/571612658.db2.gz VIGIZLNYUDPFBJ-OAQYLSRUSA-N 0 0 643.560 5.029 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224750223 571613732 /nfs/dbraw/zinc/61/37/32/571613732.db2.gz SXMLNXLPFAWDGH-LOYHVIPDSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224750367 571613752 /nfs/dbraw/zinc/61/37/52/571613752.db2.gz QTOZHFTZHQIBPD-XZWHSSHBSA-N 0 0 563.639 6.759 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 ZINC000224756106 571614283 /nfs/dbraw/zinc/61/42/83/571614283.db2.gz AQEHKNWULXQPQM-IOWSJCHKSA-N 0 0 594.649 7.236 40 5 KKBBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000224759332 571614510 /nfs/dbraw/zinc/61/45/10/571614510.db2.gz WCHNSMXHDLXXFP-LOYHVIPDSA-N 0 0 564.623 7.228 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(Br)cs3)cc2)cc1 ZINC000224761684 571614729 /nfs/dbraw/zinc/61/47/29/571614729.db2.gz UVTDAXJQEUTRPZ-DHIUTWEWSA-N 0 0 569.531 7.142 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccn3)cc2)cc1 ZINC000224761954 571614734 /nfs/dbraw/zinc/61/47/34/571614734.db2.gz DUNPMUXHQHLDCS-NSOVKSMOSA-N 0 0 550.669 6.504 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 ZINC000224762893 571614846 /nfs/dbraw/zinc/61/48/46/571614846.db2.gz BEGNHHVQWSSHRS-DQEYMECFSA-N 0 0 501.637 6.263 40 5 KKBBRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224763392 571614915 /nfs/dbraw/zinc/61/49/15/571614915.db2.gz HHNKJTVKXHCIGZ-FTJBHMTQSA-N 0 0 515.664 6.701 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 ZINC000224763976 571614964 /nfs/dbraw/zinc/61/49/64/571614964.db2.gz QLOSRGOKXGWNGW-IOWSJCHKSA-N 0 0 592.750 7.180 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 ZINC000224764178 571614975 /nfs/dbraw/zinc/61/49/75/571614975.db2.gz MNTKJBWPDVHWEN-RRPNLBNLSA-N 0 0 584.752 7.182 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 ZINC000224765995 571615136 /nfs/dbraw/zinc/61/51/36/571615136.db2.gz HASQYPPCVWUYBP-WUFINQPMSA-N 0 0 541.702 7.071 40 5 KKBBRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224767171 571615218 /nfs/dbraw/zinc/61/52/18/571615218.db2.gz XOUBCZAUDFGDKJ-XZWHSSHBSA-N 0 0 563.708 7.417 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224768563 571615274 /nfs/dbraw/zinc/61/52/74/571615274.db2.gz KTYQQKRYUUPQHN-XIFFEERXSA-N 0 0 640.762 5.489 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 ZINC000224768363 571615313 /nfs/dbraw/zinc/61/53/13/571615313.db2.gz VRPBBOVLQJBATP-QLCOJLISSA-N 0 0 557.701 6.299 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C3CCCC3)cc2)cc1 ZINC000224768667 571615355 /nfs/dbraw/zinc/61/53/55/571615355.db2.gz NTHAMOHOLYZZSI-NSOVKSMOSA-N 0 0 541.702 7.235 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 ZINC000224770084 571615425 /nfs/dbraw/zinc/61/54/25/571615425.db2.gz ILTXKZWXHYPGRE-IHLOFXLRSA-N 0 0 569.756 7.852 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224772489 571615708 /nfs/dbraw/zinc/61/57/08/571615708.db2.gz HKJKULNFPLQBOO-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224774536 571615841 /nfs/dbraw/zinc/61/58/41/571615841.db2.gz NPROBWYKULYQNF-DHUJRADRSA-N 0 0 684.815 5.806 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224781509 571616496 /nfs/dbraw/zinc/61/64/96/571616496.db2.gz NQSXVDXVQCUBFO-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 ZINC000224782048 571616582 /nfs/dbraw/zinc/61/65/82/571616582.db2.gz RWCKUJNFUJVZBO-WDYNHAJCSA-N 0 0 567.671 7.248 40 5 KKBBRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224782744 571616634 /nfs/dbraw/zinc/61/66/34/571616634.db2.gz FVAJKRQXIZNLAA-KYJUHHDHSA-N 0 0 579.707 7.117 40 5 KKBBRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224782646 571616639 /nfs/dbraw/zinc/61/66/39/571616639.db2.gz FVAJKRQXIZNLAA-IHLOFXLRSA-N 0 0 579.707 7.117 40 5 KKBBRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224783310 571616652 /nfs/dbraw/zinc/61/66/52/571616652.db2.gz WPWCFXKSKJSNSR-IOWSJCHKSA-N 0 0 593.734 7.508 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 ZINC000224783152 571616661 /nfs/dbraw/zinc/61/66/61/571616661.db2.gz GPNNUWYPXLFAPR-FQLXRVMXSA-N 0 0 565.680 6.814 40 5 KKBBRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224783224 571616688 /nfs/dbraw/zinc/61/66/88/571616688.db2.gz WPWCFXKSKJSNSR-FIRIVFDPSA-N 0 0 593.734 7.508 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 ZINC000224785779 571616976 /nfs/dbraw/zinc/61/69/76/571616976.db2.gz IAAPTYNSLMHDJV-FQLXRVMXSA-N 0 0 550.665 7.578 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 ZINC000224787738 571617173 /nfs/dbraw/zinc/61/71/73/571617173.db2.gz DWXGDFGCVKLTFJ-FQLXRVMXSA-N 0 0 619.555 8.885 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C4CCCC4)c3)cc2)cc1 ZINC000224790426 571617393 /nfs/dbraw/zinc/61/73/93/571617393.db2.gz ZURKORDWSWBHID-IZLXSDGUSA-N 0 0 541.702 7.235 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 ZINC000224790833 571617414 /nfs/dbraw/zinc/61/74/14/571617414.db2.gz FGKFHRGQXPCIRR-WDYNHAJCSA-N 0 0 549.681 7.109 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224793503 571617688 /nfs/dbraw/zinc/61/76/88/571617688.db2.gz RADHDMYQMJQTTJ-AREMUKBSSA-N 0 0 714.068 6.647 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224822868 571620482 /nfs/dbraw/zinc/62/04/82/571620482.db2.gz POYPXNPUSMFJRS-UHFFFAOYSA-N 0 0 501.564 5.065 40 5 KKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224831038 571621366 /nfs/dbraw/zinc/62/13/66/571621366.db2.gz WXNGHWSGWNSOCN-HXUWFJFHSA-N 0 0 651.569 5.357 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224831088 571621373 /nfs/dbraw/zinc/62/13/73/571621373.db2.gz WXNGHWSGWNSOCN-FQEVSTJZSA-N 0 0 651.569 5.357 40 5 KKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224839083 571622124 /nfs/dbraw/zinc/62/21/24/571622124.db2.gz KHQBNEZQDDJGKG-UHFFFAOYSA-N 0 0 517.991 5.028 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224848931 571622902 /nfs/dbraw/zinc/62/29/02/571622902.db2.gz HOSHIWPMGVXCRJ-SANMLTNESA-N 0 0 540.085 5.646 40 5 KKBBRN Cc1c(N(Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224864167 571624531 /nfs/dbraw/zinc/62/45/31/571624531.db2.gz FFEZZASXYGDKBK-UHFFFAOYSA-N 0 0 515.591 5.374 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224907579 571628815 /nfs/dbraw/zinc/62/88/15/571628815.db2.gz XVODGNSFEBMTRS-WJOKGBTCSA-N 0 0 649.169 5.608 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224909272 571628948 /nfs/dbraw/zinc/62/89/48/571628948.db2.gz DEVBGOJJWJCSJO-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224918770 571629800 /nfs/dbraw/zinc/62/98/00/571629800.db2.gz CEORXZJTUSMJJV-IBGZPJMESA-N 0 0 607.516 5.040 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224921557 571630125 /nfs/dbraw/zinc/63/01/25/571630125.db2.gz PISGIUCNHRLHSY-XIFFEERXSA-N 0 0 675.207 6.142 40 5 KKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224938093 571631939 /nfs/dbraw/zinc/63/19/39/571631939.db2.gz QVWFMPLAQUDNDR-UHFFFAOYSA-N 0 0 549.992 6.366 40 5 KKBBRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000224938592 571631952 /nfs/dbraw/zinc/63/19/52/571631952.db2.gz JQIYCQCDVDOEMB-UHFFFAOYSA-N 0 0 560.072 5.321 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000224946400 571632744 /nfs/dbraw/zinc/63/27/44/571632744.db2.gz IQATZVLTRRTJLY-ZEQRLZLVSA-N 0 0 535.423 6.498 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224958315 571633776 /nfs/dbraw/zinc/63/37/76/571633776.db2.gz QYVUPGULYYWBCS-HHHXNRCGSA-N 0 0 659.205 5.383 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224958264 571633787 /nfs/dbraw/zinc/63/37/87/571633787.db2.gz QYVUPGULYYWBCS-MHZLTWQESA-N 0 0 659.205 5.383 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224962942 571634348 /nfs/dbraw/zinc/63/43/48/571634348.db2.gz RBJWZMSVMMZKEJ-IBGZPJMESA-N 0 0 686.014 6.011 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224967752 571634837 /nfs/dbraw/zinc/63/48/37/571634837.db2.gz GXVBNHROKUKZJR-DNQXCXABSA-N 0 0 505.987 5.620 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224972768 571635287 /nfs/dbraw/zinc/63/52/87/571635287.db2.gz NKJPTVZBHFKFIF-RPBOFIJWSA-N 0 0 536.997 6.098 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000224975564 571635467 /nfs/dbraw/zinc/63/54/67/571635467.db2.gz QDGWREHLOIGNIB-DNQXCXABSA-N 0 0 506.971 6.089 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224985737 571636468 /nfs/dbraw/zinc/63/64/68/571636468.db2.gz RRYLWSAXBDLBJF-VWLOTQADSA-N 0 0 538.442 5.065 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224994329 571637400 /nfs/dbraw/zinc/63/74/00/571637400.db2.gz AQFLGKUFIUMBTH-XIFFEERXSA-N 0 0 737.673 6.034 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224996389 571637615 /nfs/dbraw/zinc/63/76/15/571637615.db2.gz ZFPMHXZCLYNGOM-YTTGMZPUSA-N 0 0 772.118 6.688 40 5 KKBBRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 ZINC000225004017 571638305 /nfs/dbraw/zinc/63/83/05/571638305.db2.gz SNIUOVKOLSUWQL-WDYNHAJCSA-N 0 0 574.106 7.317 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225009989 571638721 /nfs/dbraw/zinc/63/87/21/571638721.db2.gz FXKRKYCNUQOLHC-GDLZYMKVSA-N 0 0 592.718 5.046 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225046773 571641902 /nfs/dbraw/zinc/64/19/02/571641902.db2.gz BYOMONZPZGKDBW-XIFFEERXSA-N 0 0 727.667 6.579 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225084865 571645768 /nfs/dbraw/zinc/64/57/68/571645768.db2.gz HNAOZOTVJUFDMT-XIFFEERXSA-N 0 0 709.652 6.796 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225093288 571646601 /nfs/dbraw/zinc/64/66/01/571646601.db2.gz XHQVEFDGYNCVHE-WJOKGBTCSA-N 0 0 683.614 6.262 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225114869 571648823 /nfs/dbraw/zinc/64/88/23/571648823.db2.gz UNYIZVFFTRFUOQ-DHUJRADRSA-N 0 0 749.286 6.468 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225131148 571650244 /nfs/dbraw/zinc/65/02/44/571650244.db2.gz ZDKURGCJTZUZKI-QFIPXVFZSA-N 0 0 613.136 5.310 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225134799 571650621 /nfs/dbraw/zinc/65/06/21/571650621.db2.gz LLJUIYXZPLUGPW-LJAQVGFWSA-N 0 0 627.163 5.700 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000225146919 571652051 /nfs/dbraw/zinc/65/20/51/571652051.db2.gz AHLHNNXLERAQLT-IZZNHLLZSA-N 0 0 562.051 6.675 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000225146838 571652065 /nfs/dbraw/zinc/65/20/65/571652065.db2.gz AHLHNNXLERAQLT-UIOOFZCWSA-N 0 0 562.051 6.675 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000225169589 571654138 /nfs/dbraw/zinc/65/41/38/571654138.db2.gz FGDBTBYWWQBDHC-KAYWLYCHSA-N 0 0 527.606 6.084 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225172110 571654366 /nfs/dbraw/zinc/65/43/66/571654366.db2.gz YVVPQFKCCANSQC-SSEXGKCCSA-N 0 0 671.216 6.017 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225177565 571654865 /nfs/dbraw/zinc/65/48/65/571654865.db2.gz UHTBRERKDJFFMK-GOSISDBHSA-N 0 0 548.503 5.457 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225181063 571655299 /nfs/dbraw/zinc/65/52/99/571655299.db2.gz OZMVOYLJGPGXJA-JOCHJYFZSA-N 0 0 657.587 5.419 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225189167 571656116 /nfs/dbraw/zinc/65/61/16/571656116.db2.gz JMYFMBQIRDLQJM-QFIPXVFZSA-N 0 0 736.085 6.389 40 5 KKBBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000225195825 571656729 /nfs/dbraw/zinc/65/67/29/571656729.db2.gz HCBKHLGOUAMSMR-SXOMAYOGSA-N 0 0 542.621 5.315 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225210590 571658263 /nfs/dbraw/zinc/65/82/63/571658263.db2.gz CLXGADWZMFENEQ-VWLOTQADSA-N 0 0 665.596 5.748 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225217220 571658931 /nfs/dbraw/zinc/65/89/31/571658931.db2.gz SDBNOTMAOVTWCW-OAQYLSRUSA-N 0 0 710.047 5.857 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225228618 571660278 /nfs/dbraw/zinc/66/02/78/571660278.db2.gz HVJJRMISQMULOW-LJAQVGFWSA-N 0 0 545.705 5.917 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225254764 571663049 /nfs/dbraw/zinc/66/30/49/571663049.db2.gz CKHBEEMFXSSNQC-VQTJNVASSA-N 0 0 621.543 5.429 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225277501 571665752 /nfs/dbraw/zinc/66/57/52/571665752.db2.gz LEZPYLOVYNWAAN-QFIPXVFZSA-N 0 0 506.430 5.700 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000225279954 571665995 /nfs/dbraw/zinc/66/59/95/571665995.db2.gz AFZWWOVZKVZSJK-SXOMAYOGSA-N 0 0 543.605 5.320 40 5 KKBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225282684 571666230 /nfs/dbraw/zinc/66/62/30/571666230.db2.gz JAJRNAOYPOEEPC-NRFANRHFSA-N 0 0 512.459 5.468 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225315098 571671210 /nfs/dbraw/zinc/67/12/10/571671210.db2.gz LSHFSEGEKPDTII-HZPDHXFCSA-N 0 0 512.459 5.467 40 5 KKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000225292981 571667477 /nfs/dbraw/zinc/66/74/77/571667477.db2.gz MZOKFOVFJVBJCE-SSEXGKCCSA-N 0 0 559.732 6.225 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225292847 571667511 /nfs/dbraw/zinc/66/75/11/571667511.db2.gz LQQDEZXBSJGLNM-XMMPIXPASA-N 0 0 613.564 5.232 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225306313 571669306 /nfs/dbraw/zinc/66/93/06/571669306.db2.gz BHVIHXCMUNACHX-SSEXGKCCSA-N 0 0 622.744 5.055 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225307042 571669409 /nfs/dbraw/zinc/66/94/09/571669409.db2.gz APXNAISIPIXREK-LJAQVGFWSA-N 0 0 559.663 5.380 40 5 KKBBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC ZINC000225309814 571669962 /nfs/dbraw/zinc/66/99/62/571669962.db2.gz KRXIYALNMTYZKD-RRPNLBNLSA-N 0 0 559.604 5.020 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260756161 571670529 /nfs/dbraw/zinc/67/05/29/571670529.db2.gz FEVVNRKJVKOTGY-HXUWFJFHSA-N 0 0 665.596 5.746 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225313041 571670569 /nfs/dbraw/zinc/67/05/69/571670569.db2.gz UNAWNZQDKMPCHB-AREMUKBSSA-N 0 0 621.543 5.431 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225328529 571685126 /nfs/dbraw/zinc/68/51/26/571685126.db2.gz WWPOPWDVWPYBGZ-VQTJNVASSA-N 0 0 700.041 6.399 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225328835 571685640 /nfs/dbraw/zinc/68/56/40/571685640.db2.gz PCQYSBDXXHJWPX-UMSFTDKQSA-N 0 0 721.276 6.625 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225335302 571693861 /nfs/dbraw/zinc/69/38/61/571693861.db2.gz LBLUPCZDFJPITJ-OAQYLSRUSA-N 0 0 512.459 5.468 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260785109 571694062 /nfs/dbraw/zinc/69/40/62/571694062.db2.gz KLIJVRHTOMUMDJ-JOCHJYFZSA-N 0 0 673.188 5.245 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260787035 571695014 /nfs/dbraw/zinc/69/50/14/571695014.db2.gz LYEQDRJSLIENHT-LJQANCHMSA-N 0 0 700.041 6.399 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225343587 571702858 /nfs/dbraw/zinc/70/28/58/571702858.db2.gz QOKXDWUFDYUNGL-MUUNZHRXSA-N 0 0 533.694 5.693 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225346653 571706839 /nfs/dbraw/zinc/70/68/39/571706839.db2.gz CQICUSIKITXHKA-HHHXNRCGSA-N 0 0 665.596 5.748 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225357722 571719065 /nfs/dbraw/zinc/71/90/65/571719065.db2.gz NYGMXDDGXBTCIB-PMERELPUSA-N 0 0 606.745 5.089 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225357784 571719132 /nfs/dbraw/zinc/71/91/32/571719132.db2.gz YLGUZFYGFJUAAY-UUWRZZSWSA-N 0 0 721.276 6.625 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225360028 571721896 /nfs/dbraw/zinc/72/18/96/571721896.db2.gz KOVNHBYBTZKJMB-IZZNHLLZSA-N 0 0 500.580 6.214 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225360829 571723064 /nfs/dbraw/zinc/72/30/64/571723064.db2.gz FFWOTKQQGIURKX-LJAQVGFWSA-N 0 0 657.189 5.112 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225372598 571738379 /nfs/dbraw/zinc/73/83/79/571738379.db2.gz NWOGSCIGBKSMDA-SANMLTNESA-N 0 0 508.018 5.347 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225377827 571744752 /nfs/dbraw/zinc/74/47/52/571744752.db2.gz JHVUAKBBBLRSKA-VSGBNLITSA-N 0 0 525.634 6.279 40 5 KKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 ZINC000225383930 571752482 /nfs/dbraw/zinc/75/24/82/571752482.db2.gz VYWRMYKBGQWSCY-VSGBNLITSA-N 0 0 526.618 6.748 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260867713 571769294 /nfs/dbraw/zinc/76/92/94/571769294.db2.gz APECMRIRELJBLJ-OAQYLSRUSA-N 0 0 631.151 5.093 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225406076 571774967 /nfs/dbraw/zinc/77/49/67/571774967.db2.gz JPQUIAUHJSOZIG-JGCGQSQUSA-N 0 0 663.196 6.000 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225418218 571785111 /nfs/dbraw/zinc/78/51/11/571785111.db2.gz FQALUSBGUQBXKI-XIFFEERXSA-N 0 0 741.694 6.970 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260885753 571796119 /nfs/dbraw/zinc/79/61/19/571796119.db2.gz CKHBEEMFXSSNQC-UXHICEINSA-N 0 0 621.543 5.429 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260888169 571800620 /nfs/dbraw/zinc/80/06/20/571800620.db2.gz FITCCEJZRHZXLG-PSXMRANNSA-N 0 0 747.314 7.158 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260888245 571800630 /nfs/dbraw/zinc/80/06/30/571800630.db2.gz FKZUCWRMVSHDPD-PSXMRANNSA-N 0 0 733.287 6.850 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260890674 571803980 /nfs/dbraw/zinc/80/39/80/571803980.db2.gz LHLBOOXLXGEWTR-VXKWHMMOSA-N 0 0 631.151 5.093 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260894506 571811832 /nfs/dbraw/zinc/81/18/32/571811832.db2.gz GNYFYDVKFTZQFM-UUWRZZSWSA-N 0 0 733.685 6.642 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260895074 571812874 /nfs/dbraw/zinc/81/28/74/571812874.db2.gz SJJCXGTUZLEMCO-JGCGQSQUSA-N 0 0 772.118 6.688 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260895107 571813039 /nfs/dbraw/zinc/81/30/39/571813039.db2.gz SJUQFAKPAUJFEZ-MGBGTMOVSA-N 0 0 707.249 6.234 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260896612 571815464 /nfs/dbraw/zinc/81/54/64/571815464.db2.gz NIFQZASTMCQZBH-HXUWFJFHSA-N 0 0 700.041 6.257 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260900609 571821041 /nfs/dbraw/zinc/82/10/41/571821041.db2.gz DSHJTEQJXBZVSR-UXHICEINSA-N 0 0 621.543 5.429 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225451697 571823053 /nfs/dbraw/zinc/82/30/53/571823053.db2.gz JKRQBWYLVSFOAY-PMERELPUSA-N 0 0 685.641 5.521 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225474232 571844473 /nfs/dbraw/zinc/84/44/73/571844473.db2.gz JOJLVDDFSWFZBP-ATIYNZHBSA-N 0 0 645.178 5.483 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225476666 571846509 /nfs/dbraw/zinc/84/65/09/571846509.db2.gz BXRRYBJHMSQNGD-MGBGTMOVSA-N 0 0 725.239 6.456 40 5 KKBBRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 ZINC000260916512 571848666 /nfs/dbraw/zinc/84/86/66/571848666.db2.gz JFOZYGXJNYIJSE-JMGNVCAQSA-N 0 0 587.149 7.093 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260922020 571857864 /nfs/dbraw/zinc/85/78/64/571857864.db2.gz MLZIXSLUXRWLDD-UUWRZZSWSA-N 0 0 733.685 6.642 40 5 KKBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260925161 571864557 /nfs/dbraw/zinc/86/45/57/571864557.db2.gz NSEMHQUHMIWROQ-PGUFJCEWSA-N 0 0 668.816 6.188 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260925803 571865634 /nfs/dbraw/zinc/86/56/34/571865634.db2.gz HAYCOBNIPUUPDE-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260929186 571871785 /nfs/dbraw/zinc/87/17/85/571871785.db2.gz VVVZCMRVOZLWNR-OAQYLSRUSA-N 0 0 665.596 5.603 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260931584 571876853 /nfs/dbraw/zinc/87/68/53/571876853.db2.gz KTZHDGWXBLUFAI-OAQYLSRUSA-N 0 0 710.047 5.713 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000260938603 571890887 /nfs/dbraw/zinc/89/08/87/571890887.db2.gz CMTDMDUMDRACFW-MGBGTMOVSA-N 0 0 737.275 6.324 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260939164 571894020 /nfs/dbraw/zinc/89/40/20/571894020.db2.gz RPMIOSXLTZGSJP-UUWRZZSWSA-N 0 0 689.234 6.533 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225529845 571896760 /nfs/dbraw/zinc/89/67/60/571896760.db2.gz GDWNRCSSCKIXDA-XIFFEERXSA-N 0 0 786.145 7.079 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260943553 571899902 /nfs/dbraw/zinc/89/99/02/571899902.db2.gz SKPXIKDHCWHKMF-GDLZYMKVSA-N 0 0 671.614 5.212 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000225536100 571901847 /nfs/dbraw/zinc/90/18/47/571901847.db2.gz BJFXLDACZSVUFZ-IZZNHLLZSA-N 0 0 513.579 5.251 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260943851 571902186 /nfs/dbraw/zinc/90/21/86/571902186.db2.gz DMSLMLGOEKSIGF-HHHXNRCGSA-N 0 0 649.597 5.531 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260944316 571903136 /nfs/dbraw/zinc/90/31/36/571903136.db2.gz JCQHXOSQJYJDTB-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000225540557 571905805 /nfs/dbraw/zinc/90/58/05/571905805.db2.gz XVTGHSUNVPZLOJ-FTJBHMTQSA-N 0 0 513.579 5.251 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225556453 571918272 /nfs/dbraw/zinc/91/82/72/571918272.db2.gz CLJFJNFOGPOIPX-IZLXSDGUSA-N 0 0 540.649 5.344 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225556309 571918324 /nfs/dbraw/zinc/91/83/24/571918324.db2.gz HNOVCIIFCOQVOE-NSOVKSMOSA-N 0 0 540.649 5.344 40 5 KKBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260960834 571931468 /nfs/dbraw/zinc/93/14/68/571931468.db2.gz YOIAVUGDUJAXSS-GDLZYMKVSA-N 0 0 671.614 5.212 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225577802 571937464 /nfs/dbraw/zinc/93/74/64/571937464.db2.gz FJIYURNMKQFHFN-KAYWLYCHSA-N 0 0 526.622 5.090 40 5 KKBBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225579269 571938737 /nfs/dbraw/zinc/93/87/37/571938737.db2.gz LVJLNCGDFYQGGT-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260969649 571942373 /nfs/dbraw/zinc/94/23/73/571942373.db2.gz MILFXVQFMBDGIB-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260970962 571943404 /nfs/dbraw/zinc/94/34/04/571943404.db2.gz MLQGYLDGNGZPNO-VXKWHMMOSA-N 0 0 661.177 5.101 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225597813 571952139 /nfs/dbraw/zinc/95/21/39/571952139.db2.gz OEEUYQQVQYPSSR-SKCUWOTOSA-N 0 0 645.178 5.483 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000260978969 571952340 /nfs/dbraw/zinc/95/23/40/571952340.db2.gz KNNARXUBBREXHZ-UUWRZZSWSA-N 0 0 670.788 5.498 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 ZINC000225599815 571954048 /nfs/dbraw/zinc/95/40/48/571954048.db2.gz UUMGHFYBYAZZOL-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260981125 571955295 /nfs/dbraw/zinc/95/52/95/571955295.db2.gz LBXMUJWLBIDIAV-MUUNZHRXSA-N 0 0 677.607 5.375 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 ZINC000225601994 571956117 /nfs/dbraw/zinc/95/61/17/571956117.db2.gz LGTQMFSODNUSPQ-SVBPBHIXSA-N 0 0 561.595 5.399 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 ZINC000225603995 571957557 /nfs/dbraw/zinc/95/75/57/571957557.db2.gz NTJZMXQRCJVRKW-CLJLJLNGSA-N 0 0 531.569 5.390 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225604789 571958008 /nfs/dbraw/zinc/95/80/08/571958008.db2.gz WLRHQYUWDSUVKD-IBGZPJMESA-N 0 0 686.014 6.009 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260988989 571966865 /nfs/dbraw/zinc/96/68/65/571966865.db2.gz MUQUPLGGRGKQTL-HSZRJFAPSA-N 0 0 657.189 5.627 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260989064 571967336 /nfs/dbraw/zinc/96/73/36/571967336.db2.gz NCARIIAPGCHOBP-GDLZYMKVSA-N 0 0 671.614 5.131 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F ZINC000225619451 571969720 /nfs/dbraw/zinc/96/97/20/571969720.db2.gz XYNDXCBERBNLQN-FTJBHMTQSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F ZINC000225619492 571969854 /nfs/dbraw/zinc/96/98/54/571969854.db2.gz XYNDXCBERBNLQN-CLJLJLNGSA-N 0 0 531.569 5.390 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260992598 571972851 /nfs/dbraw/zinc/97/28/51/571972851.db2.gz NTIWMMGUDFBCCH-JOCHJYFZSA-N 0 0 691.634 6.280 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260992514 571972939 /nfs/dbraw/zinc/97/29/39/571972939.db2.gz QGPOTRAOJVFNDM-UXHICEINSA-N 0 0 621.543 5.429 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F ZINC000225622782 571973536 /nfs/dbraw/zinc/97/35/36/571973536.db2.gz VNJAXTJHYULFLP-FTJBHMTQSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F ZINC000225622762 571973690 /nfs/dbraw/zinc/97/36/90/571973690.db2.gz VNJAXTJHYULFLP-UIOOFZCWSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F ZINC000225622879 571973724 /nfs/dbraw/zinc/97/37/24/571973724.db2.gz OVYLFPUNTJMJQH-FTJBHMTQSA-N 0 0 531.569 5.390 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260993548 571974902 /nfs/dbraw/zinc/97/49/02/571974902.db2.gz QJOJUJSTKMAASI-HXUWFJFHSA-N 0 0 665.596 5.746 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225624569 571976147 /nfs/dbraw/zinc/97/61/47/571976147.db2.gz JHXZRGNBBADFAF-SKCUWOTOSA-N 0 0 645.178 5.483 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260996765 571980405 /nfs/dbraw/zinc/98/04/05/571980405.db2.gz QXAFQTAGPQEHSH-KCWPFWIISA-N 0 0 659.205 5.525 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000225635560 571987283 /nfs/dbraw/zinc/98/72/83/571987283.db2.gz HVSOBZKGZCXMFZ-IZLXSDGUSA-N 0 0 540.649 5.399 40 5 KKBBRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225635778 571987417 /nfs/dbraw/zinc/98/74/17/571987417.db2.gz OIHQEFVPQJAEDG-IBGZPJMESA-N 0 0 607.516 5.039 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225636902 571988410 /nfs/dbraw/zinc/98/84/10/571988410.db2.gz MVTARSYRXZLRON-WUFINQPMSA-N 0 0 541.633 5.868 40 5 KKBBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000225640059 571990992 /nfs/dbraw/zinc/99/09/92/571990992.db2.gz XGPDMGUNLKPOGQ-VSGBNLITSA-N 0 0 541.633 5.868 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261007104 571997346 /nfs/dbraw/zinc/99/73/46/571997346.db2.gz RGOMHXVQHXEWAY-PGUFJCEWSA-N 0 0 733.287 6.768 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000225653492 572000808 /nfs/dbraw/zinc/00/08/08/572000808.db2.gz MKZREDVTFCCNRT-SXOMAYOGSA-N 0 0 526.622 5.090 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261012701 572007747 /nfs/dbraw/zinc/00/77/47/572007747.db2.gz GZQYLQHLSNMCDY-UKJJDJLKSA-N 0 0 646.741 5.484 40 5 KKBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225678569 572017509 /nfs/dbraw/zinc/01/75/09/572017509.db2.gz NEFHUFQBBSKKPC-SXOMAYOGSA-N 0 0 543.605 5.260 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261020744 572020494 /nfs/dbraw/zinc/02/04/94/572020494.db2.gz IFAJFIGFOVYSSZ-JQJBXXCASA-N 0 0 741.694 6.969 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261025705 572026367 /nfs/dbraw/zinc/02/63/67/572026367.db2.gz WELLIZYDDGLACG-OAQYLSRUSA-N 0 0 722.058 5.999 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000225693993 572027728 /nfs/dbraw/zinc/02/77/28/572027728.db2.gz SKNMGUWACHPHJP-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225697795 572029904 /nfs/dbraw/zinc/02/99/04/572029904.db2.gz GIGLOLYAAZCYFX-ZHRRBRCNSA-N 0 0 526.486 5.857 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225701161 572032038 /nfs/dbraw/zinc/03/20/38/572032038.db2.gz QROSBIBSBMHPKR-CCLHPLFOSA-N 0 0 635.570 5.819 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261034425 572036784 /nfs/dbraw/zinc/03/67/84/572036784.db2.gz XWONPXOELFWDQN-JGCGQSQUSA-N 0 0 741.694 6.969 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc21 ZINC000225712242 572041719 /nfs/dbraw/zinc/04/17/19/572041719.db2.gz HONBESXZGOZXLZ-KYJUHHDHSA-N 0 0 563.639 6.404 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000225714459 572043331 /nfs/dbraw/zinc/04/33/31/572043331.db2.gz BKMAYNHSYQOSME-IOWSJCHKSA-N 0 0 593.665 6.413 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261041020 572044361 /nfs/dbraw/zinc/04/43/61/572044361.db2.gz YZGXHLXAAQULEZ-PSXMRANNSA-N 0 0 698.842 6.114 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc21 ZINC000225716378 572044612 /nfs/dbraw/zinc/04/46/12/572044612.db2.gz VPKSAFPUYOCUMR-XZWHSSHBSA-N 0 0 563.639 6.404 40 5 KKBBRN CCC1(CC)C[C@H](NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225805779 572072729 /nfs/dbraw/zinc/07/27/29/572072729.db2.gz SNWHKPUWYGHZOM-VWLOTQADSA-N 0 0 567.664 5.306 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261083336 572076372 /nfs/dbraw/zinc/07/63/72/572076372.db2.gz RQFLGQRSUAHFRP-HRFSGMKKSA-N 0 0 635.570 5.222 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261090257 572080694 /nfs/dbraw/zinc/08/06/94/572080694.db2.gz TXGFVFSGXSUOBG-UUWRZZSWSA-N 0 0 741.694 6.826 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261093501 572083077 /nfs/dbraw/zinc/08/30/77/572083077.db2.gz UPLWZZVITXUMJT-UKJJDJLKSA-N 0 0 663.196 5.998 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000261110401 572094310 /nfs/dbraw/zinc/09/43/10/572094310.db2.gz XSKQHCRNZHPZAX-MUUNZHRXSA-N 0 0 649.597 5.388 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261112006 572095380 /nfs/dbraw/zinc/09/53/80/572095380.db2.gz XZOACNDJFDEEOI-UBOZLPQGSA-N 0 0 707.249 6.315 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261113343 572095748 /nfs/dbraw/zinc/09/57/48/572095748.db2.gz YCGYYNIHBFQFTB-UKJJDJLKSA-N 0 0 663.196 5.998 40 5 KKBBRN CC(C)(C)c1ccc(-c2c3ccc(Br)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(Br)cc32)cc1 ZINC000261508112 572112763 /nfs/dbraw/zinc/11/27/63/572112763.db2.gz PVNXKVGTMVCYLK-UHFFFAOYSA-N 0 0 600.438 11.447 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 ZINC000408543629 572213210 /nfs/dbraw/zinc/21/32/10/572213210.db2.gz PMRSXOVCHQFDTC-YVMONPNESA-N 0 0 526.714 5.907 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408555574 572243032 /nfs/dbraw/zinc/24/30/32/572243032.db2.gz GJOAWEFMQYEDOS-UHFFFAOYSA-N 0 0 511.840 6.978 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408556241 572243753 /nfs/dbraw/zinc/24/37/53/572243753.db2.gz JCULVMAYNLPXOE-UHFFFAOYSA-N 0 0 536.220 6.710 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408562973 572248973 /nfs/dbraw/zinc/24/89/73/572248973.db2.gz HEMGKTGGSZVPGJ-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564458 572250395 /nfs/dbraw/zinc/25/03/95/572250395.db2.gz CZXSVYHGKARFFI-BQGAEBSMSA-N 0 0 598.881 5.745 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564397 572250442 /nfs/dbraw/zinc/25/04/42/572250442.db2.gz CMUZECKZIBMNGH-ZVFGGPEJSA-N 0 0 612.908 6.135 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408564443 572250465 /nfs/dbraw/zinc/25/04/65/572250465.db2.gz CYYFNOXASDBSGY-UHFFFAOYSA-N 0 0 510.753 5.064 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564394 572250472 /nfs/dbraw/zinc/25/04/72/572250472.db2.gz CMUZECKZIBMNGH-KLPDMWAPSA-N 0 0 612.908 6.135 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564418 572250476 /nfs/dbraw/zinc/25/04/76/572250476.db2.gz CTDOVUNHQADOIB-NUWWLQTNSA-N 0 0 633.326 6.398 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564754 572250924 /nfs/dbraw/zinc/25/09/24/572250924.db2.gz FTOJUAKUKNNPND-NUWWLQTNSA-N 0 0 598.881 5.745 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408564773 572251030 /nfs/dbraw/zinc/25/10/30/572251030.db2.gz ABYRYRXUWABGSW-DEOSSOPVSA-N 0 0 555.454 6.036 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408564822 572251047 /nfs/dbraw/zinc/25/10/47/572251047.db2.gz AKSILUGBUKBMBF-QHCPKHFHSA-N 0 0 516.957 6.196 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000408564783 572251083 /nfs/dbraw/zinc/25/10/83/572251083.db2.gz AFAPWBIWNXPCQJ-HHHXNRCGSA-N 0 0 518.639 6.280 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564906 572251290 /nfs/dbraw/zinc/25/12/90/572251290.db2.gz ASDYPOUIOXYGAF-DEOSSOPVSA-N 0 0 603.926 7.079 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565021 572251410 /nfs/dbraw/zinc/25/14/10/572251410.db2.gz AZGGPTPIENEYMM-JOCHJYFZSA-N 0 0 567.857 7.364 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000408565010 572251467 /nfs/dbraw/zinc/25/14/67/572251467.db2.gz AYNGYOLZPLKEOI-RUZDIDTESA-N 0 0 617.497 6.574 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408564973 572251490 /nfs/dbraw/zinc/25/14/90/572251490.db2.gz AVIJQQPDFFCQFT-XMMPIXPASA-N 0 0 585.480 6.045 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408564996 572251509 /nfs/dbraw/zinc/25/15/09/572251509.db2.gz AXWACIVLHHTIGJ-VWLOTQADSA-N 0 0 587.471 6.565 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000408564966 572251531 /nfs/dbraw/zinc/25/15/31/572251531.db2.gz AUPYDTVEMUGWTD-QHCPKHFHSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408565052 572251539 /nfs/dbraw/zinc/25/15/39/572251539.db2.gz BBSDPSAAUBCATO-VWLOTQADSA-N 0 0 614.478 6.334 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccccc1 ZINC000408565080 572251724 /nfs/dbraw/zinc/25/17/24/572251724.db2.gz BDILIGBLVSTAHV-HSZRJFAPSA-N 0 0 525.428 6.027 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408565116 572251744 /nfs/dbraw/zinc/25/17/44/572251744.db2.gz BFMNSMKAYZEWOQ-RUZDIDTESA-N 0 0 633.952 7.088 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)c(C)c1 ZINC000408565127 572251778 /nfs/dbraw/zinc/25/17/78/572251778.db2.gz BGWVBYRVPUWKDS-VWLOTQADSA-N 0 0 598.479 6.552 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408565249 572252005 /nfs/dbraw/zinc/25/20/05/572252005.db2.gz BLIVSPJFJIXXGY-AREMUKBSSA-N 0 0 597.535 7.043 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000408565231 572252013 /nfs/dbraw/zinc/25/20/13/572252013.db2.gz BKJLOSGLANHJNF-HSZRJFAPSA-N 0 0 588.415 6.075 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408565336 572252420 /nfs/dbraw/zinc/25/24/20/572252420.db2.gz BSBYYGATLHFZJS-XMMPIXPASA-N 0 0 584.452 6.244 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565326 572252461 /nfs/dbraw/zinc/25/24/61/572252461.db2.gz JXAPSVIIHRHSQO-KBKXWFDOSA-N 0 0 558.432 5.703 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408565461 572252599 /nfs/dbraw/zinc/25/25/99/572252599.db2.gz BZPJKTPSMNSKCA-SANMLTNESA-N 0 0 539.057 6.544 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565426 572252681 /nfs/dbraw/zinc/25/26/81/572252681.db2.gz KQFOKNTZAAFJTR-XABOBXATSA-N 0 0 598.881 5.745 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1cccc(C)c1 ZINC000408565521 572252753 /nfs/dbraw/zinc/25/27/53/572252753.db2.gz CDXFLHUYZKKGRD-DEOSSOPVSA-N 0 0 608.345 7.643 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565525 572252855 /nfs/dbraw/zinc/25/28/55/572252855.db2.gz CDXUFBZEBNBOOD-XMMPIXPASA-N 0 0 561.010 6.595 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1cccc(C)c1 ZINC000408565651 572252875 /nfs/dbraw/zinc/25/28/75/572252875.db2.gz CQZFIBLWBBJIFB-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565657 572252918 /nfs/dbraw/zinc/25/29/18/572252918.db2.gz CRHJXRLLRJETSC-RUZDIDTESA-N 0 0 571.472 6.783 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565609 572252962 /nfs/dbraw/zinc/25/29/62/572252962.db2.gz LNEGAFYGSOXHAB-IYKJZBSOSA-N 0 0 566.452 5.257 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408565719 572253031 /nfs/dbraw/zinc/25/30/31/572253031.db2.gz CWNLGSAXTOSEPW-XMMPIXPASA-N 0 0 573.444 6.175 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OCC)c(OCC)cc2Br)cc1 ZINC000408565733 572253071 /nfs/dbraw/zinc/25/30/71/572253071.db2.gz CYFWTWFBWOFLFR-JOCHJYFZSA-N 0 0 551.463 5.644 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 ZINC000408565939 572253187 /nfs/dbraw/zinc/25/31/87/572253187.db2.gz DIKJXGSZOZHNBQ-SANMLTNESA-N 0 0 682.424 8.132 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000408565762 572253188 /nfs/dbraw/zinc/25/31/88/572253188.db2.gz DBCRONRPBOSPOX-SANMLTNESA-N 0 0 539.057 6.544 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408566057 572253291 /nfs/dbraw/zinc/25/32/91/572253291.db2.gz DRTRVVGUAMOFER-HXUWFJFHSA-N 0 0 560.242 6.689 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408566027 572253309 /nfs/dbraw/zinc/25/33/09/572253309.db2.gz DPFVTJPQGPCTBT-RUZDIDTESA-N 0 0 525.030 6.235 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(C)c(C)c1 ZINC000408565970 572253321 /nfs/dbraw/zinc/25/33/21/572253321.db2.gz DLFZIIICGZWLTI-RUZDIDTESA-N 0 0 598.479 6.552 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408566100 572253488 /nfs/dbraw/zinc/25/34/88/572253488.db2.gz DWJSCQORBNDHFL-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408566098 572253509 /nfs/dbraw/zinc/25/35/09/572253509.db2.gz DWFAMZLLGBNDLL-VWLOTQADSA-N 0 0 593.920 7.624 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408566331 572253586 /nfs/dbraw/zinc/25/35/86/572253586.db2.gz FIULLBUQYHCAAU-XMMPIXPASA-N 0 0 603.926 6.998 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1 ZINC000408566290 572253636 /nfs/dbraw/zinc/25/36/36/572253636.db2.gz FFWQWIGWDFYVLT-RUZDIDTESA-N 0 0 571.472 6.783 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566608 572253884 /nfs/dbraw/zinc/25/38/84/572253884.db2.gz FTARANYDIBVMEY-DEOSSOPVSA-N 0 0 570.027 6.143 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000408567068 572254043 /nfs/dbraw/zinc/25/40/43/572254043.db2.gz GGKOPYWAQLENCD-XMMPIXPASA-N 0 0 543.020 6.456 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566819 572254064 /nfs/dbraw/zinc/25/40/64/572254064.db2.gz OYWXSGZYCTZSON-YTXOVJPBSA-N 0 0 614.496 6.244 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408567173 572254211 /nfs/dbraw/zinc/25/42/11/572254211.db2.gz GQWPYXJTCFKPHB-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567188 572254313 /nfs/dbraw/zinc/25/43/13/572254313.db2.gz QFSSJCVREVNINJ-OCAOGGMISA-N 0 0 647.353 6.788 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408567209 572254316 /nfs/dbraw/zinc/25/43/16/572254316.db2.gz GSSSYBKEDLKTFA-QHCPKHFHSA-N 0 0 628.763 7.988 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567244 572254353 /nfs/dbraw/zinc/25/43/53/572254353.db2.gz QNFPHUBHZDBAOU-CIHKJSBTSA-N 0 0 528.392 5.103 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567745 572254394 /nfs/dbraw/zinc/25/43/94/572254394.db2.gz REOKDBYHPCJROB-DTNWAODDSA-N 0 0 607.288 5.865 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC ZINC000408567678 572254408 /nfs/dbraw/zinc/25/44/08/572254408.db2.gz HCMNNVBOPRQEGO-LJQANCHMSA-N 0 0 507.410 5.082 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408567726 572254484 /nfs/dbraw/zinc/25/44/84/572254484.db2.gz HGHLZPMTTTUHLP-XMMPIXPASA-N 0 0 528.993 6.066 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567757 572254511 /nfs/dbraw/zinc/25/45/11/572254511.db2.gz REOKDBYHPCJROB-YIOXSFGVSA-N 0 0 607.288 5.865 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567804 572254513 /nfs/dbraw/zinc/25/45/13/572254513.db2.gz RJQDBXVIJFBWEO-KBKXWFDOSA-N 0 0 558.432 5.703 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000408567801 572254577 /nfs/dbraw/zinc/25/45/77/572254577.db2.gz HLKAMWSXPAWLTN-AREMUKBSSA-N 0 0 692.430 7.587 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567807 572254606 /nfs/dbraw/zinc/25/46/06/572254606.db2.gz RJQDBXVIJFBWEO-RVBRUHEGSA-N 0 0 558.432 5.703 40 5 KKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567805 572254614 /nfs/dbraw/zinc/25/46/14/572254614.db2.gz HLMFBTBSVYEVCT-IBGZPJMESA-N 0 0 520.210 7.225 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568076 572254681 /nfs/dbraw/zinc/25/46/81/572254681.db2.gz HOMOSEZFKPDBLY-DEOSSOPVSA-N 0 0 648.377 7.107 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000408568219 572254816 /nfs/dbraw/zinc/25/48/16/572254816.db2.gz HXSKMVAWHBPVIT-XMMPIXPASA-N 0 0 603.926 7.079 40 5 KKBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568176 572254829 /nfs/dbraw/zinc/25/48/29/572254829.db2.gz SGRMJSHLZLWWEK-DVKBMCPXSA-N 0 0 542.817 5.203 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 ZINC000408568218 572254883 /nfs/dbraw/zinc/25/48/83/572254883.db2.gz SMPCYRLBHZXDKQ-AWTIUKJOSA-N 0 0 552.400 5.222 40 5 KKBBRN Cc1ccc(COc2c(Cl)cc([C@H]3C([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568404 572255044 /nfs/dbraw/zinc/25/50/44/572255044.db2.gz UHEFEKKQDLUNOE-PAXQOXJBSA-N 0 0 538.431 5.935 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@H]1CCCN12 ZINC000408568441 572255078 /nfs/dbraw/zinc/25/50/78/572255078.db2.gz ULMQALLGCCRQCF-PLPKJQRDSA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408568579 572255090 /nfs/dbraw/zinc/25/50/90/572255090.db2.gz IAXVISXNDAUONE-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 ZINC000408568692 572255198 /nfs/dbraw/zinc/25/51/98/572255198.db2.gz IIQJLOBFUDGWOR-SANMLTNESA-N 0 0 504.612 5.890 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568882 572255322 /nfs/dbraw/zinc/25/53/22/572255322.db2.gz VCTDNYRZUARHSV-YUHKXCSQSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000408569127 572255448 /nfs/dbraw/zinc/25/54/48/572255448.db2.gz IXMKVZCTIFKCJJ-NDEPHWFRSA-N 0 0 526.618 6.427 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc21 ZINC000408569100 572255497 /nfs/dbraw/zinc/25/54/97/572255497.db2.gz IVADRJQPVRLOPK-GDLZYMKVSA-N 0 0 558.635 6.956 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569372 572255559 /nfs/dbraw/zinc/25/55/59/572255559.db2.gz WAMXTKBVJLBQHR-YUHKXCSQSA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408569208 572255667 /nfs/dbraw/zinc/25/56/67/572255667.db2.gz JCKAWDOCHWLJGZ-XMMPIXPASA-N 0 0 638.371 7.733 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCC ZINC000408569192 572255673 /nfs/dbraw/zinc/25/56/73/572255673.db2.gz JBJVCQWLSMOHET-LJQANCHMSA-N 0 0 541.855 5.899 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408569484 572255696 /nfs/dbraw/zinc/25/56/96/572255696.db2.gz JEKAXHZNVXSRTD-DEOSSOPVSA-N 0 0 573.900 6.989 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408569490 572255721 /nfs/dbraw/zinc/25/57/21/572255721.db2.gz JGROSCLAXSFNLK-RUZDIDTESA-N 0 0 617.953 7.388 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569424 572255762 /nfs/dbraw/zinc/25/57/62/572255762.db2.gz WSKZHHJKSHZXPQ-UIOOVKKBSA-N 0 0 588.458 5.712 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408569627 572255817 /nfs/dbraw/zinc/25/58/17/572255817.db2.gz JXNFVCGSHBKJTL-VWLOTQADSA-N 0 0 557.047 6.683 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccccc1 ZINC000408569614 572255844 /nfs/dbraw/zinc/25/58/44/572255844.db2.gz JVUUTBGRPWCBGO-QHCPKHFHSA-N 0 0 525.428 6.027 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@H]1CCCN12 ZINC000408569641 572255899 /nfs/dbraw/zinc/25/58/99/572255899.db2.gz WUSXEOSFZLJTND-AWTIUKJOSA-N 0 0 603.300 6.389 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569703 572255909 /nfs/dbraw/zinc/25/59/09/572255909.db2.gz XBHZZJDLEQBYCL-ZNCVFPSASA-N 0 0 572.843 5.212 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408569906 572256030 /nfs/dbraw/zinc/25/60/30/572256030.db2.gz KFWVKIYZJZNDOV-RUZDIDTESA-N 0 0 601.498 6.874 40 5 KKBBRN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569709 572256051 /nfs/dbraw/zinc/25/60/51/572256051.db2.gz XCPBFVVEUNZNFH-WSNNEZGNSA-N 0 0 532.811 5.748 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570041 572256196 /nfs/dbraw/zinc/25/61/96/572256196.db2.gz YFJGEKLSQGOTNF-CIHKJSBTSA-N 0 0 572.843 5.212 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)c(Br)cc1OC ZINC000408570263 572256297 /nfs/dbraw/zinc/25/62/97/572256297.db2.gz KPOZNNVVMJDVQR-HXUWFJFHSA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000408570361 572256415 /nfs/dbraw/zinc/25/64/15/572256415.db2.gz LDIWFYLEPHECFE-HHHXNRCGSA-N 0 0 552.628 6.201 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408570676 572256471 /nfs/dbraw/zinc/25/64/71/572256471.db2.gz LVSZSQXAXNVHDX-RUZDIDTESA-N 0 0 535.582 5.572 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408570671 572256502 /nfs/dbraw/zinc/25/65/02/572256502.db2.gz LVATXCIMACACTJ-VWLOTQADSA-N 0 0 573.046 6.465 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000408570701 572256518 /nfs/dbraw/zinc/25/65/18/572256518.db2.gz LXJIGVNCBHAPEK-HHHXNRCGSA-N 0 0 552.628 6.201 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC ZINC000408570989 572256741 /nfs/dbraw/zinc/25/67/41/572256741.db2.gz MOWLPWSONUWSBV-QGZVFWFLSA-N 0 0 513.801 5.119 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000408570609 572256524 /nfs/dbraw/zinc/25/65/24/572256524.db2.gz LNMURRPDLSYWEH-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408570600 572256540 /nfs/dbraw/zinc/25/65/40/572256540.db2.gz LMXKPQSDFVONAU-VWLOTQADSA-N 0 0 599.507 6.353 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408570897 572256628 /nfs/dbraw/zinc/25/66/28/572256628.db2.gz MGHWFRKIROJORM-FQEVSTJZSA-N 0 0 507.410 5.164 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F ZINC000408570995 572256713 /nfs/dbraw/zinc/25/67/13/572256713.db2.gz MQTKRKYICQDGKO-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408570968 572256715 /nfs/dbraw/zinc/25/67/15/572256715.db2.gz MMPMIIKRHDXJBL-VWLOTQADSA-N 0 0 554.028 6.443 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408571018 572256743 /nfs/dbraw/zinc/25/67/43/572256743.db2.gz MTVUCKWOKQQSSS-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408571096 572256810 /nfs/dbraw/zinc/25/68/10/572256810.db2.gz NMQMULBPLUQIGX-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408571120 572256835 /nfs/dbraw/zinc/25/68/35/572256835.db2.gz NRSGAMUBLPQNPL-HSZRJFAPSA-N 0 0 549.867 7.225 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571113 572256841 /nfs/dbraw/zinc/25/68/41/572256841.db2.gz NRFIQAPUVOSUBM-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000408571190 572256937 /nfs/dbraw/zinc/25/69/37/572256937.db2.gz OCJIINSWZDJWDD-QHCPKHFHSA-N 0 0 588.415 6.075 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408571173 572256943 /nfs/dbraw/zinc/25/69/43/572256943.db2.gz NZORRNMEGPGJLR-DEOSSOPVSA-N 0 0 621.916 7.219 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408571285 572256945 /nfs/dbraw/zinc/25/69/45/572256945.db2.gz OGLRXIUVTXCVON-DEOSSOPVSA-N 0 0 593.920 7.624 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000408571185 572256958 /nfs/dbraw/zinc/25/69/58/572256958.db2.gz OBXOWTJZWOIDAF-AREMUKBSSA-N 0 0 583.508 6.734 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408571368 572257061 /nfs/dbraw/zinc/25/70/61/572257061.db2.gz ONBZJABRSUHIAJ-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408571388 572257065 /nfs/dbraw/zinc/25/70/65/572257065.db2.gz OPADLYQURVQASX-VWLOTQADSA-N 0 0 633.952 7.088 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408571376 572257072 /nfs/dbraw/zinc/25/70/72/572257072.db2.gz ONWMOYYEISESQZ-VWLOTQADSA-N 0 0 569.481 6.344 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571362 572257079 /nfs/dbraw/zinc/25/70/79/572257079.db2.gz OMXMFGSXRXQFJB-QHCPKHFHSA-N 0 0 516.957 6.196 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408571538 572257181 /nfs/dbraw/zinc/25/71/81/572257181.db2.gz OWJWHWJDWGSCEL-RUZDIDTESA-N 0 0 598.479 6.552 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000408571664 572257232 /nfs/dbraw/zinc/25/72/32/572257232.db2.gz PLPGVQYXZKJVGV-AREMUKBSSA-N 0 0 583.508 6.734 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408571655 572257286 /nfs/dbraw/zinc/25/72/86/572257286.db2.gz PKHDKXXOLKIXRI-DEOSSOPVSA-N 0 0 529.449 6.880 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571833 572257326 /nfs/dbraw/zinc/25/73/26/572257326.db2.gz PQWZFOZHOXEADV-RUZDIDTESA-N 0 0 559.475 6.889 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000408571863 572257327 /nfs/dbraw/zinc/25/73/27/572257327.db2.gz PSQIHQMMFNSVCU-SANMLTNESA-N 0 0 583.508 6.653 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000408572212 572257673 /nfs/dbraw/zinc/25/76/73/572257673.db2.gz QVKIETVXOFODFO-XMMPIXPASA-N 0 0 619.925 6.698 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408572318 572257706 /nfs/dbraw/zinc/25/77/06/572257706.db2.gz QWJAQJWADLAUOG-VWLOTQADSA-N 0 0 524.574 5.421 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572376 572257831 /nfs/dbraw/zinc/25/78/31/572257831.db2.gz QZMCDGQYXUVJGL-XMMPIXPASA-N 0 0 561.466 7.328 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408572491 572257860 /nfs/dbraw/zinc/25/78/60/572257860.db2.gz RIFUBUCMJFENMI-DEOSSOPVSA-N 0 0 570.027 6.143 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408572721 572257975 /nfs/dbraw/zinc/25/79/75/572257975.db2.gz RWRPMYSGHQOPMQ-VWLOTQADSA-N 0 0 652.398 8.041 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408573049 572258471 /nfs/dbraw/zinc/25/84/71/572258471.db2.gz SHBUSIJMGDWCFA-AREMUKBSSA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 ZINC000408572981 572258497 /nfs/dbraw/zinc/25/84/97/572258497.db2.gz RZYDXZPWKZCNRJ-VWLOTQADSA-N 0 0 644.504 6.343 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000408573068 572258639 /nfs/dbraw/zinc/25/86/39/572258639.db2.gz SIGUYYUCKBQMEU-QHCPKHFHSA-N 0 0 559.873 6.681 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408573108 572258641 /nfs/dbraw/zinc/25/86/41/572258641.db2.gz SMNQYTMSCDVZMR-VWLOTQADSA-N 0 0 543.020 6.456 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408573470 572258802 /nfs/dbraw/zinc/25/88/02/572258802.db2.gz SYQCTJCDYFDCKX-SANMLTNESA-N 0 0 589.501 6.979 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000408573441 572258833 /nfs/dbraw/zinc/25/88/33/572258833.db2.gz SWHGFALQJZEONO-DEOSSOPVSA-N 0 0 569.481 6.426 40 5 KKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408573556 572258947 /nfs/dbraw/zinc/25/89/47/572258947.db2.gz TVIYSPSAGJTPIA-DEOSSOPVSA-N 0 0 501.380 7.071 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408573604 572258980 /nfs/dbraw/zinc/25/89/80/572258980.db2.gz TYEAXLLLTJBWAR-PMERELPUSA-N 0 0 554.672 7.125 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408573621 572259014 /nfs/dbraw/zinc/25/90/14/572259014.db2.gz TYJUIWOAJWRPTD-MHZLTWQESA-N 0 0 609.933 7.834 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408573658 572259103 /nfs/dbraw/zinc/25/91/03/572259103.db2.gz UAGSTMHWPSUAGZ-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408574006 572259235 /nfs/dbraw/zinc/25/92/35/572259235.db2.gz UJKVFJHGWHCKDJ-XMMPIXPASA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408573995 572259273 /nfs/dbraw/zinc/25/92/73/572259273.db2.gz UIXIMMNVTBIVNX-SANMLTNESA-N 0 0 597.535 7.043 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408574436 572259608 /nfs/dbraw/zinc/25/96/08/572259608.db2.gz UUXUSRKFODUGSE-VWLOTQADSA-N 0 0 617.953 7.388 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000408574432 572259612 /nfs/dbraw/zinc/25/96/12/572259612.db2.gz UUQKOWAQVVHSID-QHCPKHFHSA-N 0 0 528.993 6.066 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 ZINC000408575059 572260158 /nfs/dbraw/zinc/26/01/58/572260158.db2.gz VUVOUAHRJULMHH-VWLOTQADSA-N 0 0 614.478 6.334 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000408575077 572260192 /nfs/dbraw/zinc/26/01/92/572260192.db2.gz VYKGXVTVWKUKBF-XMMPIXPASA-N 0 0 569.481 6.344 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408575459 572260519 /nfs/dbraw/zinc/26/05/19/572260519.db2.gz WIFMQXYCCSDBDO-VWLOTQADSA-N 0 0 603.926 7.079 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408575977 572260976 /nfs/dbraw/zinc/26/09/76/572260976.db2.gz XCHIEXGVBBKNNW-VWLOTQADSA-N 0 0 527.021 6.674 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408576004 572260986 /nfs/dbraw/zinc/26/09/86/572260986.db2.gz XDTWMKSMXNHCLO-XMMPIXPASA-N 0 0 545.448 6.580 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408576508 572261253 /nfs/dbraw/zinc/26/12/53/572261253.db2.gz XNNYSQKNBAKPGS-QHCPKHFHSA-N 0 0 579.893 7.234 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000408576498 572261277 /nfs/dbraw/zinc/26/12/77/572261277.db2.gz XNDYLXIOYOOZJB-PMERELPUSA-N 0 0 554.672 7.043 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccccc1 ZINC000408576515 572261306 /nfs/dbraw/zinc/26/13/06/572261306.db2.gz XOCNWOROXYRUDP-HHHXNRCGSA-N 0 0 575.488 7.181 40 5 KKBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408576643 572261323 /nfs/dbraw/zinc/26/13/23/572261323.db2.gz XXYVOVNLFUDYBA-GOSISDBHSA-N 0 0 527.828 5.509 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408576589 572261349 /nfs/dbraw/zinc/26/13/49/572261349.db2.gz XTLPRAAWBIIZFP-DEOSSOPVSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408577047 572261688 /nfs/dbraw/zinc/26/16/88/572261688.db2.gz YMTMCCGCABGIMW-HXUWFJFHSA-N 0 0 525.400 5.385 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccccc1 ZINC000408577361 572261899 /nfs/dbraw/zinc/26/18/99/572261899.db2.gz ZAYBCHSHQNYVNO-QHCPKHFHSA-N 0 0 543.418 6.166 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 ZINC000408577404 572261937 /nfs/dbraw/zinc/26/19/37/572261937.db2.gz ZHMOCQCRQGGLID-AREMUKBSSA-N 0 0 613.534 6.825 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408577450 572261954 /nfs/dbraw/zinc/26/19/54/572261954.db2.gz ZNMXAOCSGRWLIX-QHCPKHFHSA-N 0 0 547.439 7.019 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000408577437 572261963 /nfs/dbraw/zinc/26/19/63/572261963.db2.gz ZMPQQWGQNIYCBM-DEOSSOPVSA-N 0 0 605.461 6.704 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408577501 572262024 /nfs/dbraw/zinc/26/20/24/572262024.db2.gz ZQVFPPDGVMVCKW-XMMPIXPASA-N 0 0 638.371 7.651 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c(Br)cc1OC ZINC000408577461 572262059 /nfs/dbraw/zinc/26/20/59/572262059.db2.gz ZNTIGSBNTAEKBS-LJQANCHMSA-N 0 0 527.828 5.509 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 ZINC000408577768 572262361 /nfs/dbraw/zinc/26/23/61/572262361.db2.gz ZUHPRVARIMENPD-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577806 572262403 /nfs/dbraw/zinc/26/24/03/572262403.db2.gz ZZFPNJCIQVIXBX-XMMPIXPASA-N 0 0 614.478 6.253 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408577803 572262417 /nfs/dbraw/zinc/26/24/17/572262417.db2.gz ZYSFHTLANSFOGH-AREMUKBSSA-N 0 0 571.074 7.073 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408577804 572262424 /nfs/dbraw/zinc/26/24/24/572262424.db2.gz ZYSFHTLANSFOGH-SANMLTNESA-N 0 0 571.074 7.073 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccccc1 ZINC000408577815 572262433 /nfs/dbraw/zinc/26/24/33/572262433.db2.gz ZZWMBMSIMIVYTI-HSZRJFAPSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000408585742 572266083 /nfs/dbraw/zinc/26/60/83/572266083.db2.gz HVRHVJVOYCQKRQ-UHFFFAOYSA-N 0 0 552.834 5.149 40 5 KKBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(C(F)(F)F)c1 ZINC000408591393 572268250 /nfs/dbraw/zinc/26/82/50/572268250.db2.gz LXTIJBDJGMJZTO-UHFFFAOYSA-N 0 0 537.516 5.073 40 5 KKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408604093 572273904 /nfs/dbraw/zinc/27/39/04/572273904.db2.gz DIENZTMHAKSSEY-UHFFFAOYSA-N 0 0 505.251 7.473 40 5 KKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408605681 572274524 /nfs/dbraw/zinc/27/45/24/572274524.db2.gz GKHVEEOHJOMYAM-UHFFFAOYSA-N 0 0 542.264 6.697 40 5 KKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000408607804 572275282 /nfs/dbraw/zinc/27/52/82/572275282.db2.gz UXJDZZJXUHOPKA-VZUCSPMQSA-N 0 0 549.321 5.082 40 5 KKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1c(C)cc(I)cc1C ZINC000408608979 572275666 /nfs/dbraw/zinc/27/56/66/572275666.db2.gz XYQREOPGCBRJCV-SOFGYWHQSA-N 0 0 563.348 5.309 40 5 KKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408610191 572275999 /nfs/dbraw/zinc/27/59/99/572275999.db2.gz OETDJFCDLQCXRQ-UHFFFAOYSA-N 0 0 545.739 7.751 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408613614 572277330 /nfs/dbraw/zinc/27/73/30/572277330.db2.gz YUEFWYXXPWCVFW-UHFFFAOYSA-N 0 0 511.840 6.978 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408627653 572284486 /nfs/dbraw/zinc/28/44/86/572284486.db2.gz OFNDWBCBQUOHHQ-UHFFFAOYSA-N 0 0 557.934 5.418 40 5 KKBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408636764 572293627 /nfs/dbraw/zinc/29/36/27/572293627.db2.gz BVFKHNPLTYIDKM-NRFANRHFSA-N 0 0 510.502 5.319 40 5 KKBBRN CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 ZINC000408637692 572294507 /nfs/dbraw/zinc/29/45/07/572294507.db2.gz NBFFHQIJOVFZMI-XMMPIXPASA-N 0 0 608.647 7.256 40 5 KKBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408638038 572294796 /nfs/dbraw/zinc/29/47/96/572294796.db2.gz BOJITOKUFAGGSA-DNQXCXABSA-N 0 0 636.444 5.702 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(F)cc1 ZINC000408638126 572294856 /nfs/dbraw/zinc/29/48/56/572294856.db2.gz BYKGYORBPNQSSS-UHFFFAOYSA-N 0 0 762.962 6.320 40 5 KKBBRN 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COc1ccc(N2C(=O)c3ccc4c5ccc6c7c5c(c5c4c3C(=CC5)C2=O)C=C[C@H]7C(=O)N(c2ccc(OC)cc2)C6=O)cc1 ZINC000100053377 1069695464 /nfs/dbraw/zinc/69/54/64/1069695464.db2.gz BIFLOXJWLXANKQ-MUUNZHRXSA-N 0 0 604.618 6.434 40 5 KKBBRN O=c1c2cc(I)ccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 ZINC000104806386 1069714727 /nfs/dbraw/zinc/71/47/27/1069714727.db2.gz BIIBVTYYDPYKMR-OVCLIPMQSA-N 0 0 545.336 6.222 40 5 KKBBRN CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1OCC ZINC000408710484 1069727374 /nfs/dbraw/zinc/72/73/74/1069727374.db2.gz TYFPPXZSCWZOQU-UHFFFAOYSA-N 0 0 533.566 5.415 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 ZINC000409090877 1069776287 /nfs/dbraw/zinc/77/62/87/1069776287.db2.gz QZZTXXQROHHHTB-PYCBVSLESA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409090466 1069776311 /nfs/dbraw/zinc/77/63/11/1069776311.db2.gz QUJVIRJPECSHAL-FQWZWQHVSA-N 0 0 686.171 5.447 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409123615 1069779970 /nfs/dbraw/zinc/77/99/70/1069779970.db2.gz HQTNVDUDBTZDBB-LPYMAVHISA-N 0 0 608.454 6.404 40 5 KKBBRN CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000409139419 1069789131 /nfs/dbraw/zinc/78/91/31/1069789131.db2.gz AGUMKJKENJSTNI-PSXMRANNSA-N 0 0 634.132 8.587 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409082054 1069846612 /nfs/dbraw/zinc/84/66/12/1069846612.db2.gz LPHRVKIKRNEPAD-KMBIYUNPSA-N 0 0 807.404 5.495 40 5 KKBBRN O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000408767028 1069869197 /nfs/dbraw/zinc/86/91/97/1069869197.db2.gz HWBVVQINLYORBE-VEPRTGNQSA-N 0 0 688.834 8.413 40 5 KKBBRN O=c1/c(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408771240 1069870776 /nfs/dbraw/zinc/87/07/76/1069870776.db2.gz GFTMWUQPIONOBY-QHCWNQLDSA-N 0 0 640.548 7.113 40 5 KKBBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000408771094 1069871126 /nfs/dbraw/zinc/87/11/26/1069871126.db2.gz DDMDGLMHKSIXSL-NBQDTTAVSA-N 0 0 591.645 5.504 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408778469 1069897536 /nfs/dbraw/zinc/89/75/36/1069897536.db2.gz UXHNMGVJGFOQPW-IZBTWGKQSA-N 0 0 719.433 5.872 40 5 KKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408780254 1069902836 /nfs/dbraw/zinc/90/28/36/1069902836.db2.gz ACQCYWSAHZSSTL-AOLPSBPOSA-N 0 0 666.335 6.703 40 5 KKBBRN O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408782638 1069907589 /nfs/dbraw/zinc/90/75/89/1069907589.db2.gz XYLDXXZOFIJONR-OCDQFKQQSA-N 0 0 647.625 5.836 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408804321 1069950058 /nfs/dbraw/zinc/95/00/58/1069950058.db2.gz XNOPJLUPJNMROM-WGJPBTIMSA-N 0 0 670.118 6.215 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823223 1069986812 /nfs/dbraw/zinc/98/68/12/1069986812.db2.gz NGDHARIPLPJJBS-MFCBUNOESA-N 0 0 682.980 6.010 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408826221 1070002890 /nfs/dbraw/zinc/00/28/90/1070002890.db2.gz KYZSVBWWCXSTFL-FUFNRSNVSA-N 0 0 696.551 5.586 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408827608 1070007058 /nfs/dbraw/zinc/00/70/58/1070007058.db2.gz LMJIXZMASYRGLI-PKYOQBLNSA-N 0 0 739.588 5.597 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408827996 1070008335 /nfs/dbraw/zinc/00/83/35/1070008335.db2.gz IHHIAMIUIFAREZ-FUFNRSNVSA-N 0 0 598.587 5.320 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408825646 1070013820 /nfs/dbraw/zinc/01/38/20/1070013820.db2.gz BHCVUZAYXXVNKF-ZYDFGXJWSA-N 0 0 791.813 7.551 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408828619 1070014155 /nfs/dbraw/zinc/01/41/55/1070014155.db2.gz NGRWUBRDWINLCP-KEPJHFNWSA-N 0 0 727.033 6.489 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836726 1070028333 /nfs/dbraw/zinc/02/83/33/1070028333.db2.gz USLLRQCMDBPNQG-ZGOFBEGVSA-N 0 0 648.535 5.356 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408833252 1070030191 /nfs/dbraw/zinc/03/01/91/1070030191.db2.gz SNDBTEGPEAMBDD-KLKBWYFJSA-N 0 0 667.593 5.810 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408839949 1070042143 /nfs/dbraw/zinc/04/21/43/1070042143.db2.gz DMNFAAZBHTVFRF-UAMLYEQYSA-N 0 0 579.609 5.635 40 5 KKBBRN O=c1/c(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408840796 1070043481 /nfs/dbraw/zinc/04/34/81/1070043481.db2.gz GABDCZLGGLYIKF-ZMTYCLHQSA-N 0 0 763.895 7.984 40 5 KKBBRN CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl ZINC000408838154 1070047625 /nfs/dbraw/zinc/04/76/25/1070047625.db2.gz CMNBKVLWAUJKOA-YBFXNURJSA-N 0 0 653.521 8.602 40 5 KKBBRN O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408843748 1070049053 /nfs/dbraw/zinc/04/90/53/1070049053.db2.gz SAEOKLXKEOPUIP-LXKZMGPHSA-N 0 0 653.691 6.738 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408845029 1070051519 /nfs/dbraw/zinc/05/15/19/1070051519.db2.gz XPUULXMZIJIZMX-PNZYDNNZSA-N 0 0 799.949 6.095 40 5 KKBBRN O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408846040 1070053110 /nfs/dbraw/zinc/05/31/10/1070053110.db2.gz XHBTZPFCQZPDBJ-KOHOJCOXSA-N 0 0 695.551 6.477 40 5 KKBBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000408868905 1070090319 /nfs/dbraw/zinc/09/03/19/1070090319.db2.gz PWBSZFKYFAWQJA-VROXFSQNSA-N 0 0 696.454 6.647 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408873073 1070098764 /nfs/dbraw/zinc/09/87/64/1070098764.db2.gz MOMFXIMHCJPQIO-UUYOSTAYSA-N 0 0 545.400 6.726 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408909956 1070199600 /nfs/dbraw/zinc/19/96/00/1070199600.db2.gz HXFNVPHIXUEIJB-HNVAQCFTSA-N 0 0 866.528 7.189 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408914462 1070213732 /nfs/dbraw/zinc/21/37/32/1070213732.db2.gz NZBZNUMOKZCSQQ-SFKHYTNKSA-N 0 0 875.504 6.694 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408916548 1070220491 /nfs/dbraw/zinc/22/04/91/1070220491.db2.gz FCZQZJJPJJKTHO-WYMPLXKRSA-N 0 0 569.433 6.490 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408928533 1070251934 /nfs/dbraw/zinc/25/19/34/1070251934.db2.gz BIEFKKSWTMBFRL-SRZZPIQSSA-N 0 0 617.250 5.800 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408929927 1070258546 /nfs/dbraw/zinc/25/85/46/1070258546.db2.gz PSSXWBZCLQHGBF-AFUMVMLFSA-N 0 0 640.512 6.627 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408940164 1070284777 /nfs/dbraw/zinc/28/47/77/1070284777.db2.gz OEOITRBOZOXDBC-YVBHXKDBSA-N 0 0 644.662 5.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944214 1070296144 /nfs/dbraw/zinc/29/61/44/1070296144.db2.gz UOGKIDKSKXZDMC-FJNIOPPGSA-N 0 0 722.614 5.844 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccc([N+](=O)[O-])cc5)cc4Br)c(=O)n32)cc1OCC ZINC000408943803 1070305006 /nfs/dbraw/zinc/30/50/06/1070305006.db2.gz MEKACQSSTFJRAO-FZGKPRDBSA-N 0 0 724.586 5.074 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000408948589 1070313501 /nfs/dbraw/zinc/31/35/01/1070313501.db2.gz KSYMSPXURIQZTP-ORVZPOCUSA-N 0 0 652.523 5.435 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946929 1070310070 /nfs/dbraw/zinc/31/00/70/1070310070.db2.gz ZOMLLABXECPHGC-SZYVSPPHSA-N 0 0 682.582 6.380 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408953438 1070316370 /nfs/dbraw/zinc/31/63/70/1070316370.db2.gz WJLQZXQNQDRZJD-GTGQMDHASA-N 0 0 769.583 5.585 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408951701 1070320579 /nfs/dbraw/zinc/32/05/79/1070320579.db2.gz UWBSJFRXURYQOQ-IBGAUWDRSA-N 0 0 634.881 5.545 40 5 KKBBRN O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2sc3c(c21)CCCCCC3 ZINC000408987534 1070349958 /nfs/dbraw/zinc/34/99/58/1070349958.db2.gz FPIFLTCFHUVSCS-UHFFFAOYSA-N 0 0 500.374 6.654 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc6sc7c(c6c(=O)[nH]5)CCCCC7)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987950 1070350960 /nfs/dbraw/zinc/35/09/60/1070350960.db2.gz CCLLENPHVIFHIX-UHFFFAOYSA-N 0 0 639.784 8.563 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408983770 1070352002 /nfs/dbraw/zinc/35/20/02/1070352002.db2.gz HQPLQYANIUIKDA-PLNPHXOGSA-N 0 0 652.128 6.076 40 5 KKBBRN COCCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O ZINC000409001885 1070378058 /nfs/dbraw/zinc/37/80/58/1070378058.db2.gz XJNARCBEXXTRJM-UHFFFAOYSA-N 0 0 512.360 5.503 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409019501 1070403078 /nfs/dbraw/zinc/40/30/78/1070403078.db2.gz ZKOCXNWQPOEEBE-YZSQISJMSA-N 0 0 637.512 5.321 40 5 KKBBRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409028414 1070405289 /nfs/dbraw/zinc/40/52/89/1070405289.db2.gz NPFTXPMJLCEUGY-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N1 ZINC000409032179 1070419161 /nfs/dbraw/zinc/41/91/61/1070419161.db2.gz LEVICGMGSRKKIM-QTTRZTASSA-N 0 0 608.072 5.409 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409034148 1070425296 /nfs/dbraw/zinc/42/52/96/1070425296.db2.gz GWQUDLQMIBOHCI-GVMLUORFSA-N 0 0 668.953 5.701 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040043 1070441556 /nfs/dbraw/zinc/44/15/56/1070441556.db2.gz XMLOVKSAXFNCPQ-OKMHPQNISA-N 0 0 708.189 5.743 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)sc2=N1 ZINC000409036728 1070438470 /nfs/dbraw/zinc/43/84/70/1070438470.db2.gz LVKAXUZEZHDRFW-LCQSEVKBSA-N 0 0 666.550 5.826 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409041024 1070443808 /nfs/dbraw/zinc/44/38/08/1070443808.db2.gz YUVMMZZHCXKVRV-PBKKUYBVSA-N 0 0 676.962 6.716 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000409045122 1070453131 /nfs/dbraw/zinc/45/31/31/1070453131.db2.gz HSFXZMNBKFGMEC-QTTRZTASSA-N 0 0 608.072 5.409 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409084222 1070509967 /nfs/dbraw/zinc/50/99/67/1070509967.db2.gz ANCKSSNYLSBNJW-BKUYFWCQSA-N 0 0 703.340 6.116 40 5 KKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409086243 1070519022 /nfs/dbraw/zinc/51/90/22/1070519022.db2.gz QEEZIEJOHQPJJS-STZFKDTASA-N 0 0 530.444 5.669 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409091228 1070526413 /nfs/dbraw/zinc/52/64/13/1070526413.db2.gz RVGMBPIRHZVFMK-LNXFQTKESA-N 0 0 825.394 5.634 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098781 1070531566 /nfs/dbraw/zinc/53/15/66/1070531566.db2.gz PIHVPNGCMNXRRU-DTDQMKFYSA-N 0 0 636.730 5.742 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147849 1070566229 /nfs/dbraw/zinc/56/62/29/1070566229.db2.gz ZPNDYJBQQRUQDB-FKXQXMQPSA-N 0 0 736.806 5.218 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409152228 1070576779 /nfs/dbraw/zinc/57/67/79/1070576779.db2.gz DRMDBQLOYFPXNY-ZMOGYAJESA-N 0 0 601.559 6.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177312 1070592551 /nfs/dbraw/zinc/59/25/51/1070592551.db2.gz DFYLZSFKGOFYPK-PIXWUVMMSA-N 0 0 638.529 5.901 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409179454 1070595274 /nfs/dbraw/zinc/59/52/74/1070595274.db2.gz OCUOZKZHTQYPNY-UHFFFAOYSA-N 0 0 529.548 7.642 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 ZINC000409180393 1070597479 /nfs/dbraw/zinc/59/74/79/1070597479.db2.gz RWJHXRGKVRFOQZ-YTTGMZPUSA-N 0 0 677.463 7.731 40 5 KKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409196003 1070615747 /nfs/dbraw/zinc/61/57/47/1070615747.db2.gz YCUMFRHOEIDRLA-BYHXYDORSA-N 0 0 563.360 5.719 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206073 1070632601 /nfs/dbraw/zinc/63/26/01/1070632601.db2.gz MDXSZWFWQKFWCN-WYMPLXKRSA-N 0 0 565.629 5.579 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409265285 1070688301 /nfs/dbraw/zinc/68/83/01/1070688301.db2.gz RTNISDIXDLMYJF-WYMPLXKRSA-N 0 0 723.929 6.514 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409269577 1070704184 /nfs/dbraw/zinc/70/41/84/1070704184.db2.gz KJKCZBFAMOHQFM-CFRMEGHHSA-N 0 0 583.416 5.864 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl ZINC000409269725 1070704205 /nfs/dbraw/zinc/70/42/05/1070704205.db2.gz MDEWALPZKVTLKN-RGVLZGJSSA-N 0 0 513.915 5.192 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273199 1070712113 /nfs/dbraw/zinc/71/21/13/1070712113.db2.gz IZIOSJVTQITRBS-RMNLPTLGSA-N 0 0 593.709 5.018 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409273542 1070713035 /nfs/dbraw/zinc/71/30/35/1070713035.db2.gz YZCGWBMQTKIRJC-WYMPLXKRSA-N 0 0 666.333 7.561 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409273628 1070713065 /nfs/dbraw/zinc/71/30/65/1070713065.db2.gz KKANPRUJPDFEJK-MFKUBSTISA-N 0 0 563.588 5.256 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274092 1070714516 /nfs/dbraw/zinc/71/45/16/1070714516.db2.gz VFJZYPHHRWJMGH-XGLKJEJJSA-N 0 0 628.154 5.672 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409357035 1070884283 /nfs/dbraw/zinc/88/42/83/1070884283.db2.gz IESKSHGQRHAWKE-HXUWFJFHSA-N 0 0 565.483 5.587 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408906302 1070896329 /nfs/dbraw/zinc/89/63/29/1070896329.db2.gz GCTDRBYQHZXQSL-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408908515 1070984601 /nfs/dbraw/zinc/98/46/01/1070984601.db2.gz FKOVZIABOMUAMZ-MDINZUHSSA-N 0 0 734.812 5.434 40 5 KKBBRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2I)c1 ZINC000408917005 1070994233 /nfs/dbraw/zinc/99/42/33/1070994233.db2.gz KPLADAXIEXZEBP-YDZHTSKRSA-N 0 0 586.407 6.323 40 5 KKBBRN O=C1S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916270 1071000952 /nfs/dbraw/zinc/00/09/52/1071000952.db2.gz ASJQKAANUMXUFD-ZMOGYAJESA-N 0 0 503.967 6.488 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408916219 1071003093 /nfs/dbraw/zinc/00/30/93/1071003093.db2.gz WELUDGBXMVBNBL-DGBHDHARSA-N 0 0 684.774 6.246 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408915647 1071007628 /nfs/dbraw/zinc/00/76/28/1071007628.db2.gz QJWDFGJEKRQJNZ-SWBDNCPRSA-N 0 0 696.181 6.475 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409020268 1071067601 /nfs/dbraw/zinc/06/76/01/1071067601.db2.gz NHVMKHZUQKOVBC-PCLIKHOPSA-N 0 0 810.408 5.768 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408927269 1071069555 /nfs/dbraw/zinc/06/95/55/1071069555.db2.gz VSKYLGPPHFNKEW-KFOJKGMOSA-N 0 0 652.729 5.035 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408927251 1071069570 /nfs/dbraw/zinc/06/95/70/1071069570.db2.gz VRVBYJGRZUCKIX-IMUCPKNRSA-N 0 0 631.739 5.847 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000408927245 1071069632 /nfs/dbraw/zinc/06/96/32/1071069632.db2.gz VRVBYJGRZUCKIX-DDIUQFJASA-N 0 0 631.739 5.847 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408925501 1071077198 /nfs/dbraw/zinc/07/71/98/1071077198.db2.gz LLNJHWQXORNHGO-IQPMGOHCSA-N 0 0 672.738 6.294 40 5 KKBBRN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 ZINC000585139696 1071081255 /nfs/dbraw/zinc/08/12/55/1071081255.db2.gz HIYYGFKEMCPOEG-VRNWFELRSA-N 0 0 541.579 5.669 40 5 KKBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 ZINC000408921714 1071093879 /nfs/dbraw/zinc/09/38/79/1071093879.db2.gz VWOLHEKTTBMXDO-ZXVVBBHZSA-N 0 0 513.575 5.883 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408920658 1071100115 /nfs/dbraw/zinc/10/01/15/1071100115.db2.gz MAICFGAOZKSCQM-LFVJCYFKSA-N 0 0 601.990 7.247 40 5 KKBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408920526 1071102876 /nfs/dbraw/zinc/10/28/76/1071102876.db2.gz JRGXTQOGUHTCNC-IMUCPKNRSA-N 0 0 659.786 5.795 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408920271 1071106743 /nfs/dbraw/zinc/10/67/43/1071106743.db2.gz HYEUAGHVFIYBOH-SUAMDDGLSA-N 0 0 589.695 5.385 40 5 KKBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575421793 1071138558 /nfs/dbraw/zinc/13/85/58/1071138558.db2.gz RRINXLRWMNWQCP-ACHIHNKUSA-N 0 0 600.697 5.373 40 5 KKBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575421798 1071139192 /nfs/dbraw/zinc/13/91/92/1071139192.db2.gz RRINXLRWMNWQCP-ROJLCIKYSA-N 0 0 600.697 5.373 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408917792 1071143079 /nfs/dbraw/zinc/14/30/79/1071143079.db2.gz BEASAMSZIFIARU-GONGWJOBSA-N 0 0 554.671 6.258 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408917646 1071145189 /nfs/dbraw/zinc/14/51/89/1071145189.db2.gz ZCRWDZOVGLXFIX-OGLMXYFKSA-N 0 0 540.597 6.962 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408917343 1071148397 /nfs/dbraw/zinc/14/83/97/1071148397.db2.gz RLVNEAITFZUBTH-WSDLNYQXSA-N 0 0 728.302 6.628 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C ZINC000408930062 1071164797 /nfs/dbraw/zinc/16/47/97/1071164797.db2.gz ROFUUCBMNQYCFN-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408929166 1071173645 /nfs/dbraw/zinc/17/36/45/1071173645.db2.gz HXGGEBIFPLFVAC-WSDLNYQXSA-N 0 0 678.277 6.033 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1C ZINC000408928791 1071180405 /nfs/dbraw/zinc/18/04/05/1071180405.db2.gz JNOIZARMYHHXOJ-FSJBWODESA-N 0 0 571.533 6.698 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000408928244 1071184799 /nfs/dbraw/zinc/18/47/99/1071184799.db2.gz YIXIUWBKDCIUBD-JLKMOJGBSA-N 0 0 592.677 5.018 40 5 KKBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000408927702 1071192989 /nfs/dbraw/zinc/19/29/89/1071192989.db2.gz XDZCJGGLMBWKNT-USDTVRPUSA-N 0 0 615.733 5.396 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccs1 ZINC000197563794 1071206548 /nfs/dbraw/zinc/20/65/48/1071206548.db2.gz RXRUZLYRAOBKIA-QFDNUGPTSA-N 0 0 618.092 5.819 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408935625 1071221685 /nfs/dbraw/zinc/22/16/85/1071221685.db2.gz GGAQWDWMAKCGSQ-SOJUGJLBSA-N 0 0 722.614 5.844 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 ZINC000408935354 1071225487 /nfs/dbraw/zinc/22/54/87/1071225487.db2.gz DKUPJHQPHHOFLN-ZSJKCPIUSA-N 0 0 638.496 5.126 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934894 1071229752 /nfs/dbraw/zinc/22/97/52/1071229752.db2.gz DGECTTDZNQXIHG-KFOJKGMOSA-N 0 0 636.730 5.497 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933531 1071240072 /nfs/dbraw/zinc/24/00/72/1071240072.db2.gz BDRSJRGPXMETGI-FWWZVOFESA-N 0 0 724.586 5.074 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408933398 1071241971 /nfs/dbraw/zinc/24/19/71/1071241971.db2.gz JHXOCDZDJIAYFY-KSEXSDGBSA-N 0 0 616.421 5.759 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933471 1071242488 /nfs/dbraw/zinc/24/24/88/1071242488.db2.gz AXTDVEDXNILQCU-TZUCAZQYSA-N 0 0 643.121 5.290 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408933264 1071243769 /nfs/dbraw/zinc/24/37/69/1071243769.db2.gz ADKYDILRFRMZKA-UONGPDOGSA-N 0 0 820.456 5.670 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408932684 1071249417 /nfs/dbraw/zinc/24/94/17/1071249417.db2.gz DNSKGXVGAGKRFS-FVMAXLJRSA-N 0 0 684.554 5.610 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408945670 1071276026 /nfs/dbraw/zinc/27/60/26/1071276026.db2.gz XOHGNPZVGUHGIE-SZYVSPPHSA-N 0 0 761.478 7.142 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408942750 1071297921 /nfs/dbraw/zinc/29/79/21/1071297921.db2.gz RHJZGHGVCKQBSV-UHAPOFRNSA-N 0 0 742.648 6.988 40 5 KKBBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3OC(C)C)C(C(=O)OCC)=C(C)N=4)cc2[N+](=O)[O-])cc1 ZINC000408942789 1071298434 /nfs/dbraw/zinc/29/84/34/1071298434.db2.gz RNNXEIKZZLKAKP-IMUCPKNRSA-N 0 0 764.651 6.012 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941938 1071305270 /nfs/dbraw/zinc/30/52/70/1071305270.db2.gz QYCLRWQROCFUCK-UAMLYEQYSA-N 0 0 769.614 5.686 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941104 1071310587 /nfs/dbraw/zinc/31/05/87/1071310587.db2.gz PQOVEMGOUFYZQV-JLHDDXNDSA-N 0 0 613.692 5.073 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408940035 1071320302 /nfs/dbraw/zinc/32/03/02/1071320302.db2.gz NUOPOGQEHQUXGK-UAMLYEQYSA-N 0 0 678.163 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408940159 1071318677 /nfs/dbraw/zinc/31/86/77/1071318677.db2.gz OEOITRBOZOXDBC-VPHSIRQSSA-N 0 0 644.662 5.194 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937604 1071338276 /nfs/dbraw/zinc/33/82/76/1071338276.db2.gz KAHCMAYOEBPEFX-YVBHXKDBSA-N 0 0 737.585 5.743 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937514 1071340527 /nfs/dbraw/zinc/34/05/27/1071340527.db2.gz JOOLDGNYMRDPLV-SAGCDJCOSA-N 0 0 657.745 5.471 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000408952468 1071344393 /nfs/dbraw/zinc/34/43/93/1071344393.db2.gz WAQQWITXUZGKRE-HRISCLKESA-N 0 0 669.763 6.184 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408684201 1071344720 /nfs/dbraw/zinc/34/47/20/1071344720.db2.gz MZUDANQLWIEWFU-UHFFFAOYSA-N 0 0 751.407 7.152 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408684228 1071345202 /nfs/dbraw/zinc/34/52/02/1071345202.db2.gz NBFFAERILSBNFD-QYVZARNFSA-N 0 0 598.442 6.351 40 5 KKBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccccc1 ZINC000408685670 1071355146 /nfs/dbraw/zinc/35/51/46/1071355146.db2.gz PUQZHZACKJHSDF-UHFFFAOYSA-N 0 0 744.972 6.181 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408685991 1071354018 /nfs/dbraw/zinc/35/40/18/1071354018.db2.gz QUFVGNDGIWQBAE-UHFFFAOYSA-N 0 0 504.713 5.409 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408685996 1071354040 /nfs/dbraw/zinc/35/40/40/1071354040.db2.gz QUPKRFTUHSSMJS-UHFFFAOYSA-N 0 0 612.165 5.653 40 5 KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000408685937 1071354070 /nfs/dbraw/zinc/35/40/70/1071354070.db2.gz QKQJCLOSRMYEFR-UHFFFAOYSA-N 0 0 761.959 6.407 40 5 KKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408686319 1071349891 /nfs/dbraw/zinc/34/98/91/1071349891.db2.gz ROJJSMFEWQAFMF-JOCHJYFZSA-N 0 0 506.363 5.508 40 5 KKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408686320 1071350011 /nfs/dbraw/zinc/35/00/11/1071350011.db2.gz ROJJSMFEWQAFMF-QFIPXVFZSA-N 0 0 506.363 5.508 40 5 KKBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408684305 1071361144 /nfs/dbraw/zinc/36/11/44/1071361144.db2.gz ORHGXXNOJAVLPH-LJQANCHMSA-N 0 0 577.204 5.319 40 5 KKBBRN O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000408683709 1071363254 /nfs/dbraw/zinc/36/32/54/1071363254.db2.gz NMUNINCIZBMRFJ-UHFFFAOYSA-N 0 0 566.411 7.741 40 5 KKBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408683169 1071367319 /nfs/dbraw/zinc/36/73/19/1071367319.db2.gz KQRMWXGZPQTSFJ-UHFFFAOYSA-N 0 0 573.603 6.715 40 5 KKBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n21 ZINC000408947840 1071368634 /nfs/dbraw/zinc/36/86/34/1071368634.db2.gz JVIOIKYLOHVEAB-ZFWDJNJRSA-N 0 0 672.941 5.780 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1Cl ZINC000408681710 1071373524 /nfs/dbraw/zinc/37/35/24/1071373524.db2.gz IJJDFWTYMDNKGS-UHFFFAOYSA-N 0 0 636.058 7.052 40 5 KKBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408956839 1071376296 /nfs/dbraw/zinc/37/62/96/1071376296.db2.gz ZTGYQMNEJDWTDO-IMDLGZNOSA-N 0 0 816.583 5.428 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Br)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408954454 1071391410 /nfs/dbraw/zinc/39/14/10/1071391410.db2.gz WXUSOOTVSDIPRU-UONGPDOGSA-N 0 0 773.456 5.828 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000408958744 1071400266 /nfs/dbraw/zinc/40/02/66/1071400266.db2.gz WOVQSOHLEKMAIF-NFYDWNOTSA-N 0 0 656.486 5.265 40 5 KKBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000408690793 1071403045 /nfs/dbraw/zinc/40/30/45/1071403045.db2.gz WRVYFAKAGPUOCG-GFCCVEGCSA-N 0 0 577.204 5.545 40 5 KKBBRN COc1ccc2c(Cl)c(C3=N/C(=C\c4c5ccccc5cc5ccccc54)C(=O)O3)sc2c1Cl ZINC000408964498 1071417710 /nfs/dbraw/zinc/41/77/10/1071417710.db2.gz SCPRGCUSAHBQKK-MOSHPQCFSA-N 0 0 504.394 7.868 40 5 KKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408688055 1071425929 /nfs/dbraw/zinc/42/59/29/1071425929.db2.gz VPGNGGWAVCJXPH-QFIPXVFZSA-N 0 0 506.363 5.508 40 5 KKBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408687597 1071429161 /nfs/dbraw/zinc/42/91/61/1071429161.db2.gz URBJHHJWNDBOSQ-UHFFFAOYSA-N 0 0 504.713 5.409 40 5 KKBBRN S=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974238 1071445712 /nfs/dbraw/zinc/44/57/12/1071445712.db2.gz DNXNMGFYHSXNJI-UHFFFAOYSA-N 0 0 511.408 6.451 40 5 KKBBRN O=C(CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000408986854 1071486591 /nfs/dbraw/zinc/48/65/91/1071486591.db2.gz PPJBPEAQYKARLK-UHFFFAOYSA-N 0 0 511.610 5.061 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408986864 1071486596 /nfs/dbraw/zinc/48/65/96/1071486596.db2.gz NLSORQQKYHCPTN-PLNPHXOGSA-N 0 0 682.154 6.085 40 5 KKBBRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408720044 1071510194 /nfs/dbraw/zinc/51/01/94/1071510194.db2.gz JMRZVKHSYCQBJE-JUJAOGAQSA-N 0 0 584.220 5.013 40 5 KKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000408720455 1071512417 /nfs/dbraw/zinc/51/24/17/1071512417.db2.gz PRMPKDWDMZFUCI-KNWZFJHESA-N 0 0 506.558 5.619 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408725416 1071521185 /nfs/dbraw/zinc/52/11/85/1071521185.db2.gz HWVUKIYWWRETSD-SLZKQOKCSA-N 0 0 665.724 5.456 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408722880 1071530909 /nfs/dbraw/zinc/53/09/09/1071530909.db2.gz HKDRDMCOYZVNMP-MFUBYVTQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408979830 1071542170 /nfs/dbraw/zinc/54/21/70/1071542170.db2.gz CZEXRRYKHWDDRM-MVQVQHCTSA-N 0 0 663.333 6.036 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c(OC)c1 ZINC000408980484 1071539921 /nfs/dbraw/zinc/53/99/21/1071539921.db2.gz WWMATZGSDJTOQF-JLKMOJGBSA-N 0 0 622.659 5.059 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408980240 1071540470 /nfs/dbraw/zinc/54/04/70/1071540470.db2.gz FERKITZMUMSXKK-AOLPSBPOSA-N 0 0 674.982 6.104 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980194 1071541631 /nfs/dbraw/zinc/54/16/31/1071541631.db2.gz FBZLWWZTJKQJCG-TVRVIFGSSA-N 0 0 742.206 6.102 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408978722 1071548034 /nfs/dbraw/zinc/54/80/34/1071548034.db2.gz AVLQEFKAVXQPSY-QDNAUZDWSA-N 0 0 658.914 5.391 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408978533 1071548157 /nfs/dbraw/zinc/54/81/57/1071548157.db2.gz IYTLJXSXQZDCTG-RLFCKUQXSA-N 0 0 688.940 5.400 40 5 KKBBRN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(C)cc5)c4cc32)cc1 ZINC000408719886 1071546632 /nfs/dbraw/zinc/54/66/32/1071546632.db2.gz GZENBTNRIACQJW-UHFFFAOYSA-N 0 0 598.706 9.238 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000408719516 1071547121 /nfs/dbraw/zinc/54/71/21/1071547121.db2.gz FMRLWFBDFREYPB-OIOCTNRISA-N 0 0 536.584 5.709 40 5 KKBBRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408978698 1071547464 /nfs/dbraw/zinc/54/74/64/1071547464.db2.gz AONHDPXKQFDVCW-UHFFFAOYSA-N 0 0 562.702 5.947 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408979730 1071542961 /nfs/dbraw/zinc/54/29/61/1071542961.db2.gz CSCXOBMHHXIZMC-RYBDNCPYSA-N 0 0 751.011 6.537 40 5 KKBBRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408720528 1071544018 /nfs/dbraw/zinc/54/40/18/1071544018.db2.gz SYXDGXYAGGCJTK-OREYSHIXSA-N 0 0 506.558 5.701 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408978721 1071547987 /nfs/dbraw/zinc/54/79/87/1071547987.db2.gz AVLQEFKAVXQPSY-AOLPSBPOSA-N 0 0 658.914 5.391 40 5 KKBBRN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@H](C)c4ccccc4)c3cc21)c1ccccc1 ZINC000408720546 1071544617 /nfs/dbraw/zinc/54/46/17/1071544617.db2.gz UCALUVFLTQBFEV-VSGBNLITSA-N 0 0 626.760 9.099 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408978534 1071548644 /nfs/dbraw/zinc/54/86/44/1071548644.db2.gz IYTLJXSXQZDCTG-XQAWFANUSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733742 1071550018 /nfs/dbraw/zinc/55/00/18/1071550018.db2.gz PNGJVIHHEOQBKR-UPWSPCOFSA-N 0 0 661.048 5.788 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733635 1071550635 /nfs/dbraw/zinc/55/06/35/1071550635.db2.gz NIAMQJCAGNCVLS-DQARITGZSA-N 0 0 684.941 7.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733550 1071551071 /nfs/dbraw/zinc/55/10/71/1071551071.db2.gz JMTHOSFUAALQLI-DDRVHEJFSA-N 0 0 755.032 7.514 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733551 1071551331 /nfs/dbraw/zinc/55/13/31/1071551331.db2.gz JMTHOSFUAALQLI-JDQWRUTNSA-N 0 0 755.032 7.514 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733597 1071551676 /nfs/dbraw/zinc/55/16/76/1071551676.db2.gz LLDBRAADPLMCNZ-YVBHXKDBSA-N 0 0 640.630 5.443 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@H]2c1ccccc1 ZINC000408733517 1071552110 /nfs/dbraw/zinc/55/21/10/1071552110.db2.gz YVTDQJKTMGFJKJ-OUEGXDDWSA-N 0 0 530.536 5.578 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3ccc4ccccc4c3C1=C[C@@H]2c1ccccc1 ZINC000408733519 1071552187 /nfs/dbraw/zinc/55/21/87/1071552187.db2.gz YVTDQJKTMGFJKJ-URENDEMCSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735685 1071559108 /nfs/dbraw/zinc/55/91/08/1071559108.db2.gz WBYRYOCERFRHKP-FJNIOPPGSA-N 0 0 674.688 5.204 40 5 KKBBRN Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736387 1071555591 /nfs/dbraw/zinc/55/55/91/1071555591.db2.gz BKUPNIBPQYRULZ-HHHXNRCGSA-N 0 0 507.590 5.710 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408994543 1071557318 /nfs/dbraw/zinc/55/73/18/1071557318.db2.gz HYUREVBRLUNBNR-GNZKFENCSA-N 0 0 608.763 7.365 40 5 KKBBRN O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408994226 1071558940 /nfs/dbraw/zinc/55/89/40/1071558940.db2.gz YFZZOJSMSQXTTP-UHFFFAOYSA-N 0 0 542.642 6.735 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408994103 1071559891 /nfs/dbraw/zinc/55/98/91/1071559891.db2.gz FSPJUWNFHDFSQW-GWXNNEATSA-N 0 0 596.708 6.251 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734572 1071564736 /nfs/dbraw/zinc/56/47/36/1071564736.db2.gz YIYBVAIPNJZKMK-PLQXQRLBSA-N 0 0 608.470 5.037 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733772 1071570198 /nfs/dbraw/zinc/57/01/98/1071570198.db2.gz QJORERVVSCXJLL-BXMULHQWSA-N 0 0 907.908 7.408 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733788 1071570231 /nfs/dbraw/zinc/57/02/31/1071570231.db2.gz QZYRRTIJJWDQFA-DQARITGZSA-N 0 0 684.941 7.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734224 1071566441 /nfs/dbraw/zinc/56/64/41/1071566441.db2.gz VCUKAQBPBQYYAD-YRSDHNRQSA-N 0 0 695.493 6.442 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733792 1071570260 /nfs/dbraw/zinc/57/02/60/1071570260.db2.gz RDKTYAGPVAKFQE-SZYVSPPHSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734171 1071568415 /nfs/dbraw/zinc/56/84/15/1071568415.db2.gz FCCJOQZRBPHMHQ-USDTVRPUSA-N 0 0 617.680 5.072 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733950 1071569008 /nfs/dbraw/zinc/56/90/08/1071569008.db2.gz SWVXKKVDUIZEED-QUNTYYFUSA-N 0 0 664.523 6.842 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408992348 1071572138 /nfs/dbraw/zinc/57/21/38/1071572138.db2.gz AKLMPQJRDQJMKW-JBVGNYNVSA-N 0 0 911.556 7.755 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733267 1071573336 /nfs/dbraw/zinc/57/33/36/1071573336.db2.gz WTOLETJBHKRVDK-QUNTYYFUSA-N 0 0 678.561 5.556 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732960 1071575880 /nfs/dbraw/zinc/57/58/80/1071575880.db2.gz BXJYAVZAJRVADK-DKOMQPSQSA-N 0 0 584.437 5.273 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733134 1071574863 /nfs/dbraw/zinc/57/48/63/1071574863.db2.gz DYKAWYUDUIVTPE-QZMHYXCESA-N 0 0 618.882 5.927 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 ZINC000408733017 1071576879 /nfs/dbraw/zinc/57/68/79/1071576879.db2.gz VBLUVMFKZVDQNW-HQVUIPKPSA-N 0 0 580.980 5.932 40 5 KKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(=O)Oc3c4ccccc4ccc3C1=C[C@H]2c1ccccc1 ZINC000408732058 1071579667 /nfs/dbraw/zinc/57/96/67/1071579667.db2.gz ORUVRULLMUKRTM-QZQBRAAYSA-N 0 0 530.536 5.578 40 5 KKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731446 1071581644 /nfs/dbraw/zinc/58/16/44/1071581644.db2.gz MPMMKEBNCPCDDV-SANMLTNESA-N 0 0 517.538 5.290 40 5 KKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4ccc5ccccc5c4C2=C[C@H]3c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000408730427 1071586923 /nfs/dbraw/zinc/58/69/23/1071586923.db2.gz GFJRNTKYEOJQSL-JCCGMUQBSA-N 0 0 590.544 5.007 40 5 KKBBRN COc1ccc([C@@H]2C=C3c4c(ccc5ccccc54)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 ZINC000408730797 1071585524 /nfs/dbraw/zinc/58/55/24/1071585524.db2.gz HVWKTSBXFLPKIR-GEYQZXRLSA-N 0 0 576.561 5.287 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729854 1071589916 /nfs/dbraw/zinc/58/99/16/1071589916.db2.gz KALNCEAVCGIKNH-IZBTWGKQSA-N 0 0 797.365 5.184 40 5 KKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc3c(c1)OCO3)C=C1c3c(ccc4ccccc43)OC(=O)[C@@H]12 ZINC000408729298 1071593068 /nfs/dbraw/zinc/59/30/68/1071593068.db2.gz AUVPFNZLIYHVFU-JERNHVHOSA-N 0 0 594.963 5.652 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729091 1071593503 /nfs/dbraw/zinc/59/35/03/1071593503.db2.gz AMTIPCGAQHSNTB-JYKOFRAPSA-N 0 0 735.815 6.381 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408989939 1071594236 /nfs/dbraw/zinc/59/42/36/1071594236.db2.gz VROCBJKOOQCVTR-ACHQHTMYSA-N 0 0 693.734 5.486 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729007 1071594731 /nfs/dbraw/zinc/59/47/31/1071594731.db2.gz BQDZCDWOWGLDAC-OIUASMPBSA-N 0 0 730.593 6.317 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000408989299 1071597416 /nfs/dbraw/zinc/59/74/16/1071597416.db2.gz TVAYNRLJEVSOBS-UHFFFAOYSA-N 0 0 688.216 7.567 40 5 KKBBRN Cc1cc(I)cc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408737927 1071612155 /nfs/dbraw/zinc/61/21/55/1071612155.db2.gz PZVIPETVGDXYAH-QFIPXVFZSA-N 0 0 573.387 5.292 40 5 KKBBRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1 ZINC000408757240 1071633719 /nfs/dbraw/zinc/63/37/19/1071633719.db2.gz LHGBUNAOMHSWEB-UHFFFAOYSA-N 0 0 544.361 6.245 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409004675 1071632663 /nfs/dbraw/zinc/63/26/63/1071632663.db2.gz PUNVTLSMNVKULB-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN O=C(COC(=O)[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409003866 1071634633 /nfs/dbraw/zinc/63/46/33/1071634633.db2.gz VQMGUJBEBHRKCC-GDLZYMKVSA-N 0 0 612.591 5.574 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)cc1 ZINC000408756854 1071634796 /nfs/dbraw/zinc/63/47/96/1071634796.db2.gz KAKXTEQQINOPBZ-UHFFFAOYSA-N 0 0 558.432 7.133 40 5 KKBBRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1 ZINC000409003755 1071635593 /nfs/dbraw/zinc/63/55/93/1071635593.db2.gz KSYIVIUUNJVPCF-JLPGSUDCSA-N 0 0 530.533 5.736 40 5 KKBBRN O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408756618 1071637646 /nfs/dbraw/zinc/63/76/46/1071637646.db2.gz RILGRRYTBHJMCL-IMUCPKNRSA-N 0 0 729.450 7.331 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408756641 1071637736 /nfs/dbraw/zinc/63/77/36/1071637736.db2.gz ITIXFNSKTJPYEK-FVUNBJOLSA-N 0 0 853.476 7.024 40 5 KKBBRN Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C4=O)ccc1Br ZINC000409002876 1071639231 /nfs/dbraw/zinc/63/92/31/1071639231.db2.gz XALORRNEICCPPI-UHFFFAOYSA-N 0 0 516.351 6.672 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408755730 1071642726 /nfs/dbraw/zinc/64/27/26/1071642726.db2.gz FDKWZTXBPSPCOG-IKHSWBDUSA-N 0 0 631.710 5.823 40 5 KKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc3ccccc3c2)C4=O)ccc1Br ZINC000408755318 1071645872 /nfs/dbraw/zinc/64/58/72/1071645872.db2.gz DMKJHONWUYWOHN-UHFFFAOYSA-N 0 0 537.369 7.440 40 5 KKBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408755165 1071647088 /nfs/dbraw/zinc/64/70/88/1071647088.db2.gz ZBGNGCRWMQMGNC-BIWBSIMWSA-N 0 0 525.029 5.368 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999898 1071652966 /nfs/dbraw/zinc/65/29/66/1071652966.db2.gz SRIGEOSZYGWIFM-MDINZUHSSA-N 0 0 738.660 7.309 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408753459 1071659072 /nfs/dbraw/zinc/65/90/72/1071659072.db2.gz IXLGUFGDDTZMJH-FLGOMVIPSA-N 0 0 817.627 6.333 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408753460 1071659233 /nfs/dbraw/zinc/65/92/33/1071659233.db2.gz ABASANANTPZMAK-ZRYJBNJPSA-N 0 0 631.666 5.063 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408997599 1071662724 /nfs/dbraw/zinc/66/27/24/1071662724.db2.gz HICWZFSYMKMSTL-WAHKBFHJSA-N 0 0 709.802 5.735 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408752051 1071666721 /nfs/dbraw/zinc/66/67/21/1071666721.db2.gz FACWATWAJFLWTE-PRLWALMFSA-N 0 0 682.549 5.526 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409016420 1071667253 /nfs/dbraw/zinc/66/72/53/1071667253.db2.gz SMJQICJRDIOWKW-SGEFVQMOSA-N 0 0 510.446 5.394 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409013830 1071678279 /nfs/dbraw/zinc/67/82/79/1071678279.db2.gz WDWSAVWIWZJALV-CIAFOILYSA-N 0 0 538.354 5.432 40 5 KKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409012751 1071683394 /nfs/dbraw/zinc/68/33/94/1071683394.db2.gz KKXIHXLVNDCWSU-NPNVKNKFSA-N 0 0 521.389 5.780 40 5 KKBBRN Cc1cc(C)cc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000408748743 1071689823 /nfs/dbraw/zinc/68/98/23/1071689823.db2.gz CACNHISRYHVCIZ-UHFFFAOYSA-N 0 0 518.576 5.353 40 5 KKBBRN O=C1NC(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 ZINC000409010487 1071691502 /nfs/dbraw/zinc/69/15/02/1071691502.db2.gz KREGKSDCWACLMQ-UDWIEESQSA-N 0 0 667.197 5.480 40 5 KKBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409009741 1071694696 /nfs/dbraw/zinc/69/46/96/1071694696.db2.gz HVORRNJTZKTIOE-MQMKENTISA-N 0 0 534.974 5.214 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408759508 1071700978 /nfs/dbraw/zinc/70/09/78/1071700978.db2.gz GHYOJKOYKSWFDY-QZROFMJUSA-N 0 0 741.778 6.233 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408757984 1071709709 /nfs/dbraw/zinc/70/97/09/1071709709.db2.gz SYPYMAQFKFBIIH-VSQRRKBNSA-N 0 0 757.606 6.428 40 5 KKBBRN Cc1cccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(Br)cc3C)C2=O)c1 ZINC000408758356 1071706020 /nfs/dbraw/zinc/70/60/20/1071706020.db2.gz YLVGAUUKRAWEHF-UHFFFAOYSA-N 0 0 501.336 6.595 40 5 KKBBRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408757885 1071708787 /nfs/dbraw/zinc/70/87/87/1071708787.db2.gz ROUUKJQFCPGFBV-UHFFFAOYSA-N 0 0 514.969 6.792 40 5 KKBBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc54)c(=O)n31)c1ccccc1CC2 ZINC000408757452 1071711680 /nfs/dbraw/zinc/71/16/80/1071711680.db2.gz NLXKRKGADZFYMN-GQFYKFLTSA-N 0 0 665.727 6.608 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408757538 1071712595 /nfs/dbraw/zinc/71/25/95/1071712595.db2.gz ZMDDIMNXFUYZBG-JQTKYWOZSA-N 0 0 612.063 5.757 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409022114 1071719813 /nfs/dbraw/zinc/71/98/13/1071719813.db2.gz JQFWCPCDVGIAGV-YBFXNURJSA-N 0 0 521.389 5.780 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)c1 ZINC000408766508 1071719436 /nfs/dbraw/zinc/71/94/36/1071719436.db2.gz CNRYFIGPAPXSSG-HCGJZGQXSA-N 0 0 743.845 7.915 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767298 1071740762 /nfs/dbraw/zinc/74/07/62/1071740762.db2.gz FOPIHSIBSBTPCO-CBYYHRJHSA-N 0 0 596.086 5.000 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770552 1071741589 /nfs/dbraw/zinc/74/15/89/1071741589.db2.gz YYFDHGGSXWEABN-KJPQBXKUSA-N 0 0 805.707 7.611 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409036316 1071743448 /nfs/dbraw/zinc/74/34/48/1071743448.db2.gz QYAHLVQFTBMVTL-NULZLWRNSA-N 0 0 595.633 5.128 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770631 1071741619 /nfs/dbraw/zinc/74/16/19/1071741619.db2.gz ZSAQYTHRURYOFS-ONOZBBEISA-N 0 0 724.586 5.074 40 5 KKBBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n31)c1ccccc1CC2 ZINC000408770576 1071742073 /nfs/dbraw/zinc/74/20/73/1071742073.db2.gz ZEIDKNNMLPRGKI-HAWPWTPLSA-N 0 0 674.760 5.427 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 ZINC000409036556 1071742559 /nfs/dbraw/zinc/74/25/59/1071742559.db2.gz RREWNIMKMAIOAY-DXUGRCAZSA-N 0 0 636.730 5.497 40 5 KKBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409035302 1071751935 /nfs/dbraw/zinc/75/19/35/1071751935.db2.gz RZYGVHKYSKDCBE-BKUYFWCQSA-N 0 0 697.292 5.987 40 5 KKBBRN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 ZINC000408775889 1071753078 /nfs/dbraw/zinc/75/30/78/1071753078.db2.gz SQFNUTAAMGLYEO-OGMUYLFESA-N 0 0 603.656 5.664 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034494 1071760889 /nfs/dbraw/zinc/76/08/89/1071760889.db2.gz HGPVWZGIZVNLMF-RIFKOAFWSA-N 0 0 722.216 6.133 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408773917 1071764047 /nfs/dbraw/zinc/76/40/47/1071764047.db2.gz KAJBLTNXXAZCHR-KMCFWPMWSA-N 0 0 699.738 5.059 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034051 1071764575 /nfs/dbraw/zinc/76/45/75/1071764575.db2.gz NARVICCOZXDKIG-LMWPEEHHSA-N 0 0 892.519 5.603 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408773903 1071765782 /nfs/dbraw/zinc/76/57/82/1071765782.db2.gz TZAGHQLBUZMUJO-MFUBYVTQSA-N 0 0 813.433 5.556 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)sc2=N1 ZINC000409033726 1071766930 /nfs/dbraw/zinc/76/69/30/1071766930.db2.gz PEEJQOLCUREQIV-JLHDDXNDSA-N 0 0 684.568 6.201 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033598 1071768960 /nfs/dbraw/zinc/76/89/60/1071768960.db2.gz FTMKZYLHSPVWSS-XSTKMXAKSA-N 0 0 757.059 6.497 40 5 KKBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(SCc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409032873 1071776391 /nfs/dbraw/zinc/77/63/91/1071776391.db2.gz JRCPGQWVAJZWBC-HVDVVURSSA-N 0 0 621.740 6.152 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032696 1071777670 /nfs/dbraw/zinc/77/76/70/1071777670.db2.gz MOYQQNXIVRLABL-DBHVVYFFSA-N 0 0 813.667 6.085 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408771786 1071778451 /nfs/dbraw/zinc/77/84/51/1071778451.db2.gz ICCPXEVJAVZGTB-CTHKJOMYSA-N 0 0 793.465 7.087 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2=N1 ZINC000409032178 1071782660 /nfs/dbraw/zinc/78/26/60/1071782660.db2.gz LEVICGMGSRKKIM-QPJBPQEWSA-N 0 0 608.072 5.409 40 5 KKBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409031600 1071786220 /nfs/dbraw/zinc/78/62/20/1071786220.db2.gz HKXVRMKKKWCDAF-KMBIYUNPSA-N 0 0 652.498 5.187 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031500 1071787653 /nfs/dbraw/zinc/78/76/53/1071787653.db2.gz AUROLJLHFXJHSK-FZEVDNDPSA-N 0 0 895.510 6.291 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031350 1071788595 /nfs/dbraw/zinc/78/85/95/1071788595.db2.gz ASLPTHRXSXYKHD-UPWSPCOFSA-N 0 0 638.098 5.416 40 5 KKBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408769912 1071789774 /nfs/dbraw/zinc/78/97/74/1071789774.db2.gz QLPYCKXYKLJTDH-MIUGUJGPSA-N 0 0 644.934 6.903 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409030066 1071802095 /nfs/dbraw/zinc/80/20/95/1071802095.db2.gz CADLOMIDTCSEAY-IVQFASICSA-N 0 0 678.163 5.736 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029437 1071807424 /nfs/dbraw/zinc/80/74/24/1071807424.db2.gz AXZVILCSMPWQTJ-AMQCUNCASA-N 0 0 687.771 5.480 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037906 1071818274 /nfs/dbraw/zinc/81/82/74/1071818274.db2.gz ODLTZTCTHGURLU-ONOZBBEISA-N 0 0 783.610 5.974 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408781218 1071818773 /nfs/dbraw/zinc/81/87/73/1071818773.db2.gz BKZSXUIFTVJKCB-QDNAUZDWSA-N 0 0 713.335 6.545 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046929 1071826935 /nfs/dbraw/zinc/82/69/35/1071826935.db2.gz LMDXCULDJRDHFQ-PLMBTIQCSA-N 0 0 631.707 5.379 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046516 1071830952 /nfs/dbraw/zinc/83/09/52/1071830952.db2.gz KLAICQHCIDPRIZ-JHUDVDCUSA-N 0 0 752.640 5.852 40 5 KKBBRN O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408778728 1071834080 /nfs/dbraw/zinc/83/40/80/1071834080.db2.gz XRJMFMTUZDCMHX-SOJUGJLBSA-N 0 0 763.895 7.984 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408777883 1071840762 /nfs/dbraw/zinc/84/07/62/1071840762.db2.gz KYGOLSALZBPJIU-FABFSAKGSA-N 0 0 887.465 6.771 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 ZINC000408778272 1071838930 /nfs/dbraw/zinc/83/89/30/1071838930.db2.gz RYLLNOBPIFRTCL-PKYOQBLNSA-N 0 0 627.078 5.704 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408784569 1071862635 /nfs/dbraw/zinc/86/26/35/1071862635.db2.gz UYABOUIPWZWZJN-WOSHRIRTSA-N 0 0 665.749 5.801 40 5 KKBBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)N(C)C2=S)cc1 ZINC000409042630 1071867507 /nfs/dbraw/zinc/86/75/07/1071867507.db2.gz XEDDPZDXPXFPES-UCQKPKSFSA-N 0 0 741.345 6.386 40 5 KKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 ZINC000408783300 1071871043 /nfs/dbraw/zinc/87/10/43/1071871043.db2.gz NXJCJXVQTDHLLW-PNZYDNNZSA-N 0 0 587.439 5.940 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409040586 1071889124 /nfs/dbraw/zinc/88/91/24/1071889124.db2.gz SVZHDVLMTPSBOE-KAEGSSFASA-N 0 0 771.484 6.599 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000409038337 1071908425 /nfs/dbraw/zinc/90/84/25/1071908425.db2.gz OJHIXHBXXJPRQW-QPJBPQEWSA-N 0 0 652.523 5.518 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049486 1071912873 /nfs/dbraw/zinc/91/28/73/1071912873.db2.gz RBZLIIGDRSMPJI-FFWTUWPMSA-N 0 0 680.783 5.814 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409054229 1071933652 /nfs/dbraw/zinc/93/36/52/1071933652.db2.gz IGKZPPIJTKWQEE-XKZIYDEJSA-N 0 0 618.405 6.037 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053831 1071937278 /nfs/dbraw/zinc/93/72/78/1071937278.db2.gz QSCDPWBXIFFDHY-XKZIYDEJSA-N 0 0 652.292 6.953 40 5 KKBBRN O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053081 1071941911 /nfs/dbraw/zinc/94/19/11/1071941911.db2.gz KEAUOFDEVSJHSD-UCQKPKSFSA-N 0 0 573.396 6.191 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000409050790 1071955650 /nfs/dbraw/zinc/95/56/50/1071955650.db2.gz ZTHDBIRTFNJBIA-FQKMCRJQSA-N 0 0 731.419 6.280 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049047 1071967833 /nfs/dbraw/zinc/96/78/33/1071967833.db2.gz XZIQEGRCAHALRR-GWRYVSOYSA-N 0 0 740.604 5.983 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000409048399 1071970980 /nfs/dbraw/zinc/97/09/80/1071970980.db2.gz WJKUBKLXGRIKOH-SELCLYCASA-N 0 0 643.718 5.081 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409047963 1071974312 /nfs/dbraw/zinc/97/43/12/1071974312.db2.gz NUUSSPGYNGRQBR-FQKMCRJQSA-N 0 0 626.062 5.548 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409047597 1071979236 /nfs/dbraw/zinc/97/92/36/1071979236.db2.gz OVYNGHSTOAELBU-NBQDTTAVSA-N 0 0 761.594 6.052 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409058466 1071985987 /nfs/dbraw/zinc/98/59/87/1071985987.db2.gz OXBMKIORFZMXMH-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000409061416 1072028895 /nfs/dbraw/zinc/02/88/95/1072028895.db2.gz ZOZRKMCBSHMHFH-UUYOSTAYSA-N 0 0 646.903 5.746 40 5 KKBBRN COc1ccccc1N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409062092 1072026606 /nfs/dbraw/zinc/02/66/06/1072026606.db2.gz NGYXEQCQFQUBOW-XKZIYDEJSA-N 0 0 526.954 6.085 40 5 KKBBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409060106 1072035916 /nfs/dbraw/zinc/03/59/16/1072035916.db2.gz STBMABLRBDEROY-OYKKKHCWSA-N 0 0 689.382 6.409 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076847 1072047996 /nfs/dbraw/zinc/04/79/96/1072047996.db2.gz CBOKYPNFCKWZIQ-ZCWBPALNSA-N 0 0 682.549 5.445 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409076804 1072047440 /nfs/dbraw/zinc/04/74/40/1072047440.db2.gz BXEQFMFNDRBYDM-GKTKDVHMSA-N 0 0 794.451 6.596 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076679 1072049403 /nfs/dbraw/zinc/04/94/03/1072049403.db2.gz BPLOYALQMHCVLC-ZCWBPALNSA-N 0 0 698.548 5.145 40 5 KKBBRN CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409075191 1072062819 /nfs/dbraw/zinc/06/28/19/1072062819.db2.gz XEMJSJCUQZCROR-WQRHYEAKSA-N 0 0 570.259 6.535 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409075526 1072060775 /nfs/dbraw/zinc/06/07/75/1072060775.db2.gz RJFINVFZOKPOKI-SRZZPIQSSA-N 0 0 619.799 5.928 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409075362 1072061676 /nfs/dbraw/zinc/06/16/76/1072061676.db2.gz XKCWNHYRWXUZIL-SRZZPIQSSA-N 0 0 603.344 5.019 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409074912 1072065540 /nfs/dbraw/zinc/06/55/40/1072065540.db2.gz OCDABAHUVCKHOO-WSDLNYQXSA-N 0 0 525.920 5.458 40 5 KKBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409079335 1072137268 /nfs/dbraw/zinc/13/72/68/1072137268.db2.gz FLWKWWMDBSCNSA-RZCKFYKVSA-N 0 0 676.751 5.768 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000409078383 1072145850 /nfs/dbraw/zinc/14/58/50/1072145850.db2.gz CADZEVHIZKNAGW-FATJQOLTSA-N 0 0 632.698 5.370 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409086273 1072168686 /nfs/dbraw/zinc/16/86/86/1072168686.db2.gz GRBWZISNKGJYCA-CUJRCQHQSA-N 0 0 695.779 5.198 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409085464 1072179387 /nfs/dbraw/zinc/17/93/87/1072179387.db2.gz XDAIBFNXVKNOCS-JRXNCPAPSA-N 0 0 582.059 5.104 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409083799 1072197066 /nfs/dbraw/zinc/19/70/66/1072197066.db2.gz OPTGEIAFYIHCHO-SAGCDJCOSA-N 0 0 775.621 6.442 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409082764 1072208166 /nfs/dbraw/zinc/20/81/66/1072208166.db2.gz NAUKDHBBMZWJJE-NULZLWRNSA-N 0 0 627.078 5.704 40 5 KKBBRN O=C(Nc1cccc(I)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409082202 1072214895 /nfs/dbraw/zinc/21/48/95/1072214895.db2.gz RPFNOEJSCIASNV-UHFFFAOYSA-N 0 0 571.374 7.334 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccccc1F ZINC000409082189 1072215008 /nfs/dbraw/zinc/21/50/08/1072215008.db2.gz RMVFXRDDBYVEAM-XIHDXPBISA-N 0 0 696.551 5.584 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082354 1072213461 /nfs/dbraw/zinc/21/34/61/1072213461.db2.gz SDQOKGFYDATTAL-FSEOGBMLSA-N 0 0 686.512 5.275 40 5 KKBBRN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409081144 1072225496 /nfs/dbraw/zinc/22/54/96/1072225496.db2.gz JVPATCPEMSCILL-NDENLUEZSA-N 0 0 546.443 5.335 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409097184 1072229208 /nfs/dbraw/zinc/22/92/08/1072229208.db2.gz MRBSPTXDHVLZGV-BUVRLJJBSA-N 0 0 533.562 5.248 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096852 1072232434 /nfs/dbraw/zinc/23/24/34/1072232434.db2.gz GTQXSZXPTLQMNE-PSAPEEBNSA-N 0 0 657.148 6.087 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409096297 1072234344 /nfs/dbraw/zinc/23/43/44/1072234344.db2.gz DDCRMNSRJGIXCN-RGVLZGJSSA-N 0 0 534.974 5.214 40 5 KKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409096126 1072236717 /nfs/dbraw/zinc/23/67/17/1072236717.db2.gz JVZYLPFWUBUUIZ-GIJQJNRQSA-N 0 0 569.817 5.578 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409315840 1072237562 /nfs/dbraw/zinc/23/75/62/1072237562.db2.gz XCKCLRJXSKVZER-UHFFFAOYSA-N 0 0 598.033 5.892 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409094832 1072242885 /nfs/dbraw/zinc/24/28/85/1072242885.db2.gz GJQFKFDWNHMVJQ-RYOBIWAXSA-N 0 0 629.764 5.551 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094098 1072247806 /nfs/dbraw/zinc/24/78/06/1072247806.db2.gz CTMYXDSMYOKWBU-NULZLWRNSA-N 0 0 696.023 6.007 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409092835 1072258853 /nfs/dbraw/zinc/25/88/53/1072258853.db2.gz ZNYUZUMCEDQMQH-CSJROMOCSA-N 0 0 641.134 5.377 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090412 1072282554 /nfs/dbraw/zinc/28/25/54/1072282554.db2.gz NCCMLQNYZNYLFF-CVXNTFFOSA-N 0 0 787.483 6.218 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090206 1072283054 /nfs/dbraw/zinc/28/30/54/1072283054.db2.gz MIKOKUNDVHKPQH-JPAPTLSNSA-N 0 0 738.613 5.464 40 5 KKBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409087832 1072303341 /nfs/dbraw/zinc/30/33/41/1072303341.db2.gz ZXCXVQPWTGBKKR-HRIDGTDGSA-N 0 0 610.623 5.190 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409087689 1072305337 /nfs/dbraw/zinc/30/53/37/1072305337.db2.gz JJYWLEXBVYHZEC-SJXDCSIJSA-N 0 0 679.220 5.834 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101546 1072313319 /nfs/dbraw/zinc/31/33/19/1072313319.db2.gz YXXDLHXUKLPTBY-QPJBPQEWSA-N 0 0 591.089 5.234 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409101420 1072314319 /nfs/dbraw/zinc/31/43/19/1072314319.db2.gz XPDYIULRJYGDMZ-NLTKXKDSSA-N 0 0 667.794 5.507 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000409101014 1072316820 /nfs/dbraw/zinc/31/68/20/1072316820.db2.gz OJDNFBBWTDSZHA-MFKUBSTISA-N 0 0 703.511 6.251 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409100985 1072316881 /nfs/dbraw/zinc/31/68/81/1072316881.db2.gz ODRHFIATKSIKQW-ABBNRAPFSA-N 0 0 641.134 5.377 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409100009 1072322943 /nfs/dbraw/zinc/32/29/43/1072322943.db2.gz PDKOOBMVOIJAOM-KMBIYUNPSA-N 0 0 595.052 5.064 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409099319 1072327354 /nfs/dbraw/zinc/32/73/54/1072327354.db2.gz QDMUWNRXDKKMMH-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097935 1072334619 /nfs/dbraw/zinc/33/46/19/1072334619.db2.gz HTXJAYNGZKSIRY-ZDZYTSRMSA-N 0 0 682.180 5.104 40 5 KKBBRN O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000409097312 1072337389 /nfs/dbraw/zinc/33/73/89/1072337389.db2.gz MXZUIRTXVUDVLX-CIAFOILYSA-N 0 0 526.318 5.168 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409097441 1072338280 /nfs/dbraw/zinc/33/82/80/1072338280.db2.gz IKPLKQGTCIQRPZ-XNENXQGPSA-N 0 0 664.809 6.325 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107215 1072339744 /nfs/dbraw/zinc/33/97/44/1072339744.db2.gz RAHIRZSJNLERPK-LEWFHKMSSA-N 0 0 685.806 6.177 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409335250 1072340762 /nfs/dbraw/zinc/34/07/62/1072340762.db2.gz KOHPTUHCMLZNQW-TZUCAZQYSA-N 0 0 785.613 5.306 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409106022 1072346517 /nfs/dbraw/zinc/34/65/17/1072346517.db2.gz LRXBKXIZXJNIAP-AURKMBPUSA-N 0 0 645.952 6.232 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409106032 1072346582 /nfs/dbraw/zinc/34/65/82/1072346582.db2.gz QBMPKKNZNXFIFF-MFISQUFLSA-N 0 0 659.790 5.565 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409106027 1072346651 /nfs/dbraw/zinc/34/66/51/1072346651.db2.gz LRXBKXIZXJNIAP-GXIJPSQLSA-N 0 0 645.952 6.232 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105883 1072347742 /nfs/dbraw/zinc/34/77/42/1072347742.db2.gz JOGIRZYDTSBBBH-XLHJEKARSA-N 0 0 696.811 5.129 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409105048 1072351169 /nfs/dbraw/zinc/35/11/69/1072351169.db2.gz IBGJBMNOECBFKW-ZVHZXABRSA-N 0 0 612.458 6.010 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409105067 1072351637 /nfs/dbraw/zinc/35/16/37/1072351637.db2.gz GAADFIHBGHAVOH-SRZZPIQSSA-N 0 0 528.348 5.977 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409333533 1072351904 /nfs/dbraw/zinc/35/19/04/1072351904.db2.gz KHAGEJIQOPIXET-VPHSIRQSSA-N 0 0 674.529 6.297 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409104757 1072353061 /nfs/dbraw/zinc/35/30/61/1072353061.db2.gz HYPDXORKLMWWFZ-KKGHXWGNSA-N 0 0 697.795 5.604 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409104651 1072353905 /nfs/dbraw/zinc/35/39/05/1072353905.db2.gz GMMOIETWRPCURB-ZVHZXABRSA-N 0 0 659.458 5.852 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409104528 1072354684 /nfs/dbraw/zinc/35/46/84/1072354684.db2.gz FQMXSQUCYHATOB-LFKFDNPZSA-N 0 0 728.274 7.790 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102628 1072365217 /nfs/dbraw/zinc/36/52/17/1072365217.db2.gz ZDCSFNDLVIBUHG-DTDQMKFYSA-N 0 0 652.729 5.442 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409102924 1072363695 /nfs/dbraw/zinc/36/36/95/1072363695.db2.gz URPSFOXUDWUVMN-YDZHTSKRSA-N 0 0 785.354 6.457 40 5 KKBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000409330514 1072376259 /nfs/dbraw/zinc/37/62/59/1072376259.db2.gz BBXBWPXPDKVAMY-DMYKZIHUSA-N 0 0 749.842 6.771 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 ZINC000409113601 1072384447 /nfs/dbraw/zinc/38/44/47/1072384447.db2.gz HTEZZPDTVZKJAJ-HHHXNRCGSA-N 0 0 518.400 7.263 40 5 KKBBRN CCOc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409112826 1072387505 /nfs/dbraw/zinc/38/75/05/1072387505.db2.gz LVZURXWXHKHGQI-UHFFFAOYSA-N 0 0 534.350 5.798 40 5 KKBBRN COc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112623 1072389243 /nfs/dbraw/zinc/38/92/43/1072389243.db2.gz FQEBGLGVNYWWGN-UHFFFAOYSA-N 0 0 538.769 6.361 40 5 KKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc3c4c(cccc42)CC3)N1Cc1ccccc1 ZINC000409112135 1072390780 /nfs/dbraw/zinc/39/07/80/1072390780.db2.gz KJBYXPJAEGNTHR-MGBGTMOVSA-N 0 0 525.608 7.208 40 5 KKBBRN O=C1NC(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409111248 1072393414 /nfs/dbraw/zinc/39/34/14/1072393414.db2.gz BAWABYISERAPQQ-KEBDBYFISA-N 0 0 607.642 6.450 40 5 KKBBRN COc1ccc(OC)c([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1 ZINC000409111233 1072393520 /nfs/dbraw/zinc/39/35/20/1072393520.db2.gz BAAUJSYNXCDYHD-GDLZYMKVSA-N 0 0 509.562 5.973 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1Br ZINC000409328415 1072394137 /nfs/dbraw/zinc/39/41/37/1072394137.db2.gz UUZIKVOSVHWTQF-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409108039 1072410554 /nfs/dbraw/zinc/41/05/54/1072410554.db2.gz VFKGKCSEUANOCP-PQRKSKNISA-N 0 0 617.127 5.244 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107794 1072412857 /nfs/dbraw/zinc/41/28/57/1072412857.db2.gz QQASJGYNUFQQQE-FOQAXWDGSA-N 0 0 692.794 5.761 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)sc2=N1 ZINC000409121846 1072423947 /nfs/dbraw/zinc/42/39/47/1072423947.db2.gz YFNUEUAQUUJSLM-ZDZYTSRMSA-N 0 0 726.631 5.213 40 5 KKBBRN COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000409120607 1072430129 /nfs/dbraw/zinc/43/01/29/1072430129.db2.gz UQABEJPUUCFEJI-DHUJRADRSA-N 0 0 664.556 8.306 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344016 1072436532 /nfs/dbraw/zinc/43/65/32/1072436532.db2.gz JAHLMKIVILLVHQ-LXYLXTGBSA-N 0 0 821.431 5.803 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000409343267 1072443080 /nfs/dbraw/zinc/44/30/80/1072443080.db2.gz DSCUDSQWQHGVFD-FQEVSTJZSA-N 0 0 585.901 6.024 40 5 KKBBRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000409342941 1072445379 /nfs/dbraw/zinc/44/53/79/1072445379.db2.gz CKDYYAFDRWRVFI-LJQANCHMSA-N 0 0 508.431 5.840 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000409125191 1072460823 /nfs/dbraw/zinc/46/08/23/1072460823.db2.gz JJBBEYWGAPCLRA-LJQANCHMSA-N 0 0 570.981 5.253 40 5 KKBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C ZINC000409137208 1072472963 /nfs/dbraw/zinc/47/29/63/1072472963.db2.gz UPSUNJQKDCSTDT-VWLOTQADSA-N 0 0 574.688 5.772 40 5 KKBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C ZINC000409137207 1072473060 /nfs/dbraw/zinc/47/30/60/1072473060.db2.gz UPSUNJQKDCSTDT-RUZDIDTESA-N 0 0 574.688 5.772 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CC1CCCCC1 ZINC000409136214 1072479808 /nfs/dbraw/zinc/47/98/08/1072479808.db2.gz XUOLTILWFAXLKG-CIAFOILYSA-N 0 0 521.422 7.097 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1Br ZINC000409337949 1072489380 /nfs/dbraw/zinc/48/93/80/1072489380.db2.gz AEDYDTZFSQDSBS-UFFVCSGVSA-N 0 0 701.271 7.606 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409134581 1072491041 /nfs/dbraw/zinc/49/10/41/1072491041.db2.gz SGHWIGLFAMNYKV-KOEQRZSOSA-N 0 0 553.036 6.895 40 5 KKBBRN COC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409132229 1072505062 /nfs/dbraw/zinc/50/50/62/1072505062.db2.gz LUCCVJPLTMMUMX-SSEXGKCCSA-N 0 0 537.572 5.508 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355535 1072509277 /nfs/dbraw/zinc/50/92/77/1072509277.db2.gz DGWMAHZWNXVPFZ-WQNUKSJVSA-N 0 0 760.006 5.861 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409355139 1072510244 /nfs/dbraw/zinc/51/02/44/1072510244.db2.gz JEWUOHIXHHVCKM-OAQYLSRUSA-N 0 0 545.065 5.416 40 5 KKBBRN O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1 ZINC000409129925 1072517353 /nfs/dbraw/zinc/51/73/53/1072517353.db2.gz VKXKJZPAYZDPIQ-DHUJRADRSA-N 0 0 598.659 6.974 40 5 KKBBRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409128152 1072527058 /nfs/dbraw/zinc/52/70/58/1072527058.db2.gz DPCYCSCPIVPZCF-LICLKQGHSA-N 0 0 572.231 5.382 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409352481 1072528607 /nfs/dbraw/zinc/52/86/07/1072528607.db2.gz VZYGCOSCZSJPPR-FQEVSTJZSA-N 0 0 585.901 6.024 40 5 KKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409144412 1072534973 /nfs/dbraw/zinc/53/49/73/1072534973.db2.gz OSKSNQDJJJKFDY-HXUWFJFHSA-N 0 0 595.907 5.480 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccccc1Br ZINC000409351230 1072536698 /nfs/dbraw/zinc/53/66/98/1072536698.db2.gz ZQJIGLRJMYKLDI-LPYMAVHISA-N 0 0 568.405 5.611 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409351242 1072536739 /nfs/dbraw/zinc/53/67/39/1072536739.db2.gz ZWYIHBDUWFXTJV-UCQKPKSFSA-N 0 0 548.577 5.589 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409143089 1072543616 /nfs/dbraw/zinc/54/36/16/1072543616.db2.gz UNSMUTCKFTWCRW-AHNSQEAUSA-N 0 0 667.744 5.541 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409142762 1072545303 /nfs/dbraw/zinc/54/53/03/1072545303.db2.gz BUEXEFGWTZLCJU-OEAKJJBVSA-N 0 0 568.995 5.020 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141842 1072550553 /nfs/dbraw/zinc/55/05/53/1072550553.db2.gz WXYWEYORUJOZDK-UHFFFAOYSA-N 0 0 558.827 5.706 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Br ZINC000409349244 1072551485 /nfs/dbraw/zinc/55/14/85/1072551485.db2.gz VCQHJPWCFZZKLH-VXLYETTFSA-N 0 0 562.785 5.946 40 5 KKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409348876 1072553225 /nfs/dbraw/zinc/55/32/25/1072553225.db2.gz TUBYSYXCNNHGNL-OYKKKHCWSA-N 0 0 568.076 7.198 40 5 KKBBRN CCCCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409140444 1072559518 /nfs/dbraw/zinc/55/95/18/1072559518.db2.gz FGHNPYCHUNRLTQ-WJOKGBTCSA-N 0 0 521.617 7.135 40 5 KKBBRN COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC000409140024 1072561873 /nfs/dbraw/zinc/56/18/73/1072561873.db2.gz CXFNYNVOGVWYAC-GDLZYMKVSA-N 0 0 509.562 5.973 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140060 1072561950 /nfs/dbraw/zinc/56/19/50/1072561950.db2.gz HQMCLAOPWZEHGO-GKTKDVHMSA-N 0 0 682.980 6.010 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409347577 1072562327 /nfs/dbraw/zinc/56/23/27/1072562327.db2.gz MRNZOWRBFAGBHM-CVKSISIWSA-N 0 0 701.539 6.976 40 5 KKBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409139385 1072565184 /nfs/dbraw/zinc/56/51/84/1072565184.db2.gz DDAHSPPFVVBCKL-NNAGEYCMSA-N 0 0 634.743 5.340 40 5 KKBBRN O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CC1CCCCC1 ZINC000409138332 1072570342 /nfs/dbraw/zinc/57/03/42/1072570342.db2.gz ZZWCCXUUMZDPNU-CIAFOILYSA-N 0 0 521.422 7.097 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409138034 1072571612 /nfs/dbraw/zinc/57/16/12/1072571612.db2.gz YZMCSEPKBRCXOY-LPYMAVHISA-N 0 0 531.428 6.553 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2sc(=CC34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409146429 1072581993 /nfs/dbraw/zinc/58/19/93/1072581993.db2.gz RTXRSRRGRJFNFC-NQZNSAFQSA-N 0 0 772.839 6.062 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409157055 1072592091 /nfs/dbraw/zinc/59/20/91/1072592091.db2.gz PTCKXMDGLRTKRR-SSDVNMTOSA-N 0 0 629.401 5.741 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409155474 1072599485 /nfs/dbraw/zinc/59/94/85/1072599485.db2.gz QBGJMWORSXMKMJ-SRZZPIQSSA-N 0 0 622.375 6.843 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409155245 1072601764 /nfs/dbraw/zinc/60/17/64/1072601764.db2.gz CQIDHNROYJKGMP-FSJBWODESA-N 0 0 600.403 6.693 40 5 KKBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1[N+](=O)[O-] ZINC000409154566 1072605045 /nfs/dbraw/zinc/60/50/45/1072605045.db2.gz KJZLHSMDBZZEIG-IBGZPJMESA-N 0 0 537.429 5.186 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409360792 1072606164 /nfs/dbraw/zinc/60/61/64/1072606164.db2.gz PYHPKPYNQRYKQU-ZWTBYVTRSA-N 0 0 866.428 5.711 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409154445 1072606179 /nfs/dbraw/zinc/60/61/79/1072606179.db2.gz AXUYCMIKSOCTDO-XKZIYDEJSA-N 0 0 556.021 6.083 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409154246 1072606691 /nfs/dbraw/zinc/60/66/91/1072606691.db2.gz NFCDMUADXMADPI-RMORIDSASA-N 0 0 612.414 5.340 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409154102 1072607287 /nfs/dbraw/zinc/60/72/87/1072607287.db2.gz MRQMSUSCYNAQQL-JFLMPSFJSA-N 0 0 654.097 6.468 40 5 KKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409360671 1072607283 /nfs/dbraw/zinc/60/72/83/1072607283.db2.gz BUNHMPSUFSDMIX-LJQANCHMSA-N 0 0 508.431 5.932 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409154206 1072607823 /nfs/dbraw/zinc/60/78/23/1072607823.db2.gz NZUKPMJPVYAAPE-YVNNLAQVSA-N 0 0 570.004 5.803 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409153806 1072609231 /nfs/dbraw/zinc/60/92/31/1072609231.db2.gz NBXRBUHAGGSLBR-FOKLQQMPSA-N 0 0 621.977 7.133 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409153500 1072611961 /nfs/dbraw/zinc/61/19/61/1072611961.db2.gz LGCCVDUDJSEDOV-ZVHZXABRSA-N 0 0 547.589 5.474 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409152683 1072616468 /nfs/dbraw/zinc/61/64/68/1072616468.db2.gz GBDHPBWFIIMBFR-VXLYETTFSA-N 0 0 518.334 5.837 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409152548 1072617590 /nfs/dbraw/zinc/61/75/90/1072617590.db2.gz BKVFOCCBAOOKCD-SRZZPIQSSA-N 0 0 513.369 6.471 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409152024 1072621415 /nfs/dbraw/zinc/62/14/15/1072621415.db2.gz ISOZOLRKRKSLMK-UFFVCSGVSA-N 0 0 658.246 8.167 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409149905 1072631981 /nfs/dbraw/zinc/63/19/81/1072631981.db2.gz VDCIQIVUWSLFHY-MTDXEUNCSA-N 0 0 618.668 5.084 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409149956 1072632595 /nfs/dbraw/zinc/63/25/95/1072632595.db2.gz WNCFCQXAAGIZKP-PSAPEEBNSA-N 0 0 679.780 5.410 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149575 1072634144 /nfs/dbraw/zinc/63/41/44/1072634144.db2.gz KLPCUVOZNHKUKI-SOJUGJLBSA-N 0 0 777.491 7.272 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409374731 1072634798 /nfs/dbraw/zinc/63/47/98/1072634798.db2.gz XVQFBIHIDCDDBP-WSDLNYQXSA-N 0 0 548.577 5.391 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374719 1072634817 /nfs/dbraw/zinc/63/48/17/1072634817.db2.gz XLRITNOOWWPNOG-AFUMVMLFSA-N 0 0 701.539 6.777 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000409374577 1072635768 /nfs/dbraw/zinc/63/57/68/1072635768.db2.gz UFEHYMSSKRRFAQ-FSJBWODESA-N 0 0 562.560 5.896 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409149143 1072637727 /nfs/dbraw/zinc/63/77/27/1072637727.db2.gz XZSJLYUSKGHAIF-LPYMAVHISA-N 0 0 561.454 6.562 40 5 KKBBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409373994 1072639998 /nfs/dbraw/zinc/63/99/98/1072639998.db2.gz JFEPIOSJQRMKEQ-FSJBWODESA-N 0 0 585.560 7.006 40 5 KKBBRN COc1ccc(Br)cc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 ZINC000409148575 1072641049 /nfs/dbraw/zinc/64/10/49/1072641049.db2.gz ZJSWCLNPTSSDQE-NDEPHWFRSA-N 0 0 558.432 6.727 40 5 KKBBRN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148108 1072643838 /nfs/dbraw/zinc/64/38/38/1072643838.db2.gz XHGULFIKUKAGOZ-FQEVSTJZSA-N 0 0 585.008 5.736 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409373069 1072643971 /nfs/dbraw/zinc/64/39/71/1072643971.db2.gz SRKBRFJSZOZPGE-JJFYIABZSA-N 0 0 558.012 6.522 40 5 KKBBRN COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409148102 1072645338 /nfs/dbraw/zinc/64/53/38/1072645338.db2.gz OMUBCBYHBWUMSX-PGUFJCEWSA-N 0 0 699.001 8.960 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)cc1 ZINC000409166187 1072651098 /nfs/dbraw/zinc/65/10/98/1072651098.db2.gz COJMZYBKYVVEKJ-YBFXNURJSA-N 0 0 528.340 5.292 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164649 1072657871 /nfs/dbraw/zinc/65/78/71/1072657871.db2.gz LMUMKZOUMMKVMA-LSHDLFTRSA-N 0 0 584.950 5.632 40 5 KKBBRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OC ZINC000409164716 1072658382 /nfs/dbraw/zinc/65/83/82/1072658382.db2.gz MRTOVBHDWXSUHM-PYCBVSLESA-N 0 0 631.707 5.462 40 5 KKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409164721 1072658484 /nfs/dbraw/zinc/65/84/84/1072658484.db2.gz MTHICLWTGHVQMF-RGVLZGJSSA-N 0 0 558.366 5.301 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164312 1072659573 /nfs/dbraw/zinc/65/95/73/1072659573.db2.gz GOGVJHPXWRSRGO-FSJBWODESA-N 0 0 598.977 6.022 40 5 KKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409163854 1072662674 /nfs/dbraw/zinc/66/26/74/1072662674.db2.gz YSEGRWSGSMLZNF-NHDPSOOVSA-N 0 0 513.369 6.471 40 5 KKBBRN CCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000409368467 1072664191 /nfs/dbraw/zinc/66/41/91/1072664191.db2.gz XFTOLXJZOMPKLP-UHFFFAOYSA-N 0 0 514.328 5.375 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409163547 1072664863 /nfs/dbraw/zinc/66/48/63/1072664863.db2.gz TXWUVMGVZSKVMN-ROTLSHHCSA-N 0 0 669.068 5.126 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409163215 1072665947 /nfs/dbraw/zinc/66/59/47/1072665947.db2.gz NRJLQXBLXWMOBZ-JFLMPSFJSA-N 0 0 654.097 6.468 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409162576 1072668491 /nfs/dbraw/zinc/66/84/91/1072668491.db2.gz GBZSGHKVYSSQLL-NTNOMAAHSA-N 0 0 649.725 6.199 40 5 KKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409162344 1072671207 /nfs/dbraw/zinc/67/12/07/1072671207.db2.gz DAUQSDVVFPKAMV-RGVLZGJSSA-N 0 0 556.394 5.909 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1C ZINC000409161754 1072675250 /nfs/dbraw/zinc/67/52/50/1072675250.db2.gz AUUOXLKTERBHBJ-FSJBWODESA-N 0 0 548.533 5.587 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409161610 1072676246 /nfs/dbraw/zinc/67/62/46/1072676246.db2.gz WNBMPEIXWGDYCR-FSJBWODESA-N 0 0 587.532 6.398 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409377646 1072678890 /nfs/dbraw/zinc/67/88/90/1072678890.db2.gz JQNWXKGAOPFFML-YSMPRRRNSA-N 0 0 608.072 5.847 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409160727 1072681370 /nfs/dbraw/zinc/68/13/70/1072681370.db2.gz ZBJXMCOGMVLOJC-GRSHGNNSSA-N 0 0 552.392 5.534 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409160547 1072681920 /nfs/dbraw/zinc/68/19/20/1072681920.db2.gz RFJQNZNUKJMLNP-UCQKPKSFSA-N 0 0 570.048 6.473 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 ZINC000409160496 1072682902 /nfs/dbraw/zinc/68/29/02/1072682902.db2.gz QISSSKTVTLNTSC-UFFVCSGVSA-N 0 0 554.924 5.624 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409386401 1072686666 /nfs/dbraw/zinc/68/66/66/1072686666.db2.gz PWWDTQXQLSHBPR-WSDLNYQXSA-N 0 0 572.979 5.842 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1 ZINC000409386062 1072690034 /nfs/dbraw/zinc/69/00/34/1072690034.db2.gz NYPGCMHIYZWHJJ-SRZZPIQSSA-N 0 0 620.377 5.395 40 5 KKBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409158917 1072690615 /nfs/dbraw/zinc/69/06/15/1072690615.db2.gz YMWQKMDTZHAPTN-RGFRMHDHSA-N 0 0 587.654 5.064 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409158932 1072690961 /nfs/dbraw/zinc/69/09/61/1072690961.db2.gz YPZRVEGXCOPZAB-ZVHZXABRSA-N 0 0 626.485 6.318 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409158648 1072692488 /nfs/dbraw/zinc/69/24/88/1072692488.db2.gz UHQVZDOMCZJSDZ-FSJBWODESA-N 0 0 578.559 5.596 40 5 KKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000409158709 1072692829 /nfs/dbraw/zinc/69/28/29/1072692829.db2.gz YIZJRFYPEVRCIN-FMCGGJTJSA-N 0 0 599.668 5.068 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)o1 ZINC000409158131 1072695995 /nfs/dbraw/zinc/69/59/95/1072695995.db2.gz WOSPVDFFMXBWSX-CIAFOILYSA-N 0 0 507.524 5.155 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)o1 ZINC000409384640 1072697076 /nfs/dbraw/zinc/69/70/76/1072697076.db2.gz DYIGIUBYHYJESU-FSJBWODESA-N 0 0 517.519 5.214 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409384251 1072699878 /nfs/dbraw/zinc/69/98/78/1072699878.db2.gz BXHCKRSVSGHBHP-QFEZKATASA-N 0 0 638.496 5.566 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000409176371 1072707222 /nfs/dbraw/zinc/70/72/22/1072707222.db2.gz LVVPFXBYVFQKAN-UHFFFAOYSA-N 0 0 621.558 7.197 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409176294 1072707643 /nfs/dbraw/zinc/70/76/43/1072707643.db2.gz JSKBAJRUNKRCPU-AREMUKBSSA-N 0 0 551.467 5.085 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176943 1072709417 /nfs/dbraw/zinc/70/94/17/1072709417.db2.gz BWFSDSGDXICRJL-AREMUKBSSA-N 0 0 501.516 5.209 40 5 KKBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409176667 1072710827 /nfs/dbraw/zinc/71/08/27/1072710827.db2.gz UPJUUNQWCKNJTE-UHFFFAOYSA-N 0 0 510.502 5.988 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175745 1072714435 /nfs/dbraw/zinc/71/44/35/1072714435.db2.gz BRMGSVYNQZYBCW-JYNXQWRTSA-N 0 0 747.451 6.672 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409175509 1072716532 /nfs/dbraw/zinc/71/65/32/1072716532.db2.gz ZPYRNXBXWPCUPF-VWLOTQADSA-N 0 0 522.340 7.475 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 ZINC000409380621 1072717294 /nfs/dbraw/zinc/71/72/94/1072717294.db2.gz AFGBDWFCRFECGB-QFEZKATASA-N 0 0 608.470 5.558 40 5 KKBBRN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000409175309 1072717459 /nfs/dbraw/zinc/71/74/59/1072717459.db2.gz ZBKYFPVBDJFTPL-MHZLTWQESA-N 0 0 515.543 5.517 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409175248 1072718120 /nfs/dbraw/zinc/71/81/20/1072718120.db2.gz YOIVPBKALIQDHM-AREMUKBSSA-N 0 0 540.915 5.830 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174433 1072721750 /nfs/dbraw/zinc/72/17/50/1072721750.db2.gz TXPSDAFERXPJKA-UHFFFAOYSA-N 0 0 542.372 5.192 40 5 KKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409173964 1072724277 /nfs/dbraw/zinc/72/42/77/1072724277.db2.gz QIGJDRMBVMMGRC-HMAPJEAMSA-N 0 0 534.550 5.028 40 5 KKBBRN Cc1cc2nc3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n3c2cc1C ZINC000409391528 1072727582 /nfs/dbraw/zinc/72/75/82/1072727582.db2.gz IKLSDKZFKCANKM-JJFYIABZSA-N 0 0 615.303 6.086 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409391016 1072728802 /nfs/dbraw/zinc/72/88/02/1072728802.db2.gz XHCYWLYEQQJXCO-UHFFFAOYSA-N 0 0 508.383 5.040 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409172851 1072731214 /nfs/dbraw/zinc/73/12/14/1072731214.db2.gz MAFLTCOKKYOUIP-YDZHTSKRSA-N 0 0 691.354 6.773 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409172248 1072734838 /nfs/dbraw/zinc/73/48/38/1072734838.db2.gz FEHVSTOBVSRIJG-CIAFOILYSA-N 0 0 619.799 5.928 40 5 KKBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409171416 1072740552 /nfs/dbraw/zinc/74/05/52/1072740552.db2.gz AXGGTYFAYDVJIY-MYYYXRDXSA-N 0 0 704.135 5.656 40 5 KKBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409171300 1072741782 /nfs/dbraw/zinc/74/17/82/1072741782.db2.gz ZPVPCXWYSOOOBX-UUYOSTAYSA-N 0 0 613.004 5.296 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409170595 1072743753 /nfs/dbraw/zinc/74/37/53/1072743753.db2.gz WNFPWFUDPMEJOU-XKZIYDEJSA-N 0 0 540.022 6.383 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 ZINC000409170720 1072744739 /nfs/dbraw/zinc/74/47/39/1072744739.db2.gz XFWRCMNVUXPAQV-SRZZPIQSSA-N 0 0 579.350 7.405 40 5 KKBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400361 1072746159 /nfs/dbraw/zinc/74/61/59/1072746159.db2.gz PDWUURUAFFXYQX-WSVATBPTSA-N 0 0 669.666 5.825 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409169987 1072747459 /nfs/dbraw/zinc/74/74/59/1072747459.db2.gz RQCJXZSUBDEKJS-WYMPLXKRSA-N 0 0 751.939 6.292 40 5 KKBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409403059 1072772554 /nfs/dbraw/zinc/77/25/54/1072772554.db2.gz YLTXGQSGOKUFFC-ZDLGFXPLSA-N 0 0 634.823 5.461 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409183052 1072786240 /nfs/dbraw/zinc/78/62/40/1072786240.db2.gz QPVJTGGPAJXLHF-KAEGSSFASA-N 0 0 648.137 5.646 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182744 1072788447 /nfs/dbraw/zinc/78/84/47/1072788447.db2.gz NLHNFGJUDLMIKK-IPAKXIGBSA-N 0 0 727.033 6.409 40 5 KKBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O ZINC000409182143 1072791991 /nfs/dbraw/zinc/79/19/91/1072791991.db2.gz IJKFTUHZVIQUNX-PSXMRANNSA-N 0 0 809.762 6.587 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409181939 1072794234 /nfs/dbraw/zinc/79/42/34/1072794234.db2.gz GWMUIUGKMBADMX-SRZZPIQSSA-N 0 0 511.943 5.800 40 5 KKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181660 1072795993 /nfs/dbraw/zinc/79/59/93/1072795993.db2.gz FSIBLAODFRLBET-SANMLTNESA-N 0 0 501.516 5.209 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409181151 1072799283 /nfs/dbraw/zinc/79/92/83/1072799283.db2.gz XXLFSMBLUXAMJD-HHHXNRCGSA-N 0 0 554.942 6.138 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000409410973 1072799568 /nfs/dbraw/zinc/79/95/68/1072799568.db2.gz BPJHZMXOPGSWPO-UHFFFAOYSA-N 0 0 517.563 5.530 40 5 KKBBRN COc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409180969 1072800215 /nfs/dbraw/zinc/80/02/15/1072800215.db2.gz ZXJSDFDMOQAXPL-MHZLTWQESA-N 0 0 510.502 5.637 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409180740 1072802285 /nfs/dbraw/zinc/80/22/85/1072802285.db2.gz UZUXACRWZNPHKK-AREMUKBSSA-N 0 0 543.444 5.985 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000409179822 1072807363 /nfs/dbraw/zinc/80/73/63/1072807363.db2.gz UABSICYWLSPQAW-GDLZYMKVSA-N 0 0 567.395 7.354 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179848 1072807743 /nfs/dbraw/zinc/80/77/43/1072807743.db2.gz OIKSIFOIPCIOID-UHFFFAOYSA-N 0 0 713.112 6.219 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409179838 1072807777 /nfs/dbraw/zinc/80/77/77/1072807777.db2.gz NVHSISYVGSGWAW-AFUMVMLFSA-N 0 0 592.586 5.931 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179652 1072808224 /nfs/dbraw/zinc/80/82/24/1072808224.db2.gz RAKJPQSUTRAORO-UHFFFAOYSA-N 0 0 632.975 6.117 40 5 KKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409179748 1072808560 /nfs/dbraw/zinc/80/85/60/1072808560.db2.gz NMQJWESQNIHCTE-UHFFFAOYSA-N 0 0 553.574 8.021 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000409178879 1072814637 /nfs/dbraw/zinc/81/46/37/1072814637.db2.gz OIGVTZUUIFCSED-AREMUKBSSA-N 0 0 574.467 6.195 40 5 KKBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409178480 1072816074 /nfs/dbraw/zinc/81/60/74/1072816074.db2.gz IPBPNUBIKBIOSU-UHFFFAOYSA-N 0 0 553.483 5.761 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178492 1072816250 /nfs/dbraw/zinc/81/62/50/1072816250.db2.gz KFHBFSPATNLKGI-UHFFFAOYSA-N 0 0 679.560 5.853 40 5 KKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409178407 1072817268 /nfs/dbraw/zinc/81/72/68/1072817268.db2.gz HIUULNXUOXUDFJ-AREMUKBSSA-N 0 0 506.470 5.176 40 5 KKBBRN Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409178049 1072818770 /nfs/dbraw/zinc/81/87/70/1072818770.db2.gz DRTSCLGMZWECNY-UHFFFAOYSA-N 0 0 513.289 5.050 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409178063 1072818864 /nfs/dbraw/zinc/81/88/64/1072818864.db2.gz GELGEGRPJMSUFF-WYMPLXKRSA-N 0 0 660.930 6.972 40 5 KKBBRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409177670 1072821996 /nfs/dbraw/zinc/82/19/96/1072821996.db2.gz HSGVUNUDABTVPW-UHFFFAOYSA-N 0 0 563.733 5.404 40 5 KKBBRN O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409177506 1072822487 /nfs/dbraw/zinc/82/24/87/1072822487.db2.gz BMBJZJRMLYLRBI-UHFFFAOYSA-N 0 0 520.335 6.948 40 5 KKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Br)c2cccnc12 ZINC000409177564 1072822935 /nfs/dbraw/zinc/82/29/35/1072822935.db2.gz ABXUFFJSQFZTNC-UHFFFAOYSA-N 0 0 550.365 6.160 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)sc2=N1 ZINC000409192363 1072825210 /nfs/dbraw/zinc/82/52/10/1072825210.db2.gz BFPXSDINMNFEAG-GJKZIJEQSA-N 0 0 745.283 6.578 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409192385 1072825475 /nfs/dbraw/zinc/82/54/75/1072825475.db2.gz BYVPTUBSHCZGTE-SELCLYCASA-N 0 0 763.729 7.853 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409192430 1072825605 /nfs/dbraw/zinc/82/56/05/1072825605.db2.gz XJTVXHIAUMLFCG-GOQPZEPVSA-N 0 0 783.719 7.580 40 5 KKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409196655 1072830259 /nfs/dbraw/zinc/83/02/59/1072830259.db2.gz QVTOFUFDQXGSPI-FYJGNVAPSA-N 0 0 593.452 5.715 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409196404 1072832223 /nfs/dbraw/zinc/83/22/23/1072832223.db2.gz ZXEHPRYRPPKGEB-XSTKMXAKSA-N 0 0 826.151 6.569 40 5 KKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000409196017 1072833468 /nfs/dbraw/zinc/83/34/68/1072833468.db2.gz YGAAUMHULGJNCZ-ZQZMGSETSA-N 0 0 667.093 7.390 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1CCc1ccccc1 ZINC000409195393 1072837677 /nfs/dbraw/zinc/83/76/77/1072837677.db2.gz IGWADVXEKQPVIJ-LPYMAVHISA-N 0 0 593.377 7.447 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409195038 1072839171 /nfs/dbraw/zinc/83/91/71/1072839171.db2.gz SQSMIAMMOOCWSN-FWWOIACNSA-N 0 0 815.717 7.104 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409194635 1072842514 /nfs/dbraw/zinc/84/25/14/1072842514.db2.gz QJVBLNWFYJIDSF-WWWKDLBZSA-N 0 0 748.718 6.748 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409193969 1072846109 /nfs/dbraw/zinc/84/61/09/1072846109.db2.gz JEXSQUWJJPVYPT-UHFFFAOYSA-N 0 0 536.220 6.710 40 5 KKBBRN O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409193761 1072848966 /nfs/dbraw/zinc/84/89/66/1072848966.db2.gz MECIPHXXYBDBGR-RGVLZGJSSA-N 0 0 718.694 7.277 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 ZINC000409193161 1072851577 /nfs/dbraw/zinc/85/15/77/1072851577.db2.gz DDWVZSBJVOBHOS-LPYMAVHISA-N 0 0 593.377 7.447 40 5 KKBBRN COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000409192639 1072853604 /nfs/dbraw/zinc/85/36/04/1072853604.db2.gz DCPWDCOKTBERTR-MZGCFZMMSA-N 0 0 549.333 5.329 40 5 KKBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409192535 1072854941 /nfs/dbraw/zinc/85/49/41/1072854941.db2.gz CIIBGRWIFNFXRZ-VPHSIRQSSA-N 0 0 750.690 6.264 40 5 KKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 ZINC000409192562 1072855231 /nfs/dbraw/zinc/85/52/31/1072855231.db2.gz YRVLTLMKADOXKW-JLKMOJGBSA-N 0 0 731.256 6.187 40 5 KKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409192111 1072857325 /nfs/dbraw/zinc/85/73/25/1072857325.db2.gz AHZRPNRJEXFIJV-ORAUUZGKSA-N 0 0 643.200 5.991 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409192021 1072858576 /nfs/dbraw/zinc/85/85/76/1072858576.db2.gz SLHQKXXTHYOOHU-PANBRXNZSA-N 0 0 799.674 6.816 40 5 KKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191792 1072859237 /nfs/dbraw/zinc/85/92/37/1072859237.db2.gz NJXDFLYYLFPMJE-CIAFOILYSA-N 0 0 592.798 6.673 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000409191539 1072861972 /nfs/dbraw/zinc/86/19/72/1072861972.db2.gz YPXOAEKFKLNOES-MFKUBSTISA-N 0 0 516.962 7.221 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409191214 1072863533 /nfs/dbraw/zinc/86/35/33/1072863533.db2.gz DMOXXFYKNXKPDZ-BUDNTJSZSA-N 0 0 830.570 7.501 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409190546 1072869562 /nfs/dbraw/zinc/86/95/62/1072869562.db2.gz ZGJZPUNMIGUDPM-KAEGSSFASA-N 0 0 758.644 7.164 40 5 KKBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409189886 1072872549 /nfs/dbraw/zinc/87/25/49/1072872549.db2.gz UNIHXAVMIXOWPI-ZMTYCLHQSA-N 0 0 770.680 7.034 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409189179 1072878012 /nfs/dbraw/zinc/87/80/12/1072878012.db2.gz DYWIPMNKBIHFES-ZMTYCLHQSA-N 0 0 840.178 6.959 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409188169 1072883729 /nfs/dbraw/zinc/88/37/29/1072883729.db2.gz BODJZYAUROKTLE-FAVIKPSQSA-N 0 0 785.691 7.096 40 5 KKBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409188038 1072884075 /nfs/dbraw/zinc/88/40/75/1072884075.db2.gz FGYQQHXDRJDDGU-SODCYNRPSA-N 0 0 800.706 7.042 40 5 KKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)c(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409188003 1072884163 /nfs/dbraw/zinc/88/41/63/1072884163.db2.gz FBVCXBWZNGASMI-ITNPZBTBSA-N 0 0 740.654 7.025 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409188065 1072884560 /nfs/dbraw/zinc/88/45/60/1072884560.db2.gz FPIULRIOAWKKOI-CIAFOILYSA-N 0 0 531.373 6.730 40 5 KKBBRN COCCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409207289 1072886786 /nfs/dbraw/zinc/88/67/86/1072886786.db2.gz RIBVBCKTXCXVJO-RQZCQDPDSA-N 0 0 547.305 5.851 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409206453 1072892318 /nfs/dbraw/zinc/89/23/18/1072892318.db2.gz JURITPZMPRZTQP-SRZZPIQSSA-N 0 0 640.452 5.413 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)o1 ZINC000409206013 1072894934 /nfs/dbraw/zinc/89/49/34/1072894934.db2.gz UOOYZKVDCYOTGZ-KEBDBYFISA-N 0 0 592.811 5.954 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205722 1072896629 /nfs/dbraw/zinc/89/66/29/1072896629.db2.gz SQSDCJCKXHXEAH-LSFURLLWSA-N 0 0 663.846 6.395 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409205505 1072897177 /nfs/dbraw/zinc/89/71/77/1072897177.db2.gz ODNQBOQLNJDFOW-UUASQNMZSA-N 0 0 531.171 5.339 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409204026 1072906686 /nfs/dbraw/zinc/90/66/86/1072906686.db2.gz BUFLKWZALUUPCU-WGOQTCKBSA-N 0 0 642.612 5.800 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409204115 1072907115 /nfs/dbraw/zinc/90/71/15/1072907115.db2.gz BIUBFHSMILGYET-AUEPDCJTSA-N 0 0 677.873 6.785 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409202084 1072915026 /nfs/dbraw/zinc/91/50/26/1072915026.db2.gz ZHHQMKQLRIXMKN-MYKKPKGFSA-N 0 0 625.888 6.689 40 5 KKBBRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201047 1072919678 /nfs/dbraw/zinc/91/96/78/1072919678.db2.gz NGTGDIPOGHOJHJ-UHFFFAOYSA-N 0 0 512.187 6.864 40 5 KKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409199581 1072925356 /nfs/dbraw/zinc/92/53/56/1072925356.db2.gz HTKHXJLPHSCUOT-KEBDBYFISA-N 0 0 576.812 6.254 40 5 KKBBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409199573 1072925472 /nfs/dbraw/zinc/92/54/72/1072925472.db2.gz HRCCXISQQPVLMX-WSVATBPTSA-N 0 0 572.810 5.797 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409199149 1072926935 /nfs/dbraw/zinc/92/69/35/1072926935.db2.gz HGXOYYGUKNRKRB-PCLIKHOPSA-N 0 0 612.586 5.791 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 ZINC000409198627 1072928322 /nfs/dbraw/zinc/92/83/22/1072928322.db2.gz ITOUVLLSUSUTDX-HYARGMPZSA-N 0 0 514.481 6.685 40 5 KKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409198026 1072933369 /nfs/dbraw/zinc/93/33/69/1072933369.db2.gz UXJYRMTUJNZVSK-LPKQHDGYSA-N 0 0 549.399 5.314 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409216665 1072945486 /nfs/dbraw/zinc/94/54/86/1072945486.db2.gz NNPRVOOGLFYNAM-WSDLNYQXSA-N 0 0 613.396 5.006 40 5 KKBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409227008 1072972065 /nfs/dbraw/zinc/97/20/65/1072972065.db2.gz XAOUWNLVEFCDGC-ZMOGYAJESA-N 0 0 583.416 5.864 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409226660 1072972558 /nfs/dbraw/zinc/97/25/58/1072972558.db2.gz QOJVNUMSPLMPQB-AFUMVMLFSA-N 0 0 597.443 6.254 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409226149 1072975568 /nfs/dbraw/zinc/97/55/68/1072975568.db2.gz SIYILJFFESZGPD-WYMPLXKRSA-N 0 0 585.997 6.040 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409224465 1072982239 /nfs/dbraw/zinc/98/22/39/1072982239.db2.gz LPLBUEGRFPHMJA-MFKUBSTISA-N 0 0 518.547 5.492 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000409224414 1072983882 /nfs/dbraw/zinc/98/38/82/1072983882.db2.gz JZWQTIQWCJQTTD-PXNMLYILSA-N 0 0 526.162 5.039 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)o1 ZINC000409223685 1072986730 /nfs/dbraw/zinc/98/67/30/1072986730.db2.gz HPGVEDFIAHITSG-SRZZPIQSSA-N 0 0 543.351 5.545 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000409222877 1072990214 /nfs/dbraw/zinc/99/02/14/1072990214.db2.gz YANULAZMNXMLOG-LPYMAVHISA-N 0 0 569.355 5.180 40 5 KKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000409222857 1072991674 /nfs/dbraw/zinc/99/16/74/1072991674.db2.gz XWNGPCAFMRUEFK-WSDLNYQXSA-N 0 0 695.251 5.784 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409221843 1072996567 /nfs/dbraw/zinc/99/65/67/1072996567.db2.gz VJUCOKYKZZWPPO-CIAFOILYSA-N 0 0 572.799 6.086 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409221283 1072999621 /nfs/dbraw/zinc/99/96/21/1072999621.db2.gz NYROROWLBKRMGF-ZVHZXABRSA-N 0 0 642.484 6.019 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409220679 1073002772 /nfs/dbraw/zinc/00/27/72/1073002772.db2.gz DEVLKIAPUVVUOI-FSJBWODESA-N 0 0 566.408 5.736 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217740 1073015423 /nfs/dbraw/zinc/01/54/23/1073015423.db2.gz AXINVGIJAJSIDD-ZMOGYAJESA-N 0 0 676.339 7.017 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccc(Br)cc1 ZINC000409217544 1073015617 /nfs/dbraw/zinc/01/56/17/1073015617.db2.gz DBPWDFKNEQWSOA-RGVLZGJSSA-N 0 0 513.325 5.537 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409229791 1073018675 /nfs/dbraw/zinc/01/86/75/1073018675.db2.gz VCFIWESDGKJSRU-RGVLZGJSSA-N 0 0 537.388 5.018 40 5 KKBBRN COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409229493 1073020323 /nfs/dbraw/zinc/02/03/23/1073020323.db2.gz PXTOMUWKUCHEDS-WOJGMQOQSA-N 0 0 680.258 5.456 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409229184 1073022281 /nfs/dbraw/zinc/02/22/81/1073022281.db2.gz KWBBLHBQAVZZTE-FSJBWODESA-N 0 0 630.448 6.149 40 5 KKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409235444 1073043783 /nfs/dbraw/zinc/04/37/83/1073043783.db2.gz QAIBBPWLGKGJJC-WSDLNYQXSA-N 0 0 695.251 5.784 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1Cl ZINC000409235198 1073046060 /nfs/dbraw/zinc/04/60/60/1073046060.db2.gz YWFGKSDMECGHBT-WSDLNYQXSA-N 0 0 649.850 6.107 40 5 KKBBRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409234640 1073049165 /nfs/dbraw/zinc/04/91/65/1073049165.db2.gz OHRUVWKSMSFMEJ-VXLYETTFSA-N 0 0 507.362 5.391 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409234209 1073052010 /nfs/dbraw/zinc/05/20/10/1073052010.db2.gz JAMWRFYIEZIMRT-FSJBWODESA-N 0 0 566.408 5.736 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl ZINC000409233326 1073056773 /nfs/dbraw/zinc/05/67/73/1073056773.db2.gz UYLQOJWNJSTXRX-SRZZPIQSSA-N 0 0 681.746 7.027 40 5 KKBBRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409231059 1073066821 /nfs/dbraw/zinc/06/68/21/1073066821.db2.gz HZGDWPXOUPODIN-SSDVNMTOSA-N 0 0 552.381 5.346 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409247104 1073071880 /nfs/dbraw/zinc/07/18/80/1073071880.db2.gz GGWJTFYWRYBCNJ-AUEPDCJTSA-N 0 0 616.421 5.759 40 5 KKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409244624 1073087160 /nfs/dbraw/zinc/08/71/60/1073087160.db2.gz GLCWHMHNUXAIEK-YDZHTSKRSA-N 0 0 569.401 5.574 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409244261 1073089571 /nfs/dbraw/zinc/08/95/71/1073089571.db2.gz AHGNRBFCLDECDV-SRZZPIQSSA-N 0 0 592.844 6.809 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409244100 1073090246 /nfs/dbraw/zinc/09/02/46/1073090246.db2.gz XREJIMJNKUZHJW-LPYMAVHISA-N 0 0 523.954 5.502 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409243445 1073092105 /nfs/dbraw/zinc/09/21/05/1073092105.db2.gz YRENIWPBOQGWPZ-YDZHTSKRSA-N 0 0 602.452 6.554 40 5 KKBBRN O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409241750 1073099863 /nfs/dbraw/zinc/09/98/63/1073099863.db2.gz UNEBVKFVDYTFBR-CVKSISIWSA-N 0 0 530.989 7.217 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409250040 1073137563 /nfs/dbraw/zinc/13/75/63/1073137563.db2.gz LAYNCQSAAIWPES-NUGSKGIGSA-N 0 0 634.411 5.898 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409249654 1073140809 /nfs/dbraw/zinc/14/08/09/1073140809.db2.gz KDRMLCLSPOBIEV-UHFFFAOYSA-N 0 0 586.823 5.301 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1Cl ZINC000409248721 1073146193 /nfs/dbraw/zinc/14/61/93/1073146193.db2.gz IDWZHIFWVXEVCT-SRZZPIQSSA-N 0 0 775.746 6.711 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409256663 1073155808 /nfs/dbraw/zinc/15/58/08/1073155808.db2.gz MTVAEHCOMYZCOH-FMCGGJTJSA-N 0 0 690.428 5.974 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409252676 1073185182 /nfs/dbraw/zinc/18/51/82/1073185182.db2.gz UOKKGYPCPNGHQL-UUYOSTAYSA-N 0 0 659.414 5.102 40 5 KKBBRN CCOc1c(I)cc(I)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409252748 1073186144 /nfs/dbraw/zinc/18/61/44/1073186144.db2.gz SSUCXXVETTWULB-CAOOACKPSA-N 0 0 664.215 5.122 40 5 KKBBRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409251937 1073189985 /nfs/dbraw/zinc/18/99/85/1073189985.db2.gz RFAUFEOGHOMBGM-YDZHTSKRSA-N 0 0 566.408 5.736 40 5 KKBBRN O=C(O[C@@H]1OC(COCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001560405387 1073194386 /nfs/dbraw/zinc/19/43/86/1073194386.db2.gz UMFOTMXQRKMRKJ-WEZIJMHWSA-N 0 0 567.594 6.339 40 5 KKBBRN CCOCCCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2ccc(Br)cc2)c1=O ZINC000006150799 1073202238 /nfs/dbraw/zinc/20/22/38/1073202238.db2.gz VKECSDHQVRGKQA-UHFFFAOYSA-N 0 0 506.404 5.035 40 5 KKBBRN CCOCCCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2ccc(Br)c(C)c2)c1=O ZINC000006150796 1073202253 /nfs/dbraw/zinc/20/22/53/1073202253.db2.gz KATZXQCOOGUFII-UHFFFAOYSA-N 0 0 520.431 5.344 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409263806 1073215903 /nfs/dbraw/zinc/21/59/03/1073215903.db2.gz CDMOCYPVMQMDDO-KSEXSDGBSA-N 0 0 632.876 6.273 40 5 KKBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409262800 1073220263 /nfs/dbraw/zinc/22/02/63/1073220263.db2.gz HLCUGPVFHDQEPM-ZMOGYAJESA-N 0 0 678.888 6.750 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409272278 1073256198 /nfs/dbraw/zinc/25/61/98/1073256198.db2.gz FSMXTWBDLWTQJK-VXLYETTFSA-N 0 0 503.319 6.081 40 5 KKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409272080 1073257391 /nfs/dbraw/zinc/25/73/91/1073257391.db2.gz LKSDXVFKVXKTHB-CIAFOILYSA-N 0 0 510.959 5.081 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409270878 1073267584 /nfs/dbraw/zinc/26/75/84/1073267584.db2.gz BGFFLJYRIGZILH-DJKKODMXSA-N 0 0 574.449 5.388 40 5 KKBBRN COc1c(Br)cc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409270649 1073268838 /nfs/dbraw/zinc/26/88/38/1073268838.db2.gz HWRXNAKCRWVGQK-FRKPEAEDSA-N 0 0 556.188 5.048 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409270118 1073272573 /nfs/dbraw/zinc/27/25/73/1073272573.db2.gz FVXUOSVHDCCZBU-SSDVNMTOSA-N 0 0 525.970 6.108 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409269279 1073279709 /nfs/dbraw/zinc/27/97/09/1073279709.db2.gz ANSACJKJXNQMHX-KEBDBYFISA-N 0 0 513.871 5.336 40 5 KKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409268902 1073281339 /nfs/dbraw/zinc/28/13/39/1073281339.db2.gz ZHXVIODOEFTFBA-LSHDLFTRSA-N 0 0 614.976 5.641 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409268102 1073287089 /nfs/dbraw/zinc/28/70/89/1073287089.db2.gz ZPKFGEIPEOPFSW-OYKKKHCWSA-N 0 0 659.458 5.852 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409276153 1073291438 /nfs/dbraw/zinc/29/14/38/1073291438.db2.gz OGCDVAIQPMNCMS-YOWYGEOISA-N 0 0 626.710 5.219 40 5 KKBBRN COC(=O)c1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000409275787 1073296191 /nfs/dbraw/zinc/29/61/91/1073296191.db2.gz WWPXANCVFJEJHF-SRZZPIQSSA-N 0 0 526.910 5.214 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409275833 1073296471 /nfs/dbraw/zinc/29/64/71/1073296471.db2.gz LUMSJVBUOMQAPQ-FOKLQQMPSA-N 0 0 573.410 6.408 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc(Cl)cc1 ZINC000409275808 1073296488 /nfs/dbraw/zinc/29/64/88/1073296488.db2.gz XDBIYJALKXGHDD-KEBDBYFISA-N 0 0 503.319 6.081 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409275373 1073300002 /nfs/dbraw/zinc/30/00/02/1073300002.db2.gz IXBXWCNMVGLWHT-ROTLSHHCSA-N 0 0 561.019 6.235 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409275230 1073301376 /nfs/dbraw/zinc/30/13/76/1073301376.db2.gz STFTWSOYSVUUHV-XKZIYDEJSA-N 0 0 534.550 5.083 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409275109 1073303161 /nfs/dbraw/zinc/30/31/61/1073303161.db2.gz YLPJHKBFVOZRMX-FSJBWODESA-N 0 0 587.835 6.509 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409274714 1073307073 /nfs/dbraw/zinc/30/70/73/1073307073.db2.gz WZFZPQOHOOBIQY-JVWAILMASA-N 0 0 573.627 5.194 40 5 KKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc(Cl)cc1 ZINC000409274656 1073307842 /nfs/dbraw/zinc/30/78/42/1073307842.db2.gz FLOXPDHEHFWELR-YDZHTSKRSA-N 0 0 508.939 5.746 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409274432 1073310434 /nfs/dbraw/zinc/31/04/34/1073310434.db2.gz WUXVEUVUCSMDSN-USDTVRPUSA-N 0 0 639.174 5.385 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409274177 1073312283 /nfs/dbraw/zinc/31/22/83/1073312283.db2.gz NHIDGUPXKQXHDH-DHRITJCHSA-N 0 0 598.033 5.910 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409274115 1073313055 /nfs/dbraw/zinc/31/30/55/1073313055.db2.gz BKMZTLFEILEDFA-HBMWKUFKSA-N 0 0 650.801 6.204 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409274246 1073313092 /nfs/dbraw/zinc/31/30/92/1073313092.db2.gz OBYCKBJZBPGFOA-RGVLZGJSSA-N 0 0 543.479 5.266 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409274157 1073313870 /nfs/dbraw/zinc/31/38/70/1073313870.db2.gz NBMGNLSNZYSHDH-DHRITJCHSA-N 0 0 547.589 5.474 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409273666 1073317681 /nfs/dbraw/zinc/31/76/81/1073317681.db2.gz KUHOFKFCSJKROO-CVKSISIWSA-N 0 0 561.616 5.864 40 5 KKBBRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409273711 1073317965 /nfs/dbraw/zinc/31/79/65/1073317965.db2.gz RNJICBSPRCGPQA-SSDVNMTOSA-N 0 0 569.935 5.877 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc21 ZINC000409273565 1073318902 /nfs/dbraw/zinc/31/89/02/1073318902.db2.gz JXXNLHUWGVJVMF-AFUMVMLFSA-N 0 0 593.539 7.234 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409272971 1073321184 /nfs/dbraw/zinc/32/11/84/1073321184.db2.gz ORACAZVTFLQQHQ-WSDLNYQXSA-N 0 0 560.993 5.574 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409276916 1073324907 /nfs/dbraw/zinc/32/49/07/1073324907.db2.gz XYNDVPJLNIVMRP-KEBDBYFISA-N 0 0 532.361 6.145 40 5 KKBBRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409276514 1073330000 /nfs/dbraw/zinc/33/00/00/1073330000.db2.gz SCBWIUBIVVORBX-QRVIBDJDSA-N 0 0 525.007 6.627 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409273214 1073335750 /nfs/dbraw/zinc/33/57/50/1073335750.db2.gz JEPGUWMYMGPSLY-IPAKXIGBSA-N 0 0 699.624 5.113 40 5 KKBBRN CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000100390401 193912775 /nfs/dbraw/zinc/91/27/75/193912775.db2.gz QGAMWNKSVGNEGX-DACRZHKXSA-N 0 0 558.974 6.099 40 5 KKBBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000408853093 195494906 /nfs/dbraw/zinc/49/49/06/195494906.db2.gz YNARQFIFCFCKPK-UNDLXJOSSA-N 0 0 641.105 6.094 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1NCc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1 ZINC000000812996 551543714 /nfs/dbraw/zinc/54/37/14/551543714.db2.gz IQRYXTMWOYMUOZ-UHFFFAOYSA-N 0 0 508.991 5.480 40 5 KKBBRN COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000900337 551564652 /nfs/dbraw/zinc/56/46/52/551564652.db2.gz RQVFDUYDTLZRCC-UHFFFAOYSA-N 0 0 553.044 5.797 40 5 KKBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccc(C)cc2)cc1 ZINC000000907312 551570129 /nfs/dbraw/zinc/57/01/29/551570129.db2.gz PWBFZPCVDRBUTR-UHFFFAOYSA-N 0 0 502.600 5.444 40 5 KKBBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000001416735 551666722 /nfs/dbraw/zinc/66/67/22/551666722.db2.gz MVGCTRPELILUJN-RQZCQDPDSA-N 0 0 511.339 5.080 40 5 KKBBRN CC(C)N(C(C)C)[P@](=O)(O[P@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000001555513 551684239 /nfs/dbraw/zinc/68/42/39/551684239.db2.gz QYSOTSPLJXOLFZ-FZNHDDJXSA-N 0 0 554.521 6.094 40 5 KKBBRN CC(C)(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000001838349 551713082 /nfs/dbraw/zinc/71/30/82/551713082.db2.gz PCGFEZDUQGUYOM-UHFFFAOYSA-N 0 0 595.391 7.574 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001848771 551715191 /nfs/dbraw/zinc/71/51/91/551715191.db2.gz ZMEJURDBZINYGU-CQSZACIVSA-N 0 0 539.013 6.705 40 5 KKBBRN COc1ccc(C(=O)[C@H](OC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001860146 551716854 /nfs/dbraw/zinc/71/68/54/551716854.db2.gz UGIKXRVHXPRISE-AREMUKBSSA-N 0 0 517.921 6.830 40 5 KKBBRN CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)sc2c1CCCC2 ZINC000002298071 552089799 /nfs/dbraw/zinc/08/97/99/552089799.db2.gz SEUNMLVUNCBRKA-ZHACJKMWSA-N 0 0 537.550 6.064 40 5 KKBBRN Cc1ccccc1Oc1cc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 ZINC000003139664 552294428 /nfs/dbraw/zinc/29/44/28/552294428.db2.gz WHLIWDQHTXRNEK-UHFFFAOYSA-N 0 0 540.483 6.133 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc([N+](=O)[O-])cc6)o5)cc4)cc3)o2)cc1 ZINC000003142750 552295065 /nfs/dbraw/zinc/29/50/65/552295065.db2.gz QRZIFHKERFMZKQ-UHFFFAOYSA-N 0 0 548.471 6.729 40 5 KKBBRN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc([N+](=O)[O-])c2)cc1 ZINC000003143189 552295795 /nfs/dbraw/zinc/29/57/95/552295795.db2.gz LFUDCIMDHBXFTN-UHFFFAOYSA-N 0 0 533.544 6.451 40 5 KKBBRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000003954777 552423960 /nfs/dbraw/zinc/42/39/60/552423960.db2.gz PCVSIMQAFWRUEC-JDXGNMNLSA-N 0 0 579.657 5.130 40 5 investigational KKBBRN CCOC(=O)/C(=C(/C)OC(=O)c1ccccc1)c1cc(/C(C(=O)OCC)=C(\C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004265500 552454534 /nfs/dbraw/zinc/45/45/34/552454534.db2.gz QMMDWKLQOPFQGC-RSSRHXQMSA-N 0 0 632.578 5.805 40 5 KKBBRN O=C1/C(=C\c2ccccc2)S[C@]2(SC(c3cccs3)=NN2c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000004293497 552457321 /nfs/dbraw/zinc/45/73/21/552457321.db2.gz PSPQSKYDILSWKF-OLIAQGHGSA-N 0 0 542.667 7.004 40 5 KKBBRN CC1(C)O[C@@H](C(SCc2ccccc2)SCc2ccccc2)[C@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000004991055 552491358 /nfs/dbraw/zinc/49/13/58/552491358.db2.gz FHVAEXJDMFGHSI-UODIDJSMSA-N 0 0 569.701 5.826 40 5 KKBBRN Cn1c2ccccc2c(=O)c2cc(NC(=O)CCCCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 ZINC000005615559 552505428 /nfs/dbraw/zinc/50/54/28/552505428.db2.gz ZFPLPVLZCCXDSZ-UHFFFAOYSA-N 0 0 558.638 5.834 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3[nH]c4ccccc4c3[C@H]3CC[C@@H](C(C)(C)C)C[C@@H]23)C1=O ZINC000005957604 552517568 /nfs/dbraw/zinc/51/75/68/552517568.db2.gz KJUKQSBCDHJAIR-CHMFPOLISA-N 0 0 501.583 5.918 40 5 KKBBRN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])c(N)c32)cc1 ZINC000006157176 552553120 /nfs/dbraw/zinc/55/31/20/552553120.db2.gz UPHQGCWYGCJODR-UHFFFAOYSA-N 0 0 526.574 6.390 40 5 KKBBRN CC1(C)C[C@H](n2c(=O)c3c(nc2SCc2ccc([N+](=O)[O-])cc2)-c2ccccc2CC32CCCC2)CCO1 ZINC000006232513 552571849 /nfs/dbraw/zinc/57/18/49/552571849.db2.gz LUWBBJRYDMGEHZ-HSZRJFAPSA-N 0 0 531.678 6.609 40 5 KKBBRN O=C(CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474707 552592800 /nfs/dbraw/zinc/59/28/00/552592800.db2.gz JAUPNLXCNOCQDY-UHFFFAOYSA-N 0 0 512.551 5.034 40 5 KKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000006600332 552602577 /nfs/dbraw/zinc/60/25/77/552602577.db2.gz BNFSJQGIPFEEHA-OAHLLOKOSA-N 0 0 544.699 6.279 40 5 KKBBRN CCOC(=O)CN(C(=O)CSc1nc(-c2ccc(F)cc2)nc2c(CC)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000006860471 552974500 /nfs/dbraw/zinc/97/45/00/552974500.db2.gz WUZKCQPLDTYILH-UHFFFAOYSA-N 0 0 548.596 5.595 40 5 KKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c4ccccc4ccc23)c(Br)c1 ZINC000008445950 553055305 /nfs/dbraw/zinc/05/53/05/553055305.db2.gz QOVCZZYWSBTBQO-UHFFFAOYSA-N 0 0 514.448 7.252 40 5 KKBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCc1c[nH]c2ccccc12 ZINC000008792354 553147733 /nfs/dbraw/zinc/14/77/33/553147733.db2.gz YNALEBZPGHPNGU-SFHVURJKSA-N 0 0 500.558 5.199 40 5 biogenic KKBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000008835657 553162335 /nfs/dbraw/zinc/16/23/35/553162335.db2.gz GTOLWNDWUGBLJJ-UHFFFAOYSA-N 0 0 500.536 5.163 40 5 KKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2cc(Cl)ccc2c1Cl ZINC000008894126 553177524 /nfs/dbraw/zinc/17/75/24/553177524.db2.gz CBFIPQOAVYRFKI-UHFFFAOYSA-N 0 0 509.421 6.367 40 5 KKBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)CC1 ZINC000008904409 553183447 /nfs/dbraw/zinc/18/34/47/553183447.db2.gz RERCKRUZYJZWLG-UHFFFAOYSA-N 0 0 521.426 5.673 40 5 KKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000008927193 553191782 /nfs/dbraw/zinc/19/17/82/553191782.db2.gz VFILCUMPYXSAII-RWLJTPHYSA-N 0 0 550.721 8.218 40 5 KKBBRN CC(C)(C)C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009009577 553199482 /nfs/dbraw/zinc/19/94/82/553199482.db2.gz JWJMOAGUGRHVMR-FVCFNFBRSA-N 0 0 521.573 5.183 40 5 KKBBRN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 ZINC000009313379 553241132 /nfs/dbraw/zinc/24/11/32/553241132.db2.gz NMHDINZUWSXCHF-ZXYZSCNASA-N 0 0 500.554 6.345 40 5 KKBBRN COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000009972887 553323314 /nfs/dbraw/zinc/32/33/14/553323314.db2.gz OKEKEYPKIHBUGT-UHFFFAOYSA-N 0 0 509.515 5.803 40 5 KKBBRN O=C(CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000012496403 553381878 /nfs/dbraw/zinc/38/18/78/553381878.db2.gz MRPSYXHAFJYMFJ-UHFFFAOYSA-N 0 0 523.018 5.425 40 5 KKBBRN C[C@H]1[C@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)CCC[C@@H]1C ZINC000012546354 553391418 /nfs/dbraw/zinc/39/14/18/553391418.db2.gz FZXVXSHYLHIXTC-QMTMVMCOSA-N 0 0 506.550 5.986 40 5 KKBBRN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000013633013 553478765 /nfs/dbraw/zinc/47/87/65/553478765.db2.gz CUNBUDHCRDCSLK-UHFFFAOYSA-N 0 0 511.409 5.427 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)ccc2Cl)cc1 ZINC000014154765 553504591 /nfs/dbraw/zinc/50/45/91/553504591.db2.gz WCBPQLKXAQTGOH-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000014273891 553506798 /nfs/dbraw/zinc/50/67/98/553506798.db2.gz YJUCVZFPBMWXHL-UHFFFAOYSA-N 0 0 504.524 5.119 40 5 KKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1C ZINC000014274109 553506980 /nfs/dbraw/zinc/50/69/80/553506980.db2.gz XJXWAWVZJSSBMW-UHFFFAOYSA-N 0 0 512.547 6.407 40 5 KKBBRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274351 553507305 /nfs/dbraw/zinc/50/73/05/553507305.db2.gz AAXMTMSSERIMCI-UHFFFAOYSA-N 0 0 515.595 5.829 40 5 KKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014275541 553508472 /nfs/dbraw/zinc/50/84/72/553508472.db2.gz OQXFJNLOOIJILW-UHFFFAOYSA-N 0 0 504.568 5.970 40 5 KKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000014277422 553510118 /nfs/dbraw/zinc/51/01/18/553510118.db2.gz NQCMKZNGEQHXMZ-ZZXKWVIFSA-N 0 0 506.773 6.177 40 5 KKBBRN Cc1cccc(Oc2ccc3noc4c3c2c2onc3c2c4c(Oc2cccc(C)c2)cc3N2CCCC2)c1 ZINC000015319291 553531799 /nfs/dbraw/zinc/53/17/99/553531799.db2.gz OXVQOPGZZBIZAZ-UHFFFAOYSA-N 0 0 515.569 8.515 40 5 KKBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016194519 553556293 /nfs/dbraw/zinc/55/62/93/553556293.db2.gz PVYJVOPSURUXQU-GORDUTHDSA-N 0 0 504.292 5.291 40 5 KKBBRN CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@@H]2CCCC[C@@H]12 ZINC000016682577 553572530 /nfs/dbraw/zinc/57/25/30/553572530.db2.gz YXEFIVSGCPRGED-YLJYHZDGSA-N 0 0 502.976 5.851 40 5 KKBBRN Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2cc3ccccc3c3ccccc32)cc1 ZINC000019319578 553613167 /nfs/dbraw/zinc/61/31/67/553613167.db2.gz ILRCCCMLZKMQGT-UHFFFAOYSA-N 0 0 511.496 8.707 40 5 in-vitro KKBBRN COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894542 553632041 /nfs/dbraw/zinc/63/20/41/553632041.db2.gz MNYKEGSAQKZAGW-UHFFFAOYSA-N 0 0 510.369 6.409 40 5 KKBBRN COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000020412584 553647199 /nfs/dbraw/zinc/64/71/99/553647199.db2.gz VDXYOOUIGCJNOY-UHFFFAOYSA-N 0 0 526.977 5.074 40 5 KKBBRN C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)N(CC)CC)c(CCC(=O)N(CC)CC)c4C)c(C)c3C=C ZINC000082186187 553675606 /nfs/dbraw/zinc/67/56/06/553675606.db2.gz XZPPEGWHVPCGON-UHFFFAOYSA-N 0 0 672.918 8.992 40 5 KKBBRN Brc1cc2ccc3ccccc3c2c2c1ccc1ccc3c(ccc4ccc5c(Br)cc6ccc7ccccc7c6c5c43)c12 ZINC000095100334 553698730 /nfs/dbraw/zinc/69/87/30/553698730.db2.gz VJKYUPBJARSTQY-UHFFFAOYSA-N 0 0 686.446 13.590 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021305742 553709441 /nfs/dbraw/zinc/70/94/41/553709441.db2.gz DNKCEVVTSHASND-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000021595704 553715001 /nfs/dbraw/zinc/71/50/01/553715001.db2.gz DDPFULOMCQKZJF-UHFFFAOYSA-N 0 0 514.586 5.524 40 5 KKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)nc2c1 ZINC000021596062 553715162 /nfs/dbraw/zinc/71/51/62/553715162.db2.gz MMZSHPFLQNMOAA-CQSZACIVSA-N 0 0 505.983 8.037 40 5 KKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)nc2c1 ZINC000021596063 553715164 /nfs/dbraw/zinc/71/51/64/553715164.db2.gz MMZSHPFLQNMOAA-AWEZNQCLSA-N 0 0 505.983 8.037 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000022825818 553752749 /nfs/dbraw/zinc/75/27/49/553752749.db2.gz WVBJGXYFNJNVTK-UHFFFAOYSA-N 0 0 502.600 5.415 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000022838920 553758140 /nfs/dbraw/zinc/75/81/40/553758140.db2.gz LKKHOKGTAYTBGN-UHFFFAOYSA-N 0 0 514.586 5.069 40 5 KKBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000022847442 553760641 /nfs/dbraw/zinc/76/06/41/553760641.db2.gz NLNOYWQJEFNWMU-UHFFFAOYSA-N 0 0 522.989 5.252 40 5 KKBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000024522509 553790825 /nfs/dbraw/zinc/79/08/25/553790825.db2.gz MDFAGFSWQBOYFQ-RRPNLBNLSA-N 0 0 502.567 6.438 40 5 KKBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000024522501 553790867 /nfs/dbraw/zinc/79/08/67/553790867.db2.gz MDFAGFSWQBOYFQ-SVBPBHIXSA-N 0 0 502.567 6.438 40 5 KKBBRN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000097954451 553823202 /nfs/dbraw/zinc/82/32/02/553823202.db2.gz JUHLQQJCOCXAQM-QKDODKLFSA-N 0 0 531.565 5.224 40 5 KKBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000097954463 553823576 /nfs/dbraw/zinc/82/35/76/553823576.db2.gz KEIOUNZRSOINTR-IARZGTGTSA-N 0 0 549.539 5.174 40 5 KKBBRN CC(=C\C=C/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C)/C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000032786176 553874832 /nfs/dbraw/zinc/87/48/32/553874832.db2.gz OENHQHLEOONYIE-CPHAUHQWSA-N 0 0 536.888 12.606 40 5 KKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000033680263 553967794 /nfs/dbraw/zinc/96/77/94/553967794.db2.gz AJESRQFHMUWDBQ-INIZCTEOSA-N 0 0 512.031 6.965 40 5 KKBBRN Cc1ccc(N(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000034657377 553981759 /nfs/dbraw/zinc/98/17/59/553981759.db2.gz INBSKBUAAJTFLE-MDKPJZGXSA-N 0 0 508.040 5.001 40 5 KKBBRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000097980171 553985848 /nfs/dbraw/zinc/98/58/48/553985848.db2.gz ZROFMDBZHNTQJE-ZHPYGUFWSA-N 0 0 575.496 7.939 40 5 KKBBRN CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097983834 554012320 /nfs/dbraw/zinc/01/23/20/554012320.db2.gz ZELOBQMLMCXUFI-VYEDMFTGSA-N 0 0 610.711 6.666 40 5 KKBBRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000098005237 554057786 /nfs/dbraw/zinc/05/77/86/554057786.db2.gz BLZKLVQHFDCCFS-UHFFFAOYSA-N 0 0 578.071 7.123 40 5 KKBBRN Cc1ccccc1-n1c(COc2ccc(Br)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000098005225 554057788 /nfs/dbraw/zinc/05/77/88/554057788.db2.gz UJDIJVBPTCZYMK-UHFFFAOYSA-N 0 0 539.411 5.800 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])nnc2-c2ccncc2)c(Br)c1 ZINC000098008153 554066674 /nfs/dbraw/zinc/06/66/74/554066674.db2.gz RLFSYBPPKJPTRS-UHFFFAOYSA-N 0 0 553.442 5.656 40 5 KKBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000098045422 554131548 /nfs/dbraw/zinc/13/15/48/554131548.db2.gz OHOHBRNZKSCGIR-JLNIMSJUSA-N 0 0 602.646 6.784 40 5 KKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@@H](c1ccc([C@@H]2Oc4nc5cc([N+](=O)[O-])ccc5nc4C2O)cc1)C3O ZINC000100134558 554226370 /nfs/dbraw/zinc/22/63/70/554226370.db2.gz IBFSQXGZNDUXCP-ZEQRLZLVSA-N 0 0 540.448 5.496 40 5 in-vitro KKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000100140599 554227674 /nfs/dbraw/zinc/22/76/74/554227674.db2.gz VQMMOCKGMSVSFM-UHFFFAOYSA-N 0 0 563.532 7.162 40 5 KKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000036628298 554228561 /nfs/dbraw/zinc/22/85/61/554228561.db2.gz MLDDLVRDUHLWDZ-UHFFFAOYSA-N 0 0 522.540 5.097 40 5 KKBBRN CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@@H]2C)cc1 ZINC000100159664 554234058 /nfs/dbraw/zinc/23/40/58/554234058.db2.gz RDGAWNMUPQWZPI-CQWZJQSXSA-N 0 0 573.693 8.001 40 5 KKBBRN Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100239251 554260042 /nfs/dbraw/zinc/26/00/42/554260042.db2.gz AVGYFSCQMANWHE-PCWGPIHSSA-N 0 0 543.620 5.146 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100250917 554262659 /nfs/dbraw/zinc/26/26/59/554262659.db2.gz VAVXZUQBBRJJHV-VPHSIRQSSA-N 0 0 601.681 5.371 40 5 KKBBRN 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RQTXRZFZSIDXKC-QTTRZTASSA-N 0 0 606.125 5.820 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000100339101 554323846 /nfs/dbraw/zinc/32/38/46/554323846.db2.gz MDCWBANDSYQTJH-MFKUBSTISA-N 0 0 547.589 5.556 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100340990 554325448 /nfs/dbraw/zinc/32/54/48/554325448.db2.gz GTSSGDKGHZKVES-YDZHTSKRSA-N 0 0 559.427 7.116 40 5 KKBBRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000100346374 554330206 /nfs/dbraw/zinc/33/02/06/554330206.db2.gz KQJUGYUJPUOGPA-SSEXGKCCSA-N 0 0 571.545 6.033 40 5 KKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 ZINC000100348084 554330500 /nfs/dbraw/zinc/33/05/00/554330500.db2.gz GXZJNQLBJYTECT-BKUYFWCQSA-N 0 0 525.995 6.074 40 5 KKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000100357942 554338454 /nfs/dbraw/zinc/33/84/54/554338454.db2.gz CFJXHBXURGSREV-UHFFFAOYSA-N 0 0 539.017 5.460 40 5 KKBBRN Cc1c(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cccc1[N+](=O)[O-] ZINC000100359445 554340688 /nfs/dbraw/zinc/34/06/88/554340688.db2.gz IXUVIXKREUPPCN-UHFFFAOYSA-N 0 0 578.160 6.331 40 5 KKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367131 554353244 /nfs/dbraw/zinc/35/32/44/554353244.db2.gz BWIHBWRGRXOARU-KSEXSDGBSA-N 0 0 549.586 5.458 40 5 KKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000057313104 554353988 /nfs/dbraw/zinc/35/39/88/554353988.db2.gz MQPWWEKOZMZSQB-JQIJEIRASA-N 0 0 515.529 6.702 40 5 KKBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)CC1 ZINC000057315778 554354531 /nfs/dbraw/zinc/35/45/31/554354531.db2.gz XDYOXQHSSROOCO-UHFFFAOYSA-N 0 0 507.399 5.427 40 5 KKBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000057315977 554354921 /nfs/dbraw/zinc/35/49/21/554354921.db2.gz HJYIWPXHGMVGRF-FMIVXFBMSA-N 0 0 508.962 5.219 40 5 KKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000100369393 554355554 /nfs/dbraw/zinc/35/55/54/554355554.db2.gz AEFWZKKDCRGBJO-IWIPYMOSSA-N 0 0 549.630 6.128 40 5 KKBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000100369904 554355930 /nfs/dbraw/zinc/35/59/30/554355930.db2.gz ZOFXMCYESDXYQO-JJFYIABZSA-N 0 0 574.467 7.036 40 5 KKBBRN CC1CCN(c2ccc(C(=O)N3CCN(c4c(F)c(F)c(Cl)c(F)c4F)CC3)cc2[N+](=O)[O-])CC1 ZINC000057317335 554356109 /nfs/dbraw/zinc/35/61/09/554356109.db2.gz ARQBIJZMBHJLER-UHFFFAOYSA-N 0 0 514.907 5.003 40 5 KKBBRN CCCCCCOC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000058519875 554364652 /nfs/dbraw/zinc/36/46/52/554364652.db2.gz ZHEHVZXPFVXKEY-LYGOBDSISA-N 0 0 537.616 5.606 40 5 in-vitro KKBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c32)CCCC4)CC1 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ZINC000059331629 554389910 /nfs/dbraw/zinc/38/99/10/554389910.db2.gz OOIPXEXFWIWQKT-UHFFFAOYSA-N 0 0 516.514 5.163 40 5 KKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cccc1[N+](=O)[O-] ZINC000059331785 554391462 /nfs/dbraw/zinc/39/14/62/554391462.db2.gz CMYLLLCFMZMKHQ-UHFFFAOYSA-N 0 0 524.046 5.006 40 5 KKBBRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000059331825 554391595 /nfs/dbraw/zinc/39/15/95/554391595.db2.gz BQCXUCZMZLVQNY-UHFFFAOYSA-N 0 0 520.973 6.269 40 5 KKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059331946 554392305 /nfs/dbraw/zinc/39/23/05/554392305.db2.gz ZSGGJDBCKTUCCP-UHFFFAOYSA-N 0 0 520.929 5.316 40 5 KKBBRN O=C(CSC(=S)N1CCCC1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059364922 554392918 /nfs/dbraw/zinc/39/29/18/554392918.db2.gz MLJRYUZBLDVQQU-UHFFFAOYSA-N 0 0 504.684 5.549 40 5 KKBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000059474647 554396715 /nfs/dbraw/zinc/39/67/15/554396715.db2.gz YBTCZLVTPMFSHO-UHFFFAOYSA-N 0 0 508.575 5.078 40 5 KKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)CC1 ZINC000059825776 554432161 /nfs/dbraw/zinc/43/21/61/554432161.db2.gz WXJCKGYLLFAAEX-UHFFFAOYSA-N 0 0 529.018 5.364 40 5 KKBBRN COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059882928 554459216 /nfs/dbraw/zinc/45/92/16/554459216.db2.gz ALGCQAJPYPHFKN-UHFFFAOYSA-N 0 0 593.683 5.738 40 5 KKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000059883662 554460820 /nfs/dbraw/zinc/46/08/20/554460820.db2.gz VZXAFCVIPVMXLX-XIEYBQDHSA-N 0 0 548.020 6.537 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000059884468 554462784 /nfs/dbraw/zinc/46/27/84/554462784.db2.gz AUTOVORYWQEWQK-UHFFFAOYSA-N 0 0 554.477 5.147 40 5 KKBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4C)O[C@@H]3C1=O)CCCC2 ZINC000100799393 554474156 /nfs/dbraw/zinc/47/41/56/554474156.db2.gz GAKOOUXIFVPRHC-DSITVLBTSA-N 0 0 561.616 5.071 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059953627 554484173 /nfs/dbraw/zinc/48/41/73/554484173.db2.gz QVWXWMMCNGAYGU-UHFFFAOYSA-N 0 0 558.827 5.706 40 5 KKBBRN O=c1sc2c(n1-c1ccccc1)S[C@@H]1[C@H]([C@@H]3CC[C@H]1C3)[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000100872064 554500277 /nfs/dbraw/zinc/50/02/77/554500277.db2.gz RIYNVJGXIKZELI-PARVHPLESA-N 0 0 577.127 7.692 40 5 KKBBRN CC(C)(C)N(C(=O)OCc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000064219758 554510864 /nfs/dbraw/zinc/51/08/64/554510864.db2.gz QQVHIIKQSAHFLH-RUZDIDTESA-N 0 0 506.555 5.392 40 5 KKBBRN COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)N(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000068568492 554539204 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657.960 5.231 40 5 KKBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 ZINC000105025541 571389705 /nfs/dbraw/zinc/38/97/05/571389705.db2.gz PAZPBQWKYBJKJL-UHFFFAOYSA-N 0 0 553.015 5.260 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222729831 571390447 /nfs/dbraw/zinc/39/04/47/571390447.db2.gz MORNQFPHBQBAPE-QFIPXVFZSA-N 0 0 645.178 5.401 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222744419 571392280 /nfs/dbraw/zinc/39/22/80/571392280.db2.gz HMORPQPSLCPLFL-DEOSSOPVSA-N 0 0 546.476 5.521 40 5 KKBBRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000105302742 571392654 /nfs/dbraw/zinc/39/26/54/571392654.db2.gz GMXWTHFKWRPOQV-UHFFFAOYSA-N 0 0 532.792 8.139 40 5 KKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cc(Br)ccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000105302789 571392691 /nfs/dbraw/zinc/39/26/91/571392691.db2.gz 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CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223292404 571456109 /nfs/dbraw/zinc/45/61/09/571456109.db2.gz QEIZCXCRQSXGDY-HXUWFJFHSA-N 0 0 621.543 5.431 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000147937014 571456898 /nfs/dbraw/zinc/45/68/98/571456898.db2.gz TYFXHMRRXLKSBT-QHCPKHFHSA-N 0 0 579.708 5.496 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223319436 571459895 /nfs/dbraw/zinc/45/98/95/571459895.db2.gz INBDFKVJTUMUKQ-FIPFOOKPSA-N 0 0 533.694 5.691 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223325817 571460776 /nfs/dbraw/zinc/46/07/76/571460776.db2.gz OXLFLTJQWBPIHS-SSEXGKCCSA-N 0 0 635.142 5.220 40 5 KKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223335161 571462035 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O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](n2c(=O)oc3c2cc([N+](=O)[O-])cc3Cl)OC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369791 571465584 /nfs/dbraw/zinc/46/55/84/571465584.db2.gz WEAGHRCJBNUSEH-HDUOHBRYSA-N 0 0 659.003 5.362 40 5 KKBBRN O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl ZINC000150377882 571466635 /nfs/dbraw/zinc/46/66/35/571466635.db2.gz ZKRPKVLLGLFBDB-JXUBOQSCSA-N 0 0 773.591 10.872 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223371087 571466905 /nfs/dbraw/zinc/46/69/05/571466905.db2.gz LNOWILHVDUCJTH-PMERELPUSA-N 0 0 635.142 5.220 40 5 KKBBRN CC(C)[C@H](NC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000150383061 571467549 /nfs/dbraw/zinc/46/75/49/571467549.db2.gz JVADZRVXECAVKU-ZJJOJAIXSA-N 0 0 728.937 6.884 40 5 KKBBRN CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] ZINC000150383088 571467567 /nfs/dbraw/zinc/46/75/67/571467567.db2.gz ZQGXUHFEYQBNHR-LQFQNGICSA-N 0 0 776.981 7.471 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223375451 571467639 /nfs/dbraw/zinc/46/76/39/571467639.db2.gz AAFULMBRNBGUPP-QDPGVEIFSA-N 0 0 533.694 5.691 40 5 KKBBRN CC(C)c1ccc(C2=N/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C(=O)O2)cc1 ZINC000150384122 571468126 /nfs/dbraw/zinc/46/81/26/571468126.db2.gz TXSOGNHJYAQBDX-QRVIBDJDSA-N 0 0 694.263 6.851 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150384338 571468255 /nfs/dbraw/zinc/46/82/55/571468255.db2.gz HRDLVRRBEQDLGF-UHFFFAOYSA-N 0 0 632.975 6.117 40 5 KKBBRN O=[N+]([O-])c1ccc(-c2cnc(Nc3ccc(Cc4ccc(Nc5ncc(-c6ccc([N+](=O)[O-])cc6)s5)c(Cl)c4)cc3Cl)s2)cc1 ZINC000150386146 571469245 /nfs/dbraw/zinc/46/92/45/571469245.db2.gz CSDIICWPSHLROK-UHFFFAOYSA-N 0 0 675.579 10.135 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223385554 571469338 /nfs/dbraw/zinc/46/93/38/571469338.db2.gz PICLZVMNNAQWMS-HXUWFJFHSA-N 0 0 621.543 5.431 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223394363 571470787 /nfs/dbraw/zinc/47/07/87/571470787.db2.gz APXMWRPEKZANLC-GUZYMRFCSA-N 0 0 686.831 5.970 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223398214 571471393 /nfs/dbraw/zinc/47/13/93/571471393.db2.gz UPKNRKUIYOPUEA-NDOVKIIASA-N 0 0 721.276 6.624 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000150389778 571471952 /nfs/dbraw/zinc/47/19/52/571471952.db2.gz CIJFFYXEZLAHLO-AUTFUCJRSA-N 0 0 688.940 5.400 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150391883 571474186 /nfs/dbraw/zinc/47/41/86/571474186.db2.gz WJRVBGKMNRCLEM-OINPTKSXSA-N 0 0 686.540 5.875 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150391881 571474192 /nfs/dbraw/zinc/47/41/92/571474192.db2.gz WJRVBGKMNRCLEM-FWESEHMYSA-N 0 0 686.540 5.875 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000150392474 571474496 /nfs/dbraw/zinc/47/44/96/571474496.db2.gz JKTHNKUOOZRZQA-WGJPBTIMSA-N 0 0 653.713 5.917 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000150394725 571475612 /nfs/dbraw/zinc/47/56/12/571475612.db2.gz QHXMMTBEONOFLB-QZVQSRICSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000150394727 571475690 /nfs/dbraw/zinc/47/56/90/571475690.db2.gz QHXMMTBEONOFLB-JOHYPREOSA-N 0 0 647.709 5.431 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150394682 571475692 /nfs/dbraw/zinc/47/56/92/571475692.db2.gz MJVAXSQFHLJMMC-FWESEHMYSA-N 0 0 642.089 5.766 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150394616 571475693 /nfs/dbraw/zinc/47/56/93/571475693.db2.gz HKVBZAIICHSSOQ-FQWZWQHVSA-N 0 0 674.504 6.005 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150395555 571475997 /nfs/dbraw/zinc/47/59/97/571475997.db2.gz ALARXRHZPJRROL-KUSDHMTMSA-N 0 0 637.739 6.134 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150395696 571476197 /nfs/dbraw/zinc/47/61/97/571476197.db2.gz PTJVGJKGLLHLTP-KUSDHMTMSA-N 0 0 637.670 5.121 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000150396278 571476399 /nfs/dbraw/zinc/47/63/99/571476399.db2.gz ISYHVODAALJANU-JOHYPREOSA-N 0 0 649.725 6.236 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000150396543 571476548 /nfs/dbraw/zinc/47/65/48/571476548.db2.gz NAXYBVRNEIDQAF-KUSDHMTMSA-N 0 0 637.739 6.134 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150396757 571476674 /nfs/dbraw/zinc/47/66/74/571476674.db2.gz WVLPIJZOJONSMV-POKSHJSXSA-N 0 0 637.670 5.121 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223438948 571476717 /nfs/dbraw/zinc/47/67/17/571476717.db2.gz MVAAUTYWSRRLLU-ZORMNXRFSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223454986 571479059 /nfs/dbraw/zinc/47/90/59/571479059.db2.gz JPVQFCNWWDDWFR-NDOVKIIASA-N 0 0 721.276 6.624 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224118874 571479775 /nfs/dbraw/zinc/47/97/75/571479775.db2.gz VJGXQAOCAYXTJP-YTTGMZPUSA-N 0 0 628.751 5.265 40 5 KKBBRN O=C(Oc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(-c2ccccc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000150409207 571481316 /nfs/dbraw/zinc/48/13/16/571481316.db2.gz SOTRXGOGZAEONH-UHFFFAOYSA-N 0 0 668.614 9.193 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)o1 ZINC000224146634 571485960 /nfs/dbraw/zinc/48/59/60/571485960.db2.gz HHDGKRXRCXNLAO-LODYVVOKSA-N 0 0 618.159 7.571 40 5 KKBBRN Cc1ccc(Oc2ccc3c4c2cccc4C(=O)N(N2C(=O)c4cccc5c(Oc6ccc(C)cc6[N+](=O)[O-])ccc(c54)C2=O)C3=O)c([N+](=O)[O-])c1 ZINC000150417700 571486272 /nfs/dbraw/zinc/48/62/72/571486272.db2.gz DMNMPUVUOYAVCX-UHFFFAOYSA-N 0 0 694.612 7.818 40 5 KKBBRN C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 ZINC000224150160 571486829 /nfs/dbraw/zinc/48/68/29/571486829.db2.gz ZCUHWIAVXUBRDS-BLQAFSTQSA-N 0 0 588.133 7.563 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223496002 571486925 /nfs/dbraw/zinc/48/69/25/571486925.db2.gz YCGYYNIHBFQFTB-ZOYWYXQUSA-N 0 0 663.196 5.998 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223495948 571487002 /nfs/dbraw/zinc/48/70/02/571487002.db2.gz YCGYYNIHBFQFTB-NLGDKJDOSA-N 0 0 663.196 5.998 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224163122 571488896 /nfs/dbraw/zinc/48/88/96/571488896.db2.gz HQPSDYBJHCZFAS-WJOKGBTCSA-N 0 0 649.169 5.610 40 5 KKBBRN O=C1CCCCCCCC(=O)Nc2ccc3nc4ccccc4c(c3c2)SCCCCCCCCCSc2c3ccccc3nc3ccc(cc32)N1 ZINC000150424879 571489565 /nfs/dbraw/zinc/48/95/65/571489565.db2.gz UXKMJARRQVVROM-UHFFFAOYSA-N 0 0 729.028 12.326 40 5 KKBBRN O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000150427158 571491399 /nfs/dbraw/zinc/49/13/99/571491399.db2.gz ZMKQXKHGOTXVSE-ZXHXELASSA-N 0 0 690.676 7.112 40 5 KKBBRN Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224196122 571494455 /nfs/dbraw/zinc/49/44/55/571494455.db2.gz LBTAXCNVFRIPDC-MHZLTWQESA-N 0 0 533.694 5.691 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150436127 571496087 /nfs/dbraw/zinc/49/60/87/571496087.db2.gz PYQDGKVMZBUJJC-QRVIBDJDSA-N 0 0 650.878 7.067 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223546589 571499088 /nfs/dbraw/zinc/49/90/88/571499088.db2.gz HHBSGKILHPPXCI-FNZWTVRRSA-N 0 0 508.018 5.346 40 5 KKBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223548612 571499323 /nfs/dbraw/zinc/49/93/23/571499323.db2.gz NDOVHZLZYYGXPA-RUZDIDTESA-N 0 0 570.509 5.367 40 5 KKBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000150449910 571502185 /nfs/dbraw/zinc/50/21/85/571502185.db2.gz WHUILLXMHGBPRO-QKDODKLFSA-N 0 0 650.463 5.176 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000150466042 571507938 /nfs/dbraw/zinc/50/79/38/571507938.db2.gz VSXAQKGAMBOXCV-BKUYFWCQSA-N 0 0 648.329 7.334 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224260380 571508575 /nfs/dbraw/zinc/50/85/75/571508575.db2.gz HVFYBJVWKOXWPJ-PMERELPUSA-N 0 0 636.771 5.282 40 5 KKBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223601539 571511221 /nfs/dbraw/zinc/51/12/21/571511221.db2.gz DPXBQMQUNKNNMB-PMERELPUSA-N 0 0 669.587 5.873 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223642467 571519183 /nfs/dbraw/zinc/51/91/83/571519183.db2.gz DVZCMILBCXBLQJ-RXFWQSSRSA-N 0 0 554.043 5.190 40 5 KKBBRN O=C(Nc1ccc(Oc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000150572979 571521469 /nfs/dbraw/zinc/52/14/69/571521469.db2.gz VRNOAXNQIUGPPC-UHFFFAOYSA-N 0 0 636.543 7.756 40 5 KKBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224322258 571521681 /nfs/dbraw/zinc/52/16/81/571521681.db2.gz NVVTUZPVJCPQCA-HXUWFJFHSA-N 0 0 621.543 5.286 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150584477 571521792 /nfs/dbraw/zinc/52/17/92/571521792.db2.gz LENPKVFWAPTAOF-WQNUKSJVSA-N 0 0 723.558 5.273 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224324964 571522157 /nfs/dbraw/zinc/52/21/57/571522157.db2.gz XIXCMLSLAKJNKT-VWLOTQADSA-N 0 0 508.018 5.346 40 5 KKBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224328900 571522887 /nfs/dbraw/zinc/52/28/87/571522887.db2.gz PZMYNQALAQLPRU-HKBQPEDESA-N 0 0 663.196 5.998 40 5 KKBBRN Cc1ccc(C(=O)Nc2sc(-c3cc4c(nc5ccccn5c4=O)n(CCc4ccccc4)c3=N)nc2-c2ccc(Cl)cc2)cc1 ZINC000150613406 571523018 /nfs/dbraw/zinc/52/30/18/571523018.db2.gz ROTBTWGGOSMDAA-UHFFFAOYSA-N 0 0 643.172 7.376 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150626359 571523682 /nfs/dbraw/zinc/52/36/82/571523682.db2.gz BJKKCJONQIRUNW-YLVTVWEBSA-N 0 0 773.387 5.011 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224333185 571523825 /nfs/dbraw/zinc/52/38/25/571523825.db2.gz HHZQFCFGRVPWQL-MUUNZHRXSA-N 0 0 613.136 5.310 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223675999 571524889 /nfs/dbraw/zinc/52/48/89/571524889.db2.gz GVPJBIXSUWGWII-GDLZYMKVSA-N 0 0 624.760 5.139 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224337861 571525261 /nfs/dbraw/zinc/52/52/61/571525261.db2.gz OJOVLTXWLRNXIR-HKBQPEDESA-N 0 0 632.714 5.096 40 5 KKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000224351450 571528288 /nfs/dbraw/zinc/52/82/88/571528288.db2.gz AWHLQNRDGNORLO-FTJBHMTQSA-N 0 0 500.580 5.998 40 5 KKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000224351539 571528426 /nfs/dbraw/zinc/52/84/26/571528426.db2.gz AWHLQNRDGNORLO-CLJLJLNGSA-N 0 0 500.580 5.998 40 5 KKBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224358179 571529391 /nfs/dbraw/zinc/52/93/91/571529391.db2.gz XSPLWYNFLCWKGF-FQEVSTJZSA-N 0 0 621.543 5.286 40 5 KKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000161915008 571531399 /nfs/dbraw/zinc/53/13/99/571531399.db2.gz QCIWZYILXOQTCY-UHFFFAOYSA-N 0 0 627.464 6.125 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223713754 571531456 /nfs/dbraw/zinc/53/14/56/571531456.db2.gz HNGLURHBWJBVPF-KDYSTLNUSA-N 0 0 537.657 5.522 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224373093 571532567 /nfs/dbraw/zinc/53/25/67/571532567.db2.gz WSVQGPBFDKJLDM-VWLOTQADSA-N 0 0 538.442 5.066 40 5 KKBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000163218147 571533351 /nfs/dbraw/zinc/53/33/51/571533351.db2.gz JVIDSCXPJVORQQ-SOJUGJLBSA-N 0 0 790.446 7.461 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000163225711 571533416 /nfs/dbraw/zinc/53/34/16/571533416.db2.gz XPKKMYVVRHQSQM-YXDQGSNCSA-N 0 0 658.914 5.391 40 5 KKBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163224353 571533516 /nfs/dbraw/zinc/53/35/16/571533516.db2.gz KGIUQZGULDXTNC-HZHHUVPKSA-N 0 0 650.554 6.568 40 5 KKBBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000163228268 571533617 /nfs/dbraw/zinc/53/36/17/571533617.db2.gz YBAUQKNOFFVEHG-AMQCUNCASA-N 0 0 680.580 6.577 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000163254417 571534141 /nfs/dbraw/zinc/53/41/41/571534141.db2.gz MLQXPJWOULTMMF-WKIZKNSPSA-N 0 0 631.710 5.823 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163276557 571534684 /nfs/dbraw/zinc/53/46/84/571534684.db2.gz AIOKPPIGFLRHKI-YPCWPJDZSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163276806 571534711 /nfs/dbraw/zinc/53/47/11/571534711.db2.gz XNCUQPMSTBCVLW-SXDQJOKOSA-N 0 0 662.680 5.945 40 5 KKBBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163280660 571534789 /nfs/dbraw/zinc/53/47/89/571534789.db2.gz ICPFDOCBCXAIGP-MMPQDEBWSA-N 0 0 692.706 5.953 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224388324 571535788 /nfs/dbraw/zinc/53/57/88/571535788.db2.gz JNBUCTZRDZJUGX-HHHXNRCGSA-N 0 0 675.179 5.766 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)sc2=N1 ZINC000163467067 571535829 /nfs/dbraw/zinc/53/58/29/571535829.db2.gz RRMRVBRSCYUVPR-IMUCPKNRSA-N 0 0 783.539 7.714 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2=N1 ZINC000163468750 571535984 /nfs/dbraw/zinc/53/59/84/571535984.db2.gz AAUZVHGSRHKBSO-WOSHRIRTSA-N 0 0 639.730 5.829 40 5 KKBBRN CCc1ccc(C2(c3ccc(CC)cc3)S[C@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000163487857 571536101 /nfs/dbraw/zinc/53/61/01/571536101.db2.gz SFRJXOUAYVGDFZ-KXQOOQHDSA-N 0 0 641.818 9.318 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163537548 571536526 /nfs/dbraw/zinc/53/65/26/571536526.db2.gz SVQFVFWVVNVVLU-PSAPEEBNSA-N 0 0 666.643 5.683 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163625598 571538142 /nfs/dbraw/zinc/53/81/42/571538142.db2.gz MSJDKWIKKVZDKV-RWTNITNYSA-N 0 0 801.819 7.006 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000163630571 571538283 /nfs/dbraw/zinc/53/82/83/571538283.db2.gz GMDKXKGKDAXEKB-QUNTYYFUSA-N 0 0 694.560 5.065 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000163691992 571540445 /nfs/dbraw/zinc/54/04/45/571540445.db2.gz ZLIBGNIBQGCLRX-FUFNRSNVSA-N 0 0 664.534 5.057 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163708111 571541083 /nfs/dbraw/zinc/54/10/83/571541083.db2.gz SSQKEJYNACMXCV-MFCBUNOESA-N 0 0 632.676 5.129 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224415794 571541505 /nfs/dbraw/zinc/54/15/05/571541505.db2.gz QAQVLUKBCQAGOK-RUZDIDTESA-N 0 0 538.442 5.066 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163713577 571541531 /nfs/dbraw/zinc/54/15/31/571541531.db2.gz XIVWDPHSCFVUAU-IGSNNMATSA-N 0 0 712.853 7.553 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223771906 571541578 /nfs/dbraw/zinc/54/15/78/571541578.db2.gz XVLLAVHWICLEDR-AREMUKBSSA-N 0 0 679.623 6.138 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163734178 571542214 /nfs/dbraw/zinc/54/22/14/571542214.db2.gz GQFLWUQCWWQAAW-NXYYLBPMSA-N 0 0 714.594 6.210 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223776392 571542266 /nfs/dbraw/zinc/54/22/66/571542266.db2.gz MKFGYHHLIAUUPE-NLGDKJDOSA-N 0 0 707.647 6.107 40 5 KKBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163737423 571542365 /nfs/dbraw/zinc/54/23/65/571542365.db2.gz OHZMIGFURRVOLH-GJFKPFFXSA-N 0 0 674.053 5.490 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163745644 571542503 /nfs/dbraw/zinc/54/25/03/571542503.db2.gz MRWAYQKSJVOUOX-MHLAHEJPSA-N 0 0 746.845 7.993 40 5 KKBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000163751215 571542700 /nfs/dbraw/zinc/54/27/00/571542700.db2.gz HFGGCGSMJACMEX-QARYAGPDSA-N 0 0 695.504 5.178 40 5 KKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000223778888 571542718 /nfs/dbraw/zinc/54/27/18/571542718.db2.gz MFIOJUALBKJLBQ-RPBOFIJWSA-N 0 0 502.552 5.444 40 5 KKBBRN O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000163768346 571543025 /nfs/dbraw/zinc/54/30/25/571543025.db2.gz QDQCIDXOXSSIAI-OIUASMPBSA-N 0 0 647.625 5.836 40 5 KKBBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000163773717 571543156 /nfs/dbraw/zinc/54/31/56/571543156.db2.gz NMTPQKSCKAGCGF-GEYGMGCISA-N 0 0 680.580 6.577 40 5 KKBBRN C[C@@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000163936216 571543592 /nfs/dbraw/zinc/54/35/92/571543592.db2.gz AVMMTHFOWFBPDJ-DWXRJYCRSA-N 0 0 717.612 10.066 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)cc2s1 ZINC000164035437 571544094 /nfs/dbraw/zinc/54/40/94/571544094.db2.gz SVHFKCPOHXVCCH-UHFFFAOYSA-N 0 0 701.877 7.876 40 5 KKBBRN COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000164107998 571544260 /nfs/dbraw/zinc/54/42/60/571544260.db2.gz VTOPGVNVPSXZQN-ITIZVALFSA-N 0 0 747.352 5.445 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2=N1 ZINC000164176604 571544288 /nfs/dbraw/zinc/54/42/88/571544288.db2.gz NLQYNZJCVIQWRE-FUFNRSNVSA-N 0 0 682.549 5.526 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224430899 571544360 /nfs/dbraw/zinc/54/43/60/571544360.db2.gz WKVPYASKZJFYSN-WJOKGBTCSA-N 0 0 646.741 5.484 40 5 KKBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224431537 571544478 /nfs/dbraw/zinc/54/44/78/571544478.db2.gz HEKBVCQUUPETQM-XIFFEERXSA-N 0 0 737.673 6.036 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)sc2=N1 ZINC000164180903 571544455 /nfs/dbraw/zinc/54/44/55/571544455.db2.gz YWWFHYFUGVPPQC-BXMULHQWSA-N 0 0 783.610 5.976 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224431379 571544540 /nfs/dbraw/zinc/54/45/40/571544540.db2.gz POUZKIDOQCLPSH-HHHXNRCGSA-N 0 0 726.079 6.934 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)sc2=N1 ZINC000164186673 571544611 /nfs/dbraw/zinc/54/46/11/571544611.db2.gz VYPBAKSCKUTBKY-FJNIOPPGSA-N 0 0 674.688 5.204 40 5 KKBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000164207234 571545145 /nfs/dbraw/zinc/54/51/45/571545145.db2.gz MBRVDSBYFABGCW-ZCWBPALNSA-N 0 0 672.543 6.071 40 5 KKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223803449 571547349 /nfs/dbraw/zinc/54/73/49/571547349.db2.gz BMOHPWSHNKHVCV-HHHXNRCGSA-N 0 0 601.125 5.167 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000164515540 571549099 /nfs/dbraw/zinc/54/90/99/571549099.db2.gz MQTSXWYJQJMWQC-WAHKBFHJSA-N 0 0 661.736 5.822 40 5 KKBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164552794 571549830 /nfs/dbraw/zinc/54/98/30/571549830.db2.gz SZSZHIUSYYTUJQ-JOHYPREOSA-N 0 0 803.631 6.045 40 5 KKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000164763338 571550927 /nfs/dbraw/zinc/55/09/27/571550927.db2.gz QBXMFGRTSMDMNJ-UHFFFAOYSA-N 0 0 645.191 8.129 40 5 KKBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1C ZINC000164763896 571550991 /nfs/dbraw/zinc/55/09/91/571550991.db2.gz NNRYKQOMKFTGES-UHFFFAOYSA-N 0 0 668.826 8.004 40 5 KKBBRN CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164809316 571551262 /nfs/dbraw/zinc/55/12/62/571551262.db2.gz RJZIANNDRLQWBE-UHFFFAOYSA-N 0 0 644.522 6.351 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223810889 571551455 /nfs/dbraw/zinc/55/14/55/571551455.db2.gz OIYKMWYCQXADMX-QHCPKHFHSA-N 0 0 657.189 5.545 40 5 KKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000167678603 571552974 /nfs/dbraw/zinc/55/29/74/571552974.db2.gz WJRMBHMPALGVQF-JOCHJYFZSA-N 0 0 565.681 5.188 40 5 KKBBRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224484883 571557152 /nfs/dbraw/zinc/55/71/52/571557152.db2.gz JQELONBKJXIBRT-VWLOTQADSA-N 0 0 607.516 5.040 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223834167 571558640 /nfs/dbraw/zinc/55/86/40/571558640.db2.gz ZUHNQRBHMAWLCY-SANMLTNESA-N 0 0 714.068 6.791 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223841170 571559846 /nfs/dbraw/zinc/55/98/46/571559846.db2.gz LUUYSABRLCZAJN-AFMDSPMNSA-N 0 0 588.488 5.844 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224502725 571561977 /nfs/dbraw/zinc/56/19/77/571561977.db2.gz KYHKNSRWJQXRFQ-WJOKGBTCSA-N 0 0 683.614 6.263 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223855700 571562401 /nfs/dbraw/zinc/56/24/01/571562401.db2.gz RHYYLDDNVRUECO-CCLHPLFOSA-N 0 0 588.557 6.690 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223862665 571563866 /nfs/dbraw/zinc/56/38/66/571563866.db2.gz WRRNZRGAQRDUCU-GPNASLBKSA-N 0 0 697.641 6.652 40 5 KKBBRN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197746569 571564393 /nfs/dbraw/zinc/56/43/93/571564393.db2.gz YYNLVZCYNOTWAS-JAYSWQADSA-N 0 0 558.457 5.298 40 5 KKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223875199 571566134 /nfs/dbraw/zinc/56/61/34/571566134.db2.gz WHLXWMLSZSQOMF-NDEPHWFRSA-N 0 0 679.623 6.138 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224535850 571568749 /nfs/dbraw/zinc/56/87/49/571568749.db2.gz XSLZYMNHZCUDBN-AREMUKBSSA-N 0 0 635.570 5.222 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000205681168 571569894 /nfs/dbraw/zinc/56/98/94/571569894.db2.gz UEMFEMWOOOGORZ-YDZHTSKRSA-N 0 0 603.878 7.225 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000205679030 571569949 /nfs/dbraw/zinc/56/99/49/571569949.db2.gz PXVQQWZQEUSGIQ-WSDLNYQXSA-N 0 0 589.851 6.835 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223896740 571570161 /nfs/dbraw/zinc/57/01/61/571570161.db2.gz NJNFDZHJICAMSF-AFMDSPMNSA-N 0 0 588.488 5.844 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000205699584 571570202 /nfs/dbraw/zinc/57/02/02/571570202.db2.gz NSTBKZYSCLDGPJ-YDZHTSKRSA-N 0 0 510.955 6.072 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000205774853 571571013 /nfs/dbraw/zinc/57/10/13/571571013.db2.gz LDJNEXJAPUNIGL-FOKLQQMPSA-N 0 0 681.302 6.786 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223904595 571571928 /nfs/dbraw/zinc/57/19/28/571571928.db2.gz YJZBZVAUWUUHHG-INIZCTEOSA-N 0 0 524.470 5.611 40 5 KKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223912810 571573970 /nfs/dbraw/zinc/57/39/70/571573970.db2.gz PFUKQJBHZUIHAV-AFMDSPMNSA-N 0 0 542.463 5.999 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223915131 571574537 /nfs/dbraw/zinc/57/45/37/571574537.db2.gz MNKUYRJNQXWSQT-UIOOFZCWSA-N 0 0 515.595 5.502 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223914995 571574575 /nfs/dbraw/zinc/57/45/75/571574575.db2.gz MNKUYRJNQXWSQT-CLJLJLNGSA-N 0 0 515.595 5.502 40 5 KKBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224560102 571574603 /nfs/dbraw/zinc/57/46/03/571574603.db2.gz QRNSLGWPGBQYRV-HHHXNRCGSA-N 0 0 635.570 5.142 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223915047 571574607 /nfs/dbraw/zinc/57/46/07/571574607.db2.gz MNKUYRJNQXWSQT-FTJBHMTQSA-N 0 0 515.595 5.502 40 5 KKBBRN O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000214055012 571577189 /nfs/dbraw/zinc/57/71/89/571577189.db2.gz HOCFDRSSAMVABT-CIAFOILYSA-N 0 0 500.454 6.642 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214087732 571577568 /nfs/dbraw/zinc/57/75/68/571577568.db2.gz HZSXDMHGJOJLPZ-ZVHZXABRSA-N 0 0 524.982 6.462 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000214129847 571577724 /nfs/dbraw/zinc/57/77/24/571577724.db2.gz ISNQLAFJBMIMPZ-SRZZPIQSSA-N 0 0 534.899 7.296 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000214205870 571578028 /nfs/dbraw/zinc/57/80/28/571578028.db2.gz PVBHXQWRTZLVCI-UFFVCSGVSA-N 0 0 613.795 8.058 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223934122 571578306 /nfs/dbraw/zinc/57/83/06/571578306.db2.gz FJAUAGKUKCYHCP-GJBXTBEHSA-N 0 0 776.139 7.622 40 5 KKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214406066 571578881 /nfs/dbraw/zinc/57/88/81/571578881.db2.gz FWUNHCHIISBOGH-SSDVNMTOSA-N 0 0 515.374 6.717 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214396167 571578921 /nfs/dbraw/zinc/57/89/21/571578921.db2.gz UHNYTRRERCUERV-NUGSKGIGSA-N 0 0 624.296 7.488 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214413462 571579088 /nfs/dbraw/zinc/57/90/88/571579088.db2.gz DPCWQPYOLGWZJK-ZVBGSRNCSA-N 0 0 569.344 7.949 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214434661 571579244 /nfs/dbraw/zinc/57/92/44/571579244.db2.gz MBWTWXIFQARELJ-WYMPLXKRSA-N 0 0 559.427 7.116 40 5 KKBBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214702665 571580606 /nfs/dbraw/zinc/58/06/06/571580606.db2.gz VHDGLKVWZWZLPU-FSJBWODESA-N 0 0 545.400 6.726 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214767610 571580858 /nfs/dbraw/zinc/58/08/58/571580858.db2.gz MEJFZSVPGOTEIY-FOKLQQMPSA-N 0 0 545.400 6.726 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224587230 571581187 /nfs/dbraw/zinc/58/11/87/571581187.db2.gz SXBKTVXHGOICLZ-RUZDIDTESA-N 0 0 542.463 5.999 40 5 KKBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224590808 571582033 /nfs/dbraw/zinc/58/20/33/571582033.db2.gz DSPJDGOVIBXYNO-WJOKGBTCSA-N 0 0 697.641 6.652 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214975763 571582140 /nfs/dbraw/zinc/58/21/40/571582140.db2.gz YXHPPTMOKBWNJD-YDZHTSKRSA-N 0 0 555.406 6.181 40 5 KKBBRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214967055 571582266 /nfs/dbraw/zinc/58/22/66/571582266.db2.gz UTMZUEFPVINKAU-SRZZPIQSSA-N 0 0 586.376 6.303 40 5 KKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215001397 571582294 /nfs/dbraw/zinc/58/22/94/571582294.db2.gz VUBWDJWOQVEOBE-SRZZPIQSSA-N 0 0 522.451 5.440 40 5 KKBBRN O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214983751 571582332 /nfs/dbraw/zinc/58/23/32/571582332.db2.gz XXMJFOVXSFZKQM-WSDLNYQXSA-N 0 0 559.825 6.826 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000214985990 571582407 /nfs/dbraw/zinc/58/24/07/571582407.db2.gz ZMUWQLVOYVAMBZ-DHRITJCHSA-N 0 0 626.485 6.237 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214987613 571582437 /nfs/dbraw/zinc/58/24/37/571582437.db2.gz DKZBBFOVAZMVQF-FOKLQQMPSA-N 0 0 600.403 6.090 40 5 KKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214991234 571582445 /nfs/dbraw/zinc/58/24/45/571582445.db2.gz NBWKBGMJMANGFA-SRZZPIQSSA-N 0 0 522.451 5.440 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000215027614 571582539 /nfs/dbraw/zinc/58/25/39/571582539.db2.gz SRJJIBYKKMGXCH-FSJBWODESA-N 0 0 521.507 5.327 40 5 KKBBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215005081 571582560 /nfs/dbraw/zinc/58/25/60/571582560.db2.gz XXDUITVKLUFRQA-BRJLIKDPSA-N 0 0 504.608 6.308 40 5 KKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000215113042 571583140 /nfs/dbraw/zinc/58/31/40/571583140.db2.gz XRXCPWNIDJAUEZ-AUEPDCJTSA-N 0 0 528.945 6.211 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000215129998 571583300 /nfs/dbraw/zinc/58/33/00/571583300.db2.gz MUYNXABZOZXIEA-WYMPLXKRSA-N 0 0 542.972 6.602 40 5 KKBBRN COc1cccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215184110 571583665 /nfs/dbraw/zinc/58/36/65/571583665.db2.gz GPUBXUSYUSPOEI-GZIVZEMBSA-N 0 0 585.934 5.923 40 5 KKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215208646 571583842 /nfs/dbraw/zinc/58/38/42/571583842.db2.gz WACROGACLFMNRB-FSJBWODESA-N 0 0 647.403 6.535 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000215221207 571584005 /nfs/dbraw/zinc/58/40/05/571584005.db2.gz KAHAPZSUEHIQSB-ZVHZXABRSA-N 0 0 616.433 6.414 40 5 KKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215280888 571584450 /nfs/dbraw/zinc/58/44/50/571584450.db2.gz SVIYYEBCTIBWLL-KTZMUZOWSA-N 0 0 622.961 7.423 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224603673 571584631 /nfs/dbraw/zinc/58/46/31/571584631.db2.gz GNMGXSXYXFBXFY-MHZLTWQESA-N 0 0 649.597 5.531 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967722 571585362 /nfs/dbraw/zinc/58/53/62/571585362.db2.gz ZXPOJHPZPWJOEC-DWACAAAGSA-N 0 0 549.693 5.391 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224613280 571586713 /nfs/dbraw/zinc/58/67/13/571586713.db2.gz LWQQJDDXQVHHTK-HHHXNRCGSA-N 0 0 659.205 5.649 40 5 KKBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224619927 571588411 /nfs/dbraw/zinc/58/84/11/571588411.db2.gz TVOZQYNDGIAUAH-SSEXGKCCSA-N 0 0 636.771 5.016 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224647839 571594434 /nfs/dbraw/zinc/59/44/34/571594434.db2.gz GEWVRSWGOBTPDO-URLMMPGGSA-N 0 0 533.613 6.750 40 5 KKBBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224681708 571602589 /nfs/dbraw/zinc/60/25/89/571602589.db2.gz RXUPJFXWOINTIK-KYJUHHDHSA-N 0 0 547.640 7.058 40 5 KKBBRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224061282 571604746 /nfs/dbraw/zinc/60/47/46/571604746.db2.gz MALCEKIYUAVJNR-QFIPXVFZSA-N 0 0 673.188 5.245 40 5 KKBBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000224068873 571605909 /nfs/dbraw/zinc/60/59/09/571605909.db2.gz FUCOIVOMQQCBIY-IZZNHLLZSA-N 0 0 551.024 6.106 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 ZINC000224718210 571609636 /nfs/dbraw/zinc/60/96/36/571609636.db2.gz KBQQACKXWMAYAU-IHLOFXLRSA-N 0 0 548.624 7.528 40 5 KKBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224724208 571611045 /nfs/dbraw/zinc/61/10/45/571611045.db2.gz YINYARZDEPKVHW-QFIPXVFZSA-N 0 0 631.151 5.012 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224725197 571611229 /nfs/dbraw/zinc/61/12/29/571611229.db2.gz JHORIGNZPAXXEQ-KYJUHHDHSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224725335 571611271 /nfs/dbraw/zinc/61/12/71/571611271.db2.gz JHORIGNZPAXXEQ-LOYHVIPDSA-N 0 0 548.624 7.528 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C ZINC000224115212 571611712 /nfs/dbraw/zinc/61/17/12/571611712.db2.gz WBYLOTIJEPUNEF-RRPNLBNLSA-N 0 0 541.633 6.330 40 5 KKBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224739249 571612656 /nfs/dbraw/zinc/61/26/56/571612656.db2.gz QSBFNGKHQLAKOE-NRFANRHFSA-N 0 0 643.560 5.029 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224743327 571612971 /nfs/dbraw/zinc/61/29/71/571612971.db2.gz QNIWQOOOSIYVOR-VWLOTQADSA-N 0 0 636.771 5.282 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224749568 571613678 /nfs/dbraw/zinc/61/36/78/571613678.db2.gz SBHFPDJWYMANAM-XIFFEERXSA-N 0 0 658.777 5.272 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224761183 571614673 /nfs/dbraw/zinc/61/46/73/571614673.db2.gz ZYFDWJUTVMPJGP-GOSISDBHSA-N 0 0 504.052 5.348 40 5 KKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224761140 571614700 /nfs/dbraw/zinc/61/47/00/571614700.db2.gz ZYFDWJUTVMPJGP-SFHVURJKSA-N 0 0 504.052 5.348 40 5 KKBBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000224761103 571614702 /nfs/dbraw/zinc/61/47/02/571614702.db2.gz HWRWYWIVDLYUDT-ZEQRLZLVSA-N 0 0 504.662 6.688 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 ZINC000224764221 571614993 /nfs/dbraw/zinc/61/49/93/571614993.db2.gz MNTKJBWPDVHWEN-SVBPBHIXSA-N 0 0 584.752 7.182 40 5 KKBBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 ZINC000224764082 571614997 /nfs/dbraw/zinc/61/49/97/571614997.db2.gz MNTKJBWPDVHWEN-KAYWLYCHSA-N 0 0 584.752 7.182 40 5 KKBBRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224767206 571615179 /nfs/dbraw/zinc/61/51/79/571615179.db2.gz XOUBCZAUDFGDKJ-KYJUHHDHSA-N 0 0 563.708 7.417 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 ZINC000224766760 571615182 /nfs/dbraw/zinc/61/51/82/571615182.db2.gz MEAAROIYIIYQQS-URLMMPGGSA-N 0 0 584.126 7.762 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000224767014 571615213 /nfs/dbraw/zinc/61/52/13/571615213.db2.gz YDKPICZPMPSSNZ-FQLXRVMXSA-N 0 0 618.571 8.416 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3cccnc3)cc2)cc1 ZINC000224767543 571615263 /nfs/dbraw/zinc/61/52/63/571615263.db2.gz ZDROJWUGFQZLJY-URLMMPGGSA-N 0 0 564.696 6.563 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C3CCCC3)cc2)cc1 ZINC000224768715 571615327 /nfs/dbraw/zinc/61/53/27/571615327.db2.gz NTHAMOHOLYZZSI-IZLXSDGUSA-N 0 0 541.702 7.235 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C ZINC000224769589 571615427 /nfs/dbraw/zinc/61/54/27/571615427.db2.gz RHDOUGZMIMVBPG-UIOOFZCWSA-N 0 0 515.664 6.273 40 5 KKBBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C ZINC000224769934 571615471 /nfs/dbraw/zinc/61/54/71/571615471.db2.gz LZNQUXJAIYGTPO-WUFINQPMSA-N 0 0 543.718 7.317 40 5 KKBBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 ZINC000224770374 571615516 /nfs/dbraw/zinc/61/55/16/571615516.db2.gz HJPIRZVKJZUMAE-CONSDPRKSA-N 0 0 583.783 8.242 40 5 KKBBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 ZINC000224770902 571615553 /nfs/dbraw/zinc/61/55/53/571615553.db2.gz YZUDOSIOABDPBN-ZWXJPIIXSA-N 0 0 591.762 7.785 40 5 KKBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224772405 571615696 /nfs/dbraw/zinc/61/56/96/571615696.db2.gz WKTHRDRBLACAID-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224778337 571616223 /nfs/dbraw/zinc/61/62/23/571616223.db2.gz ZHUJMPYIUKZPNU-UMSFTDKQSA-N 0 0 672.804 5.580 40 5 KKBBRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780784 571616422 /nfs/dbraw/zinc/61/64/22/571616422.db2.gz LOSXTAFNOOXJED-LOYHVIPDSA-N 0 0 563.708 7.417 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224781337 571616459 /nfs/dbraw/zinc/61/64/59/571616459.db2.gz BZIGLDIWNVVBRK-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224781456 571616516 /nfs/dbraw/zinc/61/65/16/571616516.db2.gz NQSXVDXVQCUBFO-MHZLTWQESA-N 0 0 635.570 5.677 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3F)cc2)cc1 ZINC000224781697 571616522 /nfs/dbraw/zinc/61/65/22/571616522.db2.gz IAUSDQDYRKQFEI-URLMMPGGSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 ZINC000224782143 571616547 /nfs/dbraw/zinc/61/65/47/571616547.db2.gz RWCKUJNFUJVZBO-FQLXRVMXSA-N 0 0 567.671 7.248 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 ZINC000224783008 571616685 /nfs/dbraw/zinc/61/66/85/571616685.db2.gz GPNNUWYPXLFAPR-VMPREFPWSA-N 0 0 565.680 6.814 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224784145 571616766 /nfs/dbraw/zinc/61/67/66/571616766.db2.gz BGJACDMPWHVNQJ-FQLXRVMXSA-N 0 0 594.678 7.017 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 ZINC000224786373 571617024 /nfs/dbraw/zinc/61/70/24/571617024.db2.gz LIKVSGQYZSJTGA-FQLXRVMXSA-N 0 0 629.561 8.341 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 ZINC000224786282 571617036 /nfs/dbraw/zinc/61/70/36/571617036.db2.gz LIKVSGQYZSJTGA-WDYNHAJCSA-N 0 0 629.561 8.341 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 ZINC000224787543 571617151 /nfs/dbraw/zinc/61/71/51/571617151.db2.gz QFQPHKLVNQIRGW-FQLXRVMXSA-N 0 0 619.555 8.885 40 5 KKBBRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224789301 571617278 /nfs/dbraw/zinc/61/72/78/571617278.db2.gz NCJRHRIKUQETMU-KYJUHHDHSA-N 0 0 599.137 8.540 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224790571 571617363 /nfs/dbraw/zinc/61/73/63/571617363.db2.gz KRSLTUGANRUZTA-MUUNZHRXSA-N 0 0 679.623 5.994 40 5 KKBBRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224790117 571617371 /nfs/dbraw/zinc/61/73/71/571617371.db2.gz RNYSBKYCYQMKKJ-DQEYMECFSA-N 0 0 501.637 6.140 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 ZINC000224790920 571617405 /nfs/dbraw/zinc/61/74/05/571617405.db2.gz FGKFHRGQXPCIRR-FQLXRVMXSA-N 0 0 549.681 7.109 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 ZINC000224790786 571617418 /nfs/dbraw/zinc/61/74/18/571617418.db2.gz FGKFHRGQXPCIRR-VMPREFPWSA-N 0 0 549.681 7.109 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224793109 571617624 /nfs/dbraw/zinc/61/76/24/571617624.db2.gz UERMTHDPLYOTOP-VMPREFPWSA-N 0 0 595.662 7.486 40 5 KKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 ZINC000224793149 571617681 /nfs/dbraw/zinc/61/76/81/571617681.db2.gz UERMTHDPLYOTOP-WDYNHAJCSA-N 0 0 595.662 7.486 40 5 KKBBRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224793689 571617711 /nfs/dbraw/zinc/61/77/11/571617711.db2.gz DGKQMSRIYOAOKV-LOYHVIPDSA-N 0 0 608.701 7.365 40 5 KKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224796167 571617928 /nfs/dbraw/zinc/61/79/28/571617928.db2.gz RYSRTUJUEIQJPM-MHZLTWQESA-N 0 0 519.667 5.301 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 ZINC000224822616 571620445 /nfs/dbraw/zinc/62/04/45/571620445.db2.gz WDWBUQZCCRUXSN-UIOOFZCWSA-N 0 0 532.578 5.453 40 5 KKBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224825874 571620807 /nfs/dbraw/zinc/62/08/07/571620807.db2.gz VBHKBCZBGIVMOC-YTTGMZPUSA-N 0 0 628.751 5.263 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224831605 571621394 /nfs/dbraw/zinc/62/13/94/571621394.db2.gz PUFYAVBFDNMKQX-UMSFTDKQSA-N 0 0 672.804 5.580 40 5 KKBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224851649 571623122 /nfs/dbraw/zinc/62/31/22/571623122.db2.gz PHZPSZHSQJQVAZ-JWQCQUIFSA-N 0 0 502.552 5.444 40 5 KKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224851852 571623202 /nfs/dbraw/zinc/62/32/02/571623202.db2.gz JKPXBJWEJQHGMP-HHHXNRCGSA-N 0 0 635.570 5.677 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)S(C)(=O)=O ZINC000224857068 571623771 /nfs/dbraw/zinc/62/37/71/571623771.db2.gz OIBSCLCMXGETIW-UHFFFAOYSA-N 0 0 515.591 5.374 40 5 KKBBRN Cc1c(N(Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224863409 571624429 /nfs/dbraw/zinc/62/44/29/571624429.db2.gz PQBZXOTZNSDPQF-UHFFFAOYSA-N 0 0 529.574 6.021 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224882037 571626268 /nfs/dbraw/zinc/62/62/68/571626268.db2.gz DREKWCOKFIDCTL-OAQYLSRUSA-N 0 0 647.581 5.963 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224882858 571626342 /nfs/dbraw/zinc/62/63/42/571626342.db2.gz QXJNTUUYHTZTFG-LJAQVGFWSA-N 0 0 627.163 5.022 40 5 KKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224894892 571627646 /nfs/dbraw/zinc/62/76/46/571627646.db2.gz RYZLFJHHWFRQLB-MHZLTWQESA-N 0 0 675.204 5.349 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224903990 571628488 /nfs/dbraw/zinc/62/84/88/571628488.db2.gz OHYRLWFPFFNCSZ-AREMUKBSSA-N 0 0 540.085 5.646 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224907211 571628723 /nfs/dbraw/zinc/62/87/23/571628723.db2.gz IKHSKIHKFIXPOL-LJAQVGFWSA-N 0 0 627.163 5.022 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 ZINC000224913488 571629265 /nfs/dbraw/zinc/62/92/65/571629265.db2.gz XJMYCDIRZPXPPP-JWQCQUIFSA-N 0 0 504.543 5.883 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224916016 571629539 /nfs/dbraw/zinc/62/95/39/571629539.db2.gz XFOGSVMRSFKQBT-YTTGMZPUSA-N 0 0 727.667 6.579 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224926890 571630755 /nfs/dbraw/zinc/63/07/55/571630755.db2.gz XLXRRDOBJXIPIX-MRXNPFEDSA-N 0 0 538.428 5.155 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000224938397 571631946 /nfs/dbraw/zinc/63/19/46/571631946.db2.gz JOMZEDIRYWUOBJ-BJKOFHAPSA-N 0 0 534.439 6.029 40 5 KKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000224938356 571631971 /nfs/dbraw/zinc/63/19/71/571631971.db2.gz JOMZEDIRYWUOBJ-RPWUZVMVSA-N 0 0 534.439 6.029 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224941933 571632249 /nfs/dbraw/zinc/63/22/49/571632249.db2.gz LVBHCAWRUGVCKE-NDEPHWFRSA-N 0 0 549.668 5.666 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224941867 571632288 /nfs/dbraw/zinc/63/22/88/571632288.db2.gz JCTVESBUVZXOFD-XIFFEERXSA-N 0 0 676.767 5.411 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 ZINC000224943591 571632453 /nfs/dbraw/zinc/63/24/53/571632453.db2.gz KIRKITRXSUQRIP-LOSJGSFVSA-N 0 0 565.449 6.506 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br ZINC000224946680 571632748 /nfs/dbraw/zinc/63/27/48/571632748.db2.gz LZDZFPGZPIRBQN-BJKOFHAPSA-N 0 0 535.423 6.498 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224962663 571634309 /nfs/dbraw/zinc/63/43/09/571634309.db2.gz OVXVNNHTHANRQJ-HKBQPEDESA-N 0 0 632.714 5.094 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224967875 571634840 /nfs/dbraw/zinc/63/48/40/571634840.db2.gz RSPWJRYFNYCUQI-BJKOFHAPSA-N 0 0 505.987 5.620 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224968555 571634919 /nfs/dbraw/zinc/63/49/19/571634919.db2.gz CONZQKAXLOIOQB-XIFFEERXSA-N 0 0 676.767 5.411 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224972811 571635254 /nfs/dbraw/zinc/63/52/54/571635254.db2.gz NKJPTVZBHFKFIF-LOSJGSFVSA-N 0 0 536.997 6.098 40 5 KKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl ZINC000224972727 571635277 /nfs/dbraw/zinc/63/52/77/571635277.db2.gz NKJPTVZBHFKFIF-DQEYMECFSA-N 0 0 536.997 6.098 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224975921 571635535 /nfs/dbraw/zinc/63/55/35/571635535.db2.gz WTFJMQMXVHPNJU-UMSFTDKQSA-N 0 0 737.250 6.599 40 5 KKBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224985701 571636448 /nfs/dbraw/zinc/63/64/48/571636448.db2.gz RRYLWSAXBDLBJF-RUZDIDTESA-N 0 0 538.442 5.065 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224989772 571636899 /nfs/dbraw/zinc/63/68/99/571636899.db2.gz KROYFGFQUQBTJV-HHHXNRCGSA-N 0 0 564.480 5.599 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225001612 571638100 /nfs/dbraw/zinc/63/81/00/571638100.db2.gz IKGRKPPTZWAPNJ-LJAQVGFWSA-N 0 0 671.614 5.131 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225009949 571638741 /nfs/dbraw/zinc/63/87/41/571638741.db2.gz FXKRKYCNUQOLHC-LJAQVGFWSA-N 0 0 592.718 5.046 40 5 KKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225012392 571638895 /nfs/dbraw/zinc/63/88/95/571638895.db2.gz LYSPRZGXRGQWHH-MUUNZHRXSA-N 0 0 610.574 6.289 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225012945 571638944 /nfs/dbraw/zinc/63/89/44/571638944.db2.gz RSWMXVZSHOYZCX-HHHXNRCGSA-N 0 0 564.480 5.599 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225014707 571639086 /nfs/dbraw/zinc/63/90/86/571639086.db2.gz CHMDGVGXUQJPNK-HKBQPEDESA-N 0 0 693.620 5.717 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225015220 571639113 /nfs/dbraw/zinc/63/91/13/571639113.db2.gz ABHPFZRBMJAKMV-XIFFEERXSA-N 0 0 719.658 6.252 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225015158 571639127 /nfs/dbraw/zinc/63/91/27/571639127.db2.gz AIHHIUOLZDGDPX-XIFFEERXSA-N 0 0 719.658 6.252 40 5 KKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000225035712 571640955 /nfs/dbraw/zinc/64/09/55/571640955.db2.gz HAEQMGXYNPODDE-MHZLTWQESA-N 0 0 554.474 6.143 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225052871 571642375 /nfs/dbraw/zinc/64/23/75/571642375.db2.gz NMVLPFAULILNSO-HHHXNRCGSA-N 0 0 600.499 5.988 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225076652 571644673 /nfs/dbraw/zinc/64/46/73/571644673.db2.gz ZBTHPYKGHJXAFB-HHHXNRCGSA-N 0 0 600.499 5.988 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225078113 571644871 /nfs/dbraw/zinc/64/48/71/571644871.db2.gz IBEZRSFJOYFYNM-MHZLTWQESA-N 0 0 635.570 5.141 40 5 KKBBRN O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225090348 571646327 /nfs/dbraw/zinc/64/63/27/571646327.db2.gz MTDQYZQZXIJFKP-JSOSNVBQSA-N 0 0 591.649 6.444 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225091601 571646441 /nfs/dbraw/zinc/64/64/41/571646441.db2.gz NMIWTNIWYBNQKY-UMSFTDKQSA-N 0 0 788.150 7.766 40 5 KKBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225093332 571646598 /nfs/dbraw/zinc/64/65/98/571646598.db2.gz XHQVEFDGYNCVHE-HKBQPEDESA-N 0 0 683.614 6.262 40 5 KKBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225093927 571646645 /nfs/dbraw/zinc/64/66/45/571646645.db2.gz ROHOOYOTOCELFJ-LJAQVGFWSA-N 0 0 661.608 5.675 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000225099363 571647083 /nfs/dbraw/zinc/64/70/83/571647083.db2.gz KERWIBXMHNSFPL-MHZLTWQESA-N 0 0 600.499 5.988 40 5 KKBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225108196 571648061 /nfs/dbraw/zinc/64/80/61/571648061.db2.gz OJGZHAVHESXEQM-UMSFTDKQSA-N 0 0 670.788 5.498 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)(C)C ZINC000225111152 571648398 /nfs/dbraw/zinc/64/83/98/571648398.db2.gz QLPYISKVCGFBSQ-SVBPBHIXSA-N 0 0 570.675 5.951 40 5 KKBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C ZINC000225113376 571648682 /nfs/dbraw/zinc/64/86/82/571648682.db2.gz XSIZIDYDNVCYID-KAYWLYCHSA-N 0 0 571.659 6.420 40 5 KKBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C ZINC000225119380 571649324 /nfs/dbraw/zinc/64/93/24/571649324.db2.gz UGSMHIDXHSKWPZ-RRPNLBNLSA-N 0 0 571.659 6.420 40 5 KKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225130904 571650224 /nfs/dbraw/zinc/65/02/24/571650224.db2.gz ZHPFNKKKRBANDV-XMMPIXPASA-N 0 0 518.079 5.738 40 5 KKBBRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000225141466 571651403 /nfs/dbraw/zinc/65/14/03/571651403.db2.gz LEXFMVKBDIWLAC-FTJBHMTQSA-N 0 0 562.051 6.675 40 5 KKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225142366 571651518 /nfs/dbraw/zinc/65/15/18/571651518.db2.gz RFBHMHLZDVYDTD-PMERELPUSA-N 0 0 671.216 6.017 40 5 KKBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225150871 571652456 /nfs/dbraw/zinc/65/24/56/571652456.db2.gz RSVGSKLEWVTDJA-JOCHJYFZSA-N 0 0 631.151 5.094 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225163401 571653620 /nfs/dbraw/zinc/65/36/20/571653620.db2.gz RJIKKCFBKGLIST-QFIPXVFZSA-N 0 0 675.179 5.766 40 5 KKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225203483 571657628 /nfs/dbraw/zinc/65/76/28/571657628.db2.gz MFSLHMPTXNFVGD-GOSISDBHSA-N 0 0 548.503 5.457 40 5 KKBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000225228799 571660268 /nfs/dbraw/zinc/66/02/68/571660268.db2.gz BMGPSWADNQLEHX-SVBPBHIXSA-N 0 0 559.604 5.020 40 5 KKBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225237525 571661215 /nfs/dbraw/zinc/66/12/15/571661215.db2.gz MKELBVDEQNTHCW-HHHXNRCGSA-N 0 0 631.151 5.094 40 5 KKBBRN 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COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225358491 571719575 /nfs/dbraw/zinc/71/95/75/571719575.db2.gz FKZUCWRMVSHDPD-BHVANESWSA-N 0 0 733.287 6.850 40 5 KKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225360060 571721764 /nfs/dbraw/zinc/72/17/64/571721764.db2.gz KOVNHBYBTZKJMB-CLJLJLNGSA-N 0 0 500.580 6.214 40 5 KKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225377855 571744739 /nfs/dbraw/zinc/74/47/39/571744739.db2.gz JHVUAKBBBLRSKA-IZLXSDGUSA-N 0 0 525.634 6.279 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260844492 571746577 /nfs/dbraw/zinc/74/65/77/571746577.db2.gz BUBCKWVTLIWSED-MGBGTMOVSA-N 0 0 727.667 6.579 40 5 KKBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225386300 571755407 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/nfs/dbraw/zinc/82/09/66/571820966.db2.gz CIGRKDXBKIRCMU-MGBGTMOVSA-N 0 0 741.694 6.970 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260904444 571827918 /nfs/dbraw/zinc/82/79/18/571827918.db2.gz BPQFTIYSDGOVRN-MGBGTMOVSA-N 0 0 776.139 7.480 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260907269 571832699 /nfs/dbraw/zinc/83/26/99/571832699.db2.gz JMYFMBQIRDLQJM-JOCHJYFZSA-N 0 0 736.085 6.389 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464392 571835869 /nfs/dbraw/zinc/83/58/69/571835869.db2.gz RKPJSSSPIOGLKA-LOSJGSFVSA-N 0 0 549.634 5.107 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 ZINC000225466963 571838662 /nfs/dbraw/zinc/83/86/62/571838662.db2.gz ZHNNMLAIEIWKOU-IZZNHLLZSA-N 0 0 579.660 5.115 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225466941 571838666 /nfs/dbraw/zinc/83/86/66/571838666.db2.gz LOPDCVKHWXSGQO-YTTGMZPUSA-N 0 0 646.741 5.486 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225469817 571840644 /nfs/dbraw/zinc/84/06/44/571840644.db2.gz LRCMUGUIGBVVFV-DQEYMECFSA-N 0 0 549.634 5.107 40 5 KKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225469894 571840685 /nfs/dbraw/zinc/84/06/85/571840685.db2.gz LRCMUGUIGBVVFV-LOSJGSFVSA-N 0 0 549.634 5.107 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260913954 571843532 /nfs/dbraw/zinc/84/35/32/571843532.db2.gz GBFKUTCOTKPXPP-KMRXNPHXSA-N 0 0 679.623 6.136 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260915971 571847084 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CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260926056 571865645 /nfs/dbraw/zinc/86/56/45/571865645.db2.gz HDOFYYSAPKOVLG-DCFHFQCYSA-N 0 0 635.570 5.819 40 5 KKBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225504034 571874385 /nfs/dbraw/zinc/87/43/85/571874385.db2.gz DUPKAHLEBVGDQN-UMSFTDKQSA-N 0 0 723.679 7.186 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000260934049 571882374 /nfs/dbraw/zinc/88/23/74/571882374.db2.gz PSJNZXPPMPNZEX-UUWRZZSWSA-N 0 0 723.679 7.186 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225517467 571887289 /nfs/dbraw/zinc/88/72/89/571887289.db2.gz KVQDNSUZLOZHTO-SANMLTNESA-N 0 0 552.469 5.456 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260939340 571894040 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CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225538816 571904255 /nfs/dbraw/zinc/90/42/55/571904255.db2.gz QIDFZJXAUSSUFN-PWUYWRBVSA-N 0 0 624.760 5.138 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000225540456 571905841 /nfs/dbraw/zinc/90/58/41/571905841.db2.gz NGVAPUISSKIOFC-IZZNHLLZSA-N 0 0 513.579 5.251 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225542035 571906847 /nfs/dbraw/zinc/90/68/47/571906847.db2.gz JTFHUJUGHKHUMJ-HHHXNRCGSA-N 0 0 598.563 6.147 40 5 KKBBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225556390 571918363 /nfs/dbraw/zinc/91/83/63/571918363.db2.gz HNOVCIIFCOQVOE-VSGBNLITSA-N 0 0 540.649 5.344 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260954102 571918993 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CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225566700 571928654 /nfs/dbraw/zinc/92/86/54/571928654.db2.gz LZHYXACCIHYEMV-HHHXNRCGSA-N 0 0 588.557 6.691 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225566730 571928755 /nfs/dbraw/zinc/92/87/55/571928755.db2.gz LZHYXACCIHYEMV-MHZLTWQESA-N 0 0 588.557 6.691 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225567743 571929650 /nfs/dbraw/zinc/92/96/50/571929650.db2.gz PCLHOXCTOAIJQH-AREMUKBSSA-N 0 0 542.463 6.001 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225576418 571936346 /nfs/dbraw/zinc/93/63/46/571936346.db2.gz LJTHUDXOTAHIQP-UMSFTDKQSA-N 0 0 741.694 6.970 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260964417 571937377 /nfs/dbraw/zinc/93/73/77/571937377.db2.gz ZVTABXZQKOVHNZ-MGBGTMOVSA-N 0 0 741.694 6.826 40 5 KKBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225585295 571943948 /nfs/dbraw/zinc/94/39/48/571943948.db2.gz JBBHJHZFOJTOKY-HKBQPEDESA-N 0 0 679.195 5.455 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225593089 571948699 /nfs/dbraw/zinc/94/86/99/571948699.db2.gz ZBXDVPDOIAOTHC-JGCGQSQUSA-N 0 0 697.641 6.653 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260976447 571949585 /nfs/dbraw/zinc/94/95/85/571949585.db2.gz APJJXJFKXOCHOO-PGUFJCEWSA-N 0 0 702.830 5.528 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260977312 571950949 /nfs/dbraw/zinc/95/09/49/571950949.db2.gz NOOFQUANEOQGTG-LVXARBLLSA-N 0 0 679.623 6.136 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225599884 571954063 /nfs/dbraw/zinc/95/40/63/571954063.db2.gz KBJLIHYRIHYFLU-QFQXNSOFSA-N 0 0 679.623 6.136 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225601355 571955588 /nfs/dbraw/zinc/95/55/88/571955588.db2.gz MYADZKWCWCMCMP-MGBGTMOVSA-N 0 0 776.139 7.624 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 ZINC000225603941 571957388 /nfs/dbraw/zinc/95/73/88/571957388.db2.gz NTJZMXQRCJVRKW-FTJBHMTQSA-N 0 0 531.569 5.390 40 5 KKBBRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 ZINC000225604129 571957660 /nfs/dbraw/zinc/95/76/60/571957660.db2.gz DBGLXARVGREVRO-CLJLJLNGSA-N 0 0 531.569 5.390 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225604079 571957709 /nfs/dbraw/zinc/95/77/09/571957709.db2.gz ONRSZAVHZHHJNE-NDEPHWFRSA-N 0 0 649.597 5.532 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260984766 571959836 /nfs/dbraw/zinc/95/98/36/571959836.db2.gz BPLSYKQOCUVPSZ-JKFCTSDTSA-N 0 0 751.700 6.424 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260986225 571962313 /nfs/dbraw/zinc/96/23/13/571962313.db2.gz BVXUPMDGCDSJRO-JKFCTSDTSA-N 0 0 707.249 6.315 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225613848 571965140 /nfs/dbraw/zinc/96/51/40/571965140.db2.gz DNFITGQMCMWPRA-AREMUKBSSA-N 0 0 542.463 6.001 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260988849 571966591 /nfs/dbraw/zinc/96/65/91/571966591.db2.gz CGWKIRAGQBMITJ-RTWAWAEBSA-N 0 0 649.141 5.232 40 5 KKBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225617409 571967826 /nfs/dbraw/zinc/96/78/26/571967826.db2.gz GQCMCXAQXDWWHW-LJQANCHMSA-N 0 0 607.516 5.039 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F ZINC000225619469 571969839 /nfs/dbraw/zinc/96/98/39/571969839.db2.gz XYNDXCBERBNLQN-IZZNHLLZSA-N 0 0 531.569 5.390 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 ZINC000225621185 571971492 /nfs/dbraw/zinc/97/14/92/571971492.db2.gz DCEYONQXUZJBQB-KAYWLYCHSA-N 0 0 561.595 5.399 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260993509 571974595 /nfs/dbraw/zinc/97/45/95/571974595.db2.gz QIDFZJXAUSSUFN-OUTSHDOLSA-N 0 0 624.760 5.138 40 5 KKBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225624168 571975897 /nfs/dbraw/zinc/97/58/97/571975897.db2.gz LAGOJABOAQEDNX-XIFFEERXSA-N 0 0 776.139 7.624 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225624589 571976137 /nfs/dbraw/zinc/97/61/37/571976137.db2.gz JHXZRGNBBADFAF-RBISFHTESA-N 0 0 645.178 5.483 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260994696 571977484 /nfs/dbraw/zinc/97/74/84/571977484.db2.gz QNMXNHNSURLLBT-AMGIVPHBSA-N 0 0 675.204 5.491 40 5 KKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225626368 571978243 /nfs/dbraw/zinc/97/82/43/571978243.db2.gz NOOFQUANEOQGTG-HFZDXXHNSA-N 0 0 679.623 6.136 40 5 KKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225627154 571979236 /nfs/dbraw/zinc/97/92/36/571979236.db2.gz YJCUCCTWMNPDRG-MUUNZHRXSA-N 0 0 649.597 5.532 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260996555 571980005 /nfs/dbraw/zinc/98/00/05/571980005.db2.gz OSOQXIWHPXDKBG-PGUFJCEWSA-N 0 0 763.711 6.569 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225640944 571991736 /nfs/dbraw/zinc/99/17/36/571991736.db2.gz ZYJOEGKEHAADLP-IBGZPJMESA-N 0 0 686.014 6.009 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261005412 571993913 /nfs/dbraw/zinc/99/39/13/571993913.db2.gz QSVNZSYULRBQDS-UUWRZZSWSA-N 0 0 753.705 7.113 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225654201 572001642 /nfs/dbraw/zinc/00/16/42/572001642.db2.gz FPFZTXWXIYKGRK-QFQXNSOFSA-N 0 0 663.168 5.622 40 5 KKBBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000225654770 572002030 /nfs/dbraw/zinc/00/20/30/572002030.db2.gz UKCVRSQBUDPSBQ-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261011784 572006528 /nfs/dbraw/zinc/00/65/28/572006528.db2.gz SPKCTWIQPQRETO-MGBGTMOVSA-N 0 0 690.794 5.801 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225670046 572011543 /nfs/dbraw/zinc/01/15/43/572011543.db2.gz JRGXRKUYDPIZGX-ZHRRBRCNSA-N 0 0 526.486 5.857 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225669988 572011592 /nfs/dbraw/zinc/01/15/92/572011592.db2.gz JRGXRKUYDPIZGX-OPAMFIHVSA-N 0 0 526.486 5.857 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261016523 572015034 /nfs/dbraw/zinc/01/50/34/572015034.db2.gz UPTWFIPZEVIZKF-JGCGQSQUSA-N 0 0 786.145 7.078 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261017082 572016254 /nfs/dbraw/zinc/01/62/54/572016254.db2.gz HRYKXPJOMZFGLX-JQJBXXCASA-N 0 0 725.239 6.454 40 5 KKBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000261020367 572020461 /nfs/dbraw/zinc/02/04/61/572020461.db2.gz VNHVRDXYGNEIPF-JOCHJYFZSA-N 0 0 687.613 5.346 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225691788 572026453 /nfs/dbraw/zinc/02/64/53/572026453.db2.gz MNGXZVNXPFGXFM-FOIQADDNSA-N 0 0 526.417 5.011 40 5 KKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 ZINC000225695632 572028765 /nfs/dbraw/zinc/02/87/65/572028765.db2.gz LHGAYLZBDNTWFV-NSOVKSMOSA-N 0 0 557.632 5.568 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000225697290 572029599 /nfs/dbraw/zinc/02/95/99/572029599.db2.gz OFIPRYANABOZNA-SVBPBHIXSA-N 0 0 527.606 5.560 40 5 KKBBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225697482 572029602 /nfs/dbraw/zinc/02/96/02/572029602.db2.gz HUEZVFMPVSBLAB-KAYWLYCHSA-N 0 0 527.606 5.560 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261029887 572030485 /nfs/dbraw/zinc/03/04/85/572030485.db2.gz WTFJMQMXVHPNJU-UUWRZZSWSA-N 0 0 737.250 6.599 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261035278 572038358 /nfs/dbraw/zinc/03/83/58/572038358.db2.gz KADUPTNJJXJHPP-UKJJDJLKSA-N 0 0 707.647 6.107 40 5 KKBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225710176 572040175 /nfs/dbraw/zinc/04/01/75/572040175.db2.gz FXCXDTHYFYPRMS-VWLOTQADSA-N 0 0 631.151 5.093 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261039543 572042983 /nfs/dbraw/zinc/04/29/83/572042983.db2.gz KGVLEDDVDANZSF-PIKZIKFNSA-N 0 0 649.597 5.531 40 5 KKBBRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc21 ZINC000225716325 572044507 /nfs/dbraw/zinc/04/45/07/572044507.db2.gz VPKSAFPUYOCUMR-KYJUHHDHSA-N 0 0 563.639 6.404 40 5 KKBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261051269 572056602 /nfs/dbraw/zinc/05/66/02/572056602.db2.gz MBPDEYLJZOBUJN-MGBGTMOVSA-N 0 0 776.139 7.480 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261052305 572057456 /nfs/dbraw/zinc/05/74/56/572057456.db2.gz MGYVPRWQVNFDRX-HRFSGMKKSA-N 0 0 665.596 5.231 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261053392 572057778 /nfs/dbraw/zinc/05/77/78/572057778.db2.gz MKFGYHHLIAUUPE-UKJJDJLKSA-N 0 0 707.647 6.107 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261053391 572057855 /nfs/dbraw/zinc/05/78/55/572057855.db2.gz MKFGYHHLIAUUPE-GOXGLGGOSA-N 0 0 707.647 6.107 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261055895 572059757 /nfs/dbraw/zinc/05/97/57/572059757.db2.gz MVRMRERKIRECCR-YJNPBZNESA-N 0 0 672.804 5.662 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261058244 572061330 /nfs/dbraw/zinc/06/13/30/572061330.db2.gz NHPJVZXDPVIXEG-CMVGPNDKSA-N 0 0 642.778 5.653 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261059255 572062122 /nfs/dbraw/zinc/06/21/22/572062122.db2.gz NNAZRMKZRRAITM-HRFSGMKKSA-N 0 0 635.570 5.222 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261090223 572080821 /nfs/dbraw/zinc/08/08/21/572080821.db2.gz TUUDPDNFZQTYEN-UBOZLPQGSA-N 0 0 658.777 5.354 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261093498 572083134 /nfs/dbraw/zinc/08/31/34/572083134.db2.gz UPKNRKUIYOPUEA-YJNPBZNESA-N 0 0 721.276 6.624 40 5 KKBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261097152 572085527 /nfs/dbraw/zinc/08/55/27/572085527.db2.gz VIQFTCXJQLNCQQ-SFTDATJTSA-N 0 0 710.047 5.855 40 5 KKBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261112027 572095364 /nfs/dbraw/zinc/09/53/64/572095364.db2.gz YAJKJLUXEBRULS-RTWAWAEBSA-N 0 0 665.596 5.746 40 5 KKBBRN CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000299888555 572141674 /nfs/dbraw/zinc/14/16/74/572141674.db2.gz OFNSUWBAQRCHAV-KQQYUQCSSA-N 0 0 584.885 9.759 40 5 KKBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329072144 572151917 /nfs/dbraw/zinc/15/19/17/572151917.db2.gz ZVEYQBIITKAAGY-UHFFFAOYSA-N 0 0 507.900 5.936 40 5 KKBBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 ZINC000408530621 572172404 /nfs/dbraw/zinc/17/24/04/572172404.db2.gz PYQVSFRCONKDEB-PGUFJCEWSA-N 0 0 648.741 7.469 40 5 KKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl ZINC000408541196 572207865 /nfs/dbraw/zinc/20/78/65/572207865.db2.gz BXMKRYHFQPZJTM-HJWRWDBZSA-N 0 0 540.741 6.297 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408541835 572209317 /nfs/dbraw/zinc/20/93/17/572209317.db2.gz FCULUICHMHUGMQ-UHFFFAOYSA-N 0 0 588.871 6.312 40 5 KKBBRN Cc1noc(/C=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1[N+](=O)[O-] ZINC000408542397 572210549 /nfs/dbraw/zinc/21/05/49/572210549.db2.gz JDFUVTMOZIMJRB-SREVYHEPSA-N 0 0 528.584 6.819 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408542735 572211105 /nfs/dbraw/zinc/21/11/05/572211105.db2.gz ADXARZWNZBUFSF-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408543225 572212234 /nfs/dbraw/zinc/21/22/34/572212234.db2.gz NVKRMQRFWGBHRQ-YWEYNIOJSA-N 0 0 522.739 5.504 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2ccccc2O)c(C)c1 ZINC000408545000 572217288 /nfs/dbraw/zinc/21/72/88/572217288.db2.gz LGJUMPQOMNPZIS-UHFFFAOYSA-N 0 0 544.420 6.203 40 5 KKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408545148 572217800 /nfs/dbraw/zinc/21/78/00/572217800.db2.gz ZDXMMQZJLAHCOZ-UHFFFAOYSA-N 0 0 568.453 5.967 40 5 KKBBRN COC(=O)c1cccc(Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)c1 ZINC000408545208 572217880 /nfs/dbraw/zinc/21/78/80/572217880.db2.gz ZXAMNOLOALBSNZ-QFEZKATASA-N 0 0 527.558 5.621 40 5 KKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)ccc2Cl)cc1 ZINC000408547577 572226249 /nfs/dbraw/zinc/22/62/49/572226249.db2.gz ZWRYWNAAFYDPFD-UHFFFAOYSA-N 0 0 508.383 5.352 40 5 KKBBRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCC1 ZINC000408551616 572236390 /nfs/dbraw/zinc/23/63/90/572236390.db2.gz ORLWZNQHRPBMSY-YBFXNURJSA-N 0 0 625.295 5.358 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408555000 572242291 /nfs/dbraw/zinc/24/22/91/572242291.db2.gz FJJOAIXGKDGJKO-UHFFFAOYSA-N 0 0 542.264 6.697 40 5 KKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408555019 572242514 /nfs/dbraw/zinc/24/25/14/572242514.db2.gz FLBHUSKDZAXKPI-QHCPKHFHSA-N 0 0 515.931 6.126 40 5 KKBBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408555629 572243071 /nfs/dbraw/zinc/24/30/71/572243071.db2.gz HKYGYEDTGFHYAC-UHFFFAOYSA-N 0 0 512.187 6.864 40 5 KKBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557176 572244658 /nfs/dbraw/zinc/24/46/58/572244658.db2.gz LVJBKEHEZJWSGK-UHFFFAOYSA-N 0 0 510.355 5.272 40 5 KKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408557366 572244947 /nfs/dbraw/zinc/24/49/47/572244947.db2.gz MZBUEBOADDUJOD-UHFFFAOYSA-N 0 0 512.187 6.864 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557619 572245151 /nfs/dbraw/zinc/24/51/51/572245151.db2.gz PPPQEMPRTLFLIG-UHFFFAOYSA-N 0 0 502.321 5.855 40 5 KKBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557870 572245371 /nfs/dbraw/zinc/24/53/71/572245371.db2.gz OJBIZHIZXZBZST-UHFFFAOYSA-N 0 0 510.355 5.272 40 5 KKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 ZINC000408559339 572246766 /nfs/dbraw/zinc/24/67/66/572246766.db2.gz ZGCHYNRKUQWETN-UHFFFAOYSA-N 0 0 518.351 6.098 40 5 KKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408559928 572247296 /nfs/dbraw/zinc/24/72/96/572247296.db2.gz XDZPTCHBLCNPDQ-JOCHJYFZSA-N 0 0 603.800 7.609 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408562545 572248895 /nfs/dbraw/zinc/24/88/95/572248895.db2.gz AMIPMFNDBZHAMB-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562936 572248959 /nfs/dbraw/zinc/24/89/59/572248959.db2.gz SKVLAYPNYXURET-FLFQWRMESA-N 0 0 509.371 6.053 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563949 572250108 /nfs/dbraw/zinc/25/01/08/572250108.db2.gz BSKBDHALUBVRIJ-YDOVEJIGSA-N 0 0 631.321 5.711 40 5 KKBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564023 572250192 /nfs/dbraw/zinc/25/01/92/572250192.db2.gz CBHVFFWHQSHPTG-PPSCSQRBSA-N 0 0 523.589 5.339 40 5 KKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564270 572250399 /nfs/dbraw/zinc/25/03/99/572250399.db2.gz UQOUCZVXAVLPIX-UHFFFAOYSA-N 0 0 500.747 5.608 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564677 572250719 /nfs/dbraw/zinc/25/07/19/572250719.db2.gz DNYQAEBHAAGYHV-NLRIEGLYSA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 ZINC000408564788 572251028 /nfs/dbraw/zinc/25/10/28/572251028.db2.gz AGMJQWYQYJXBDS-QHCPKHFHSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408564786 572251038 /nfs/dbraw/zinc/25/10/38/572251038.db2.gz AFHMDQDVKIIFHO-LJAQVGFWSA-N 0 0 575.090 7.470 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408564781 572251052 /nfs/dbraw/zinc/25/10/52/572251052.db2.gz AEVHHYFIKVEYTI-AREMUKBSSA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 ZINC000408564840 572251053 /nfs/dbraw/zinc/25/10/53/572251053.db2.gz ANYIQUSPBCUVPS-RUZDIDTESA-N 0 0 570.027 6.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408564905 572251180 /nfs/dbraw/zinc/25/11/80/572251180.db2.gz ARZIJLXREJOAIW-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408564887 572251212 /nfs/dbraw/zinc/25/12/12/572251212.db2.gz AQWKRKZMJBSWKY-DEOSSOPVSA-N 0 0 563.438 6.719 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1cccc(C)c1 ZINC000408564881 572251245 /nfs/dbraw/zinc/25/12/45/572251245.db2.gz AQHJIFRAGGDYSQ-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000408564896 572251305 /nfs/dbraw/zinc/25/13/05/572251305.db2.gz AROVBBVAZRYRAO-VWLOTQADSA-N 0 0 617.497 6.574 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408565050 572251495 /nfs/dbraw/zinc/25/14/95/572251495.db2.gz BBSDPSAAUBCATO-RUZDIDTESA-N 0 0 614.478 6.334 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408565131 572251801 /nfs/dbraw/zinc/25/18/01/572251801.db2.gz BHBORXRBDPUIMP-MHZLTWQESA-N 0 0 623.504 7.328 40 5 KKBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565091 572251912 /nfs/dbraw/zinc/25/19/12/572251912.db2.gz HQVREXIWAAZWFI-XABOBXATSA-N 0 0 633.326 6.398 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408565254 572252048 /nfs/dbraw/zinc/25/20/48/572252048.db2.gz BLLKJQCXKDQEJA-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408565335 572252418 /nfs/dbraw/zinc/25/24/18/572252418.db2.gz BSBYYGATLHFZJS-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565477 572252584 /nfs/dbraw/zinc/25/25/84/572252584.db2.gz KZDXQLBCJWKYMY-GJECAEJISA-N 0 0 528.392 5.103 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408565553 572252767 /nfs/dbraw/zinc/25/27/67/572252767.db2.gz CJUYACKREOEQRG-XMMPIXPASA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000408565555 572252824 /nfs/dbraw/zinc/25/28/24/572252824.db2.gz CKAQHYUKBAEHNP-RUZDIDTESA-N 0 0 570.027 6.225 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408565552 572252845 /nfs/dbraw/zinc/25/28/45/572252845.db2.gz CJUYACKREOEQRG-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408565612 572252919 /nfs/dbraw/zinc/25/29/19/572252919.db2.gz CNUXRYYGZBESIS-FQEVSTJZSA-N 0 0 507.410 5.246 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000408565628 572252921 /nfs/dbraw/zinc/25/29/21/572252921.db2.gz COZASGBWKJTCAQ-RUZDIDTESA-N 0 0 506.584 5.282 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408565689 572253060 /nfs/dbraw/zinc/25/30/60/572253060.db2.gz CTQLLGAWICWRHM-HSZRJFAPSA-N 0 0 612.308 7.473 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408565911 572253159 /nfs/dbraw/zinc/25/31/59/572253159.db2.gz DETIPRVFFJHPNM-SANMLTNESA-N 0 0 504.612 5.972 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408566039 572253277 /nfs/dbraw/zinc/25/32/77/572253277.db2.gz DPKJBFJAKJZMGL-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408566209 572253413 /nfs/dbraw/zinc/25/34/13/572253413.db2.gz FBRFCXMMVCRUDQ-VWLOTQADSA-N 0 0 557.047 6.764 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 ZINC000408566197 572253475 /nfs/dbraw/zinc/25/34/75/572253475.db2.gz FAUOOMZYPFMVST-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408566228 572253544 /nfs/dbraw/zinc/25/35/44/572253544.db2.gz FCKUJXQQUQTCLS-QHCPKHFHSA-N 0 0 563.894 7.533 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(C)c(C)c1 ZINC000408566284 572253580 /nfs/dbraw/zinc/25/35/80/572253580.db2.gz FFOPKAOIBDXHIV-VWLOTQADSA-N 0 0 553.482 6.644 40 5 KKBBRN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566315 572253591 /nfs/dbraw/zinc/25/35/91/572253591.db2.gz NLKAPGKJLVSADI-ZVFGGPEJSA-N 0 0 647.353 6.788 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408566736 572253830 /nfs/dbraw/zinc/25/38/30/572253830.db2.gz GAJNQVWTRYVMBI-RUZDIDTESA-N 0 0 525.030 6.317 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408567073 572254163 /nfs/dbraw/zinc/25/41/63/572254163.db2.gz GHQSJTJPDLNNNS-RUZDIDTESA-N 0 0 617.953 7.306 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408567092 572254170 /nfs/dbraw/zinc/25/41/70/572254170.db2.gz PRACVQBCOJXTSN-CWWSAELMSA-N 0 0 558.849 6.280 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408567177 572254343 /nfs/dbraw/zinc/25/43/43/572254343.db2.gz GRAJHUGMDVQIAT-DEOSSOPVSA-N 0 0 569.481 6.344 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 ZINC000408568071 572254662 /nfs/dbraw/zinc/25/46/62/572254662.db2.gz HNBPZQIWIKBVEY-NDEPHWFRSA-N 0 0 605.514 7.189 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408568082 572254670 /nfs/dbraw/zinc/25/46/70/572254670.db2.gz HOWPWNBPNUWYHU-XMMPIXPASA-N 0 0 543.020 6.374 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408568081 572254677 /nfs/dbraw/zinc/25/46/77/572254677.db2.gz HOWPWNBPNUWYHU-DEOSSOPVSA-N 0 0 543.020 6.374 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408568157 572254705 /nfs/dbraw/zinc/25/47/05/572254705.db2.gz HUHQJORCEXVKOA-XMMPIXPASA-N 0 0 511.003 5.927 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000408568194 572254833 /nfs/dbraw/zinc/25/48/33/572254833.db2.gz HWCBVYOHASECDU-QHCPKHFHSA-N 0 0 591.434 6.314 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408568631 572255018 /nfs/dbraw/zinc/25/50/18/572255018.db2.gz IDMALYQQRFNFBI-JOCHJYFZSA-N 0 0 584.312 7.878 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(C)cc1 ZINC000408568616 572255020 /nfs/dbraw/zinc/25/50/20/572255020.db2.gz ICKDJXVNWNCJSP-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408568677 572255179 /nfs/dbraw/zinc/25/51/79/572255179.db2.gz IGPWILZYWZYHEX-XMMPIXPASA-N 0 0 638.371 7.651 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568874 572255308 /nfs/dbraw/zinc/25/53/08/572255308.db2.gz VCTDNYRZUARHSV-AWTIUKJOSA-N 0 0 558.849 6.280 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408569105 572255432 /nfs/dbraw/zinc/25/54/32/572255432.db2.gz IVKPDKURSPUHRL-LJAQVGFWSA-N 0 0 540.645 6.817 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408569067 572255485 /nfs/dbraw/zinc/25/54/85/572255485.db2.gz IPAHJTSBSVSYGY-DEOSSOPVSA-N 0 0 521.555 5.182 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408569074 572255516 /nfs/dbraw/zinc/25/55/16/572255516.db2.gz IPZOGDYWZZMFAX-RUZDIDTESA-N 0 0 559.475 6.970 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F ZINC000408569197 572255540 /nfs/dbraw/zinc/25/55/40/572255540.db2.gz JBVOKYFPIVXLJO-XMMPIXPASA-N 0 0 587.471 6.483 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCC ZINC000408569186 572255542 /nfs/dbraw/zinc/25/55/42/572255542.db2.gz JBJVCQWLSMOHET-IBGZPJMESA-N 0 0 541.855 5.899 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 ZINC000408569402 572255634 /nfs/dbraw/zinc/25/56/34/572255634.db2.gz WOXJJSKQUSKMCC-PLPKJQRDSA-N 0 0 584.470 6.236 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000408569482 572255717 /nfs/dbraw/zinc/25/57/17/572255717.db2.gz JEEQEXHHXICCQN-SANMLTNESA-N 0 0 631.980 7.696 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408569519 572255739 /nfs/dbraw/zinc/25/57/39/572255739.db2.gz JJYWZZTXQJHKDF-DEOSSOPVSA-N 0 0 577.465 7.109 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408569583 572255816 /nfs/dbraw/zinc/25/58/16/572255816.db2.gz JRINZIGQPQNQFM-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569657 572255822 /nfs/dbraw/zinc/25/58/22/572255822.db2.gz WVAUIZVNECPLKQ-YUHKXCSQSA-N 0 0 507.949 5.113 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408569879 572256046 /nfs/dbraw/zinc/25/60/46/572256046.db2.gz KCQDQQDUKFBHBZ-AREMUKBSSA-N 0 0 597.535 6.961 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC ZINC000408570006 572256217 /nfs/dbraw/zinc/25/62/17/572256217.db2.gz KPADRJUJPMHIIK-IBGZPJMESA-N 0 0 507.410 5.164 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 ZINC000408569939 572256162 /nfs/dbraw/zinc/25/61/62/572256162.db2.gz KHSZBMWMGUTVTH-WJOKGBTCSA-N 0 0 584.698 7.215 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408570259 572256349 /nfs/dbraw/zinc/25/63/49/572256349.db2.gz KPHBGQAEIVQKHU-HSZRJFAPSA-N 0 0 658.789 7.996 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408570366 572256397 /nfs/dbraw/zinc/25/63/97/572256397.db2.gz LDTUOSVOCCRIHM-GDLZYMKVSA-N 0 0 558.635 6.956 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCC ZINC000408570658 572256486 /nfs/dbraw/zinc/25/64/86/572256486.db2.gz LTDJLBXNTGVGDW-HXUWFJFHSA-N 0 0 537.436 5.254 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000408570699 572256505 /nfs/dbraw/zinc/25/65/05/572256505.db2.gz LXBVICLWRJENMD-QHCPKHFHSA-N 0 0 515.422 6.572 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000408570608 572256543 /nfs/dbraw/zinc/25/65/43/572256543.db2.gz LNMURRPDLSYWEH-HSZRJFAPSA-N 0 0 577.863 6.820 40 5 KKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408570898 572256582 /nfs/dbraw/zinc/25/65/82/572256582.db2.gz MGHWFRKIROJORM-HXUWFJFHSA-N 0 0 507.410 5.164 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408570875 572256585 /nfs/dbraw/zinc/25/65/85/572256585.db2.gz MDSOGFHPZSKPKZ-GDLZYMKVSA-N 0 0 603.542 7.797 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408570890 572256594 /nfs/dbraw/zinc/25/65/94/572256594.db2.gz MEPMLQOHQKNNCM-VWLOTQADSA-N 0 0 525.030 6.235 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408570876 572256645 /nfs/dbraw/zinc/25/66/45/572256645.db2.gz MDSOGFHPZSKPKZ-LJAQVGFWSA-N 0 0 603.542 7.797 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000408571033 572256674 /nfs/dbraw/zinc/25/66/74/572256674.db2.gz MYDHASTYYUJTGE-DEOSSOPVSA-N 0 0 573.444 6.175 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F ZINC000408570994 572256683 /nfs/dbraw/zinc/25/66/83/572256683.db2.gz MQTKRKYICQDGKO-RUZDIDTESA-N 0 0 508.575 5.721 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000408570986 572256684 /nfs/dbraw/zinc/25/66/84/572256684.db2.gz MNYSHABRVFKGKA-RUZDIDTESA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000408570998 572256686 /nfs/dbraw/zinc/25/66/86/572256686.db2.gz MRJICTHRHUISFC-QHCPKHFHSA-N 0 0 560.419 6.480 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408570945 572256718 /nfs/dbraw/zinc/25/67/18/572256718.db2.gz MKZODZMOLBGCHA-HSZRJFAPSA-N 0 0 588.415 6.075 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000408570987 572256740 /nfs/dbraw/zinc/25/67/40/572256740.db2.gz MNYSHABRVFKGKA-VWLOTQADSA-N 0 0 638.371 7.733 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571088 572256834 /nfs/dbraw/zinc/25/68/34/572256834.db2.gz NKYVJWBJBHIQJC-QHCPKHFHSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408571081 572256840 /nfs/dbraw/zinc/25/68/40/572256840.db2.gz NIDFDAFYXDPKGE-RUZDIDTESA-N 0 0 508.575 5.803 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 ZINC000408571103 572256858 /nfs/dbraw/zinc/25/68/58/572256858.db2.gz NNDTXLWDSYBYHF-LJAQVGFWSA-N 0 0 619.541 7.579 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408571293 572256922 /nfs/dbraw/zinc/25/69/22/572256922.db2.gz OHAHCANSSAWCGW-QHCPKHFHSA-N 0 0 563.894 7.533 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408571160 572256930 /nfs/dbraw/zinc/25/69/30/572256930.db2.gz NXRWRGUNMFGJAK-VWLOTQADSA-N 0 0 652.398 8.041 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408571162 572256936 /nfs/dbraw/zinc/25/69/36/572256936.db2.gz NXWRWGDETRGDTK-QFIPXVFZSA-N 0 0 551.402 6.850 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(C)cc1 ZINC000408571416 572257060 /nfs/dbraw/zinc/25/70/60/572257060.db2.gz ORTZEZGYOXDBTG-XMMPIXPASA-N 0 0 608.345 7.643 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408571366 572257077 /nfs/dbraw/zinc/25/70/77/572257077.db2.gz ONBZJABRSUHIAJ-DEOSSOPVSA-N 0 0 545.448 6.580 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccccc1 ZINC000408571580 572257165 /nfs/dbraw/zinc/25/71/65/572257165.db2.gz PCIGUHKJLDQZPN-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1cccc(C)c1 ZINC000408571589 572257185 /nfs/dbraw/zinc/25/71/85/572257185.db2.gz PDCPPHHTPJWDJW-XMMPIXPASA-N 0 0 563.894 7.533 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408571566 572257207 /nfs/dbraw/zinc/25/72/07/572257207.db2.gz OZWYEKJXLZKGHH-HSZRJFAPSA-N 0 0 607.889 6.828 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408571567 572257210 /nfs/dbraw/zinc/25/72/10/572257210.db2.gz OZWYEKJXLZKGHH-QHCPKHFHSA-N 0 0 607.889 6.828 40 5 KKBBRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000408571720 572257272 /nfs/dbraw/zinc/25/72/72/572257272.db2.gz DJBKKRLWYFMUGQ-DHZHZOJOSA-N 0 0 530.528 5.110 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(C)cc1 ZINC000408571656 572257309 /nfs/dbraw/zinc/25/73/09/572257309.db2.gz PKHDKXXOLKIXRI-XMMPIXPASA-N 0 0 529.449 6.880 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000408571657 572257313 /nfs/dbraw/zinc/25/73/13/572257313.db2.gz PLCYUNJEELJJIN-DEOSSOPVSA-N 0 0 557.445 6.475 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408571872 572257348 /nfs/dbraw/zinc/25/73/48/572257348.db2.gz PSVWDILFPCKIKU-HSZRJFAPSA-N 0 0 543.418 6.166 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(Cl)cc1 ZINC000408571912 572257432 /nfs/dbraw/zinc/25/74/32/572257432.db2.gz PVSXSISELHTYBD-QHCPKHFHSA-N 0 0 604.870 6.589 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C)c1 ZINC000408571996 572257494 /nfs/dbraw/zinc/25/74/94/572257494.db2.gz QGDJAJZFVOSQPU-DEOSSOPVSA-N 0 0 584.452 6.244 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408572086 572257551 /nfs/dbraw/zinc/25/75/51/572257551.db2.gz QOTCUFGYNPPZMX-AREMUKBSSA-N 0 0 539.057 6.625 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408572089 572257568 /nfs/dbraw/zinc/25/75/68/572257568.db2.gz QOTCUFGYNPPZMX-SANMLTNESA-N 0 0 539.057 6.625 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408572042 572257582 /nfs/dbraw/zinc/25/75/82/572257582.db2.gz QMRVHLASJMXQRW-QHCPKHFHSA-N 0 0 546.983 6.205 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408572203 572257652 /nfs/dbraw/zinc/25/76/52/572257652.db2.gz QUOMYVIYAPWXGI-SSEXGKCCSA-N 0 0 570.671 6.825 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000408572375 572257804 /nfs/dbraw/zinc/25/78/04/572257804.db2.gz QZMCDGQYXUVJGL-DEOSSOPVSA-N 0 0 561.466 7.328 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCC ZINC000408572596 572257918 /nfs/dbraw/zinc/25/79/18/572257918.db2.gz RJESSIMZDQXMGE-LJQANCHMSA-N 0 0 507.410 5.246 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(F)cc1 ZINC000408572460 572257946 /nfs/dbraw/zinc/25/79/46/572257946.db2.gz RFKWBRAQTQJIGY-HHHXNRCGSA-N 0 0 593.478 7.320 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408572709 572258012 /nfs/dbraw/zinc/25/80/12/572258012.db2.gz RWKYOKAEVYYBAU-DEOSSOPVSA-N 0 0 559.475 6.889 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408572761 572258088 /nfs/dbraw/zinc/25/80/88/572258088.db2.gz RYQOSXIKWQBCLX-HSZRJFAPSA-N 0 0 563.438 6.719 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 ZINC000408573002 572258483 /nfs/dbraw/zinc/25/84/83/572258483.db2.gz SCSWRVJHXQQHBQ-WJOKGBTCSA-N 0 0 568.699 7.434 40 5 KKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 ZINC000408573044 572258493 /nfs/dbraw/zinc/25/84/93/572258493.db2.gz SGEBFNHDUGWOMS-SANMLTNESA-N 0 0 538.601 5.811 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccccc1 ZINC000408573124 572258646 /nfs/dbraw/zinc/25/86/46/572258646.db2.gz SPEUCIFCACWZAT-QHCPKHFHSA-N 0 0 570.425 5.936 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc2ccccc21 ZINC000408573132 572258654 /nfs/dbraw/zinc/25/86/54/572258654.db2.gz SPUODSVNKXLEOQ-XMMPIXPASA-N 0 0 531.406 7.080 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408573608 572259040 /nfs/dbraw/zinc/25/90/40/572259040.db2.gz TYEAXLLLTJBWAR-SSEXGKCCSA-N 0 0 554.672 7.125 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408573681 572259059 /nfs/dbraw/zinc/25/90/59/572259059.db2.gz UBJSQRBQMIYEFH-AREMUKBSSA-N 0 0 573.502 7.279 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408573661 572259063 /nfs/dbraw/zinc/25/90/63/572259063.db2.gz UAGSTMHWPSUAGZ-QHCPKHFHSA-N 0 0 563.438 6.719 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408573639 572259115 /nfs/dbraw/zinc/25/91/15/572259115.db2.gz TZIVKSXSXBJBCO-VWLOTQADSA-N 0 0 525.030 6.235 40 5 KKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC ZINC000408575025 572260073 /nfs/dbraw/zinc/26/00/73/572260073.db2.gz VNTJNPLVQURMGC-NRFANRHFSA-N 0 0 521.437 5.554 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000408575088 572260187 /nfs/dbraw/zinc/26/01/87/572260187.db2.gz VZUSMOQVDZBSNC-AREMUKBSSA-N 0 0 682.424 8.132 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000408575066 572260205 /nfs/dbraw/zinc/26/02/05/572260205.db2.gz VXHKNRBTONBENL-RUZDIDTESA-N 0 0 614.478 6.334 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408575603 572260569 /nfs/dbraw/zinc/26/05/69/572260569.db2.gz WRBXPWGCZCZREO-RUZDIDTESA-N 0 0 573.502 7.197 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(C)c(C)c1 ZINC000408575934 572260828 /nfs/dbraw/zinc/26/08/28/572260828.db2.gz XBLIVILTPLAYHQ-RUZDIDTESA-N 0 0 571.472 6.783 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)n1-c1ccccc1 ZINC000408575912 572260844 /nfs/dbraw/zinc/26/08/44/572260844.db2.gz WZUJJECHZWHAPT-XMMPIXPASA-N 0 0 539.455 6.336 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 ZINC000408575891 572260875 /nfs/dbraw/zinc/26/08/75/572260875.db2.gz WZOBRPHMAIUBOA-XMMPIXPASA-N 0 0 630.477 5.953 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000408575968 572260929 /nfs/dbraw/zinc/26/09/29/572260929.db2.gz XCBGOZADPFPZEI-SANMLTNESA-N 0 0 589.501 6.979 40 5 KKBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408576234 572261172 /nfs/dbraw/zinc/26/11/72/572261172.db2.gz WIHBWAPHOMKTFV-FMIVXFBMSA-N 0 0 509.946 5.047 40 5 KKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408576513 572261248 /nfs/dbraw/zinc/26/12/48/572261248.db2.gz XNXRGJGDURFGLC-DEOSSOPVSA-N 0 0 511.003 5.927 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000408576544 572261344 /nfs/dbraw/zinc/26/13/44/572261344.db2.gz XRHGADBQAIGIOP-DEOSSOPVSA-N 0 0 543.476 7.188 40 5 KKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(F)cc1 ZINC000408576720 572261409 /nfs/dbraw/zinc/26/14/09/572261409.db2.gz YECDUPWLGOIBKX-HSZRJFAPSA-N 0 0 561.408 6.306 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 ZINC000408576653 572261425 /nfs/dbraw/zinc/26/14/25/572261425.db2.gz XZTOAPYOKKWDCX-MHZLTWQESA-N 0 0 603.528 7.369 40 5 KKBBRN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000252486506 572261558 /nfs/dbraw/zinc/26/15/58/572261558.db2.gz HMMKWODAPTVAPA-UHFFFAOYSA-N 0 0 500.864 7.120 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408577018 572261680 /nfs/dbraw/zinc/26/16/80/572261680.db2.gz YJJPHUWSGMQOBR-RUZDIDTESA-N 0 0 583.508 6.734 40 5 KKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408577011 572261690 /nfs/dbraw/zinc/26/16/90/572261690.db2.gz YIWWQGUQKQPMKL-VWLOTQADSA-N 0 0 508.575 5.721 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408577300 572261851 /nfs/dbraw/zinc/26/18/51/572261851.db2.gz YZMIDGAIIPHIEF-XMMPIXPASA-N 0 0 512.538 5.552 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408577417 572261952 /nfs/dbraw/zinc/26/19/52/572261952.db2.gz ZJJQPXZFNGNBAL-RUZDIDTESA-N 0 0 569.481 6.426 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408577456 572261965 /nfs/dbraw/zinc/26/19/65/572261965.db2.gz ZNRSCBRLFZFOAU-SANMLTNESA-N 0 0 613.534 6.743 40 5 KKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000408577376 572261990 /nfs/dbraw/zinc/26/19/90/572261990.db2.gz ZCNSJVJWMZIZII-AREMUKBSSA-N 0 0 520.611 5.672 40 5 KKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408577511 572262010 /nfs/dbraw/zinc/26/20/10/572262010.db2.gz ZRKMPEAGQAJKMI-RUZDIDTESA-N 0 0 543.020 6.456 40 5 KKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408577481 572262048 /nfs/dbraw/zinc/26/20/48/572262048.db2.gz ZPTYHSHAOIUJAA-HSZRJFAPSA-N 0 0 618.441 6.083 40 5 KKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000408577786 572262399 /nfs/dbraw/zinc/26/23/99/572262399.db2.gz ZWKFLRKRHUMUHC-QHCPKHFHSA-N 0 0 533.412 6.711 40 5 KKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000408582414 572264897 /nfs/dbraw/zinc/26/48/97/572264897.db2.gz NZLVGMJPNMFFMJ-UHFFFAOYSA-N 0 0 631.306 6.378 40 5 KKBBRN Cc1c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408585105 572266045 /nfs/dbraw/zinc/26/60/45/572266045.db2.gz ACOASYABPLZWMA-UHFFFAOYSA-N 0 0 522.410 5.082 40 5 KKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000408603342 572273607 /nfs/dbraw/zinc/27/36/07/572273607.db2.gz FWULIZPUSDOOJP-FYWRMAATSA-N 0 0 513.506 5.319 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000408605965 572274721 /nfs/dbraw/zinc/27/47/21/572274721.db2.gz HVSPIRJDRFVRHE-UHFFFAOYSA-N 0 0 583.220 6.552 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 ZINC000408606544 572274945 /nfs/dbraw/zinc/27/49/45/572274945.db2.gz INXQYPFCMNPOFL-UHFFFAOYSA-N 0 0 504.324 5.789 40 5 KKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408608031 572275253 /nfs/dbraw/zinc/27/52/53/572275253.db2.gz MBDQDKMRNLYYOJ-UHFFFAOYSA-N 0 0 604.184 7.218 40 5 KKBBRN CCOc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408610233 572276137 /nfs/dbraw/zinc/27/61/37/572276137.db2.gz OLMZJSKSPKWUDN-UHFFFAOYSA-N 0 0 525.321 7.488 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 ZINC000408610758 572276297 /nfs/dbraw/zinc/27/62/97/572276297.db2.gz SBJJILGYYONSKT-UHFFFAOYSA-N 0 0 522.314 5.928 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000408611427 572276585 /nfs/dbraw/zinc/27/65/85/572276585.db2.gz SCHOUKDMRJKPFQ-UHFFFAOYSA-N 0 0 561.376 5.536 40 5 KKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408612183 572276844 /nfs/dbraw/zinc/27/68/44/572276844.db2.gz UTWSXQPPIVMCLC-UHFFFAOYSA-N 0 0 512.187 6.864 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408613006 572277098 /nfs/dbraw/zinc/27/70/98/572277098.db2.gz WGMPUGSBCXIQJB-UHFFFAOYSA-N 0 0 581.794 5.881 40 5 KKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613642 572277356 /nfs/dbraw/zinc/27/73/56/572277356.db2.gz ZEUPDFWPEGMZQF-UHFFFAOYSA-N 0 0 502.321 5.855 40 5 KKBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408629600 572285086 /nfs/dbraw/zinc/28/50/86/572285086.db2.gz DZYFTSFOAJWRJG-UHFFFAOYSA-N 0 0 513.881 5.101 40 5 KKBBRN Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 ZINC000408636968 572293982 /nfs/dbraw/zinc/29/39/82/572293982.db2.gz DQVHFIRWHSSQLQ-OAQYLSRUSA-N 0 0 516.550 5.598 40 5 KKBBRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C ZINC000408637422 572294430 /nfs/dbraw/zinc/29/44/30/572294430.db2.gz KDVAUULNIRTHAW-XMMPIXPASA-N 0 0 580.593 6.575 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408637833 572294609 /nfs/dbraw/zinc/29/46/09/572294609.db2.gz BGQCDNLVMYOWNJ-UHFFFAOYSA-N 0 0 636.058 7.052 40 5 KKBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc43)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638209 572294938 /nfs/dbraw/zinc/29/49/38/572294938.db2.gz PRMCYJOGRATKHV-AREMUKBSSA-N 0 0 630.609 6.539 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408638434 572295062 /nfs/dbraw/zinc/29/50/62/572295062.db2.gz CNJSVAJIYMTFCM-UHFFFAOYSA-N 0 0 687.275 6.964 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408638665 572295257 /nfs/dbraw/zinc/29/52/57/572295257.db2.gz DBZVCFIAMBEZSV-UHFFFAOYSA-N 0 0 636.058 7.052 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl ZINC000408638939 572295446 /nfs/dbraw/zinc/29/54/46/572295446.db2.gz DRKUVVCMPZGJSX-UHFFFAOYSA-N 0 0 567.168 5.745 40 5 KKBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000408638951 572295470 /nfs/dbraw/zinc/29/54/70/572295470.db2.gz DSTAXCKSGZCCJZ-UHFFFAOYSA-N 0 0 589.969 5.065 40 5 KKBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000408639046 572295521 /nfs/dbraw/zinc/29/55/21/572295521.db2.gz DZCYIGBXYARHJV-NSHDSACASA-N 0 0 789.025 6.578 40 5 KKBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408639344 572295790 /nfs/dbraw/zinc/29/57/90/572295790.db2.gz FPHGDYFNMMGBGY-GAZXMLTASA-N 0 0 638.460 5.782 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000408640200 572296378 /nfs/dbraw/zinc/29/63/78/572296378.db2.gz HPJCVMPECKFRAU-UHFFFAOYSA-N 0 0 581.195 6.053 40 5 KKBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000408640938 572296733 /nfs/dbraw/zinc/29/67/33/572296733.db2.gz BQVQNDPVXWZFIT-QYVRTBTHSA-N 0 0 626.452 6.034 40 5 KKBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1C ZINC000408641053 572296794 /nfs/dbraw/zinc/29/67/94/572296794.db2.gz JILJHZJDCWCKOU-UHFFFAOYSA-N 0 0 595.222 6.362 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408641554 572297084 /nfs/dbraw/zinc/29/70/84/572297084.db2.gz CQLOEOKJOXASAC-RAWLKHAVSA-N 0 0 626.452 6.034 40 5 KKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000408641596 572297186 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