smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001215131 551626540 /nfs/dbraw/zinc/62/65/40/551626540.db2.gz IWEMMRCBEZZIPO-YBEGLDIGSA-N 0 2 507.724 3.711 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000002773434 552185794 /nfs/dbraw/zinc/18/57/94/552185794.db2.gz WWECCFPCPLUDRN-OQLLNIDSSA-N 0 2 506.296 3.753 40 10 KHCBLN CCCCNS(=O)(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)ccc1OC ZINC000004830757 552488371 /nfs/dbraw/zinc/48/83/71/552488371.db2.gz SRHOKEWEHONYEI-UHFFFAOYSA-N 0 2 541.538 3.612 40 10 KHCBLN CC(=O)N/C(=C\c1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O ZINC000005723019 552507460 /nfs/dbraw/zinc/50/74/60/552507460.db2.gz NJKTYQPOGPZXFS-UCQKPKSFSA-N 0 2 567.561 3.909 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 ZINC000006089858 552532829 /nfs/dbraw/zinc/53/28/29/552532829.db2.gz LKNFSFJVVXNVFF-OEAKJJBVSA-N 0 2 512.522 3.616 40 10 KHCBLN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1 ZINC000006475159 552593285 /nfs/dbraw/zinc/59/32/85/552593285.db2.gz ZSNFIIOQVHHLJV-CIAFOILYSA-N 0 2 502.914 3.871 40 10 KHCBLN CC(=O)N/C(=C/c1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O ZINC000008653291 553108034 /nfs/dbraw/zinc/10/80/34/553108034.db2.gz NJKTYQPOGPZXFS-OEAKJJBVSA-N 0 2 567.561 3.909 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1 ZINC000009259923 553227950 /nfs/dbraw/zinc/22/79/50/553227950.db2.gz IGPNKOYCLXZTCE-NTUHNPAUSA-N 0 2 510.138 3.982 40 10 KHCBLN COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000009323166 553241588 /nfs/dbraw/zinc/24/15/88/553241588.db2.gz SNCZSUBUYVYJMZ-STZFKDTASA-N 0 2 503.486 3.827 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC ZINC000013371391 553458815 /nfs/dbraw/zinc/45/88/15/553458815.db2.gz BKDIGYAZIWEDSS-MLPAPPSSSA-N 0 2 510.138 3.895 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000014133060 553501680 /nfs/dbraw/zinc/50/16/80/553501680.db2.gz WRQSOBGBIYUJGX-NTEUORMPSA-N 0 2 506.296 3.673 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000015012455 553525549 /nfs/dbraw/zinc/52/55/49/553525549.db2.gz JQJWWDSHZOQCHD-YVLHZVERSA-N 0 2 501.333 3.674 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000015012483 553525532 /nfs/dbraw/zinc/52/55/32/553525532.db2.gz QJMQBDLFOQFLSO-DHDCSXOGSA-N 0 2 506.296 3.673 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000015219194 553528878 /nfs/dbraw/zinc/52/88/78/553528878.db2.gz INJOCQGNQIYTPR-KQWNVCNZSA-N 0 2 503.467 3.728 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OC)c(OC)c2)C1=O ZINC000016162421 553555935 /nfs/dbraw/zinc/55/59/35/553555935.db2.gz OOGUBWGHDHVVGJ-NTEUORMPSA-N 0 2 506.296 3.537 40 10 KHCBLN O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cl ZINC000016488302 553566306 /nfs/dbraw/zinc/56/63/06/553566306.db2.gz NDWIWRSJBQJKHH-MOSHPQCFSA-N 0 2 500.898 3.715 40 10 KHCBLN CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000020286496 553632487 /nfs/dbraw/zinc/63/24/87/553632487.db2.gz YUVXONMAEFDHMA-QNGOZBTKSA-N 0 2 507.532 3.603 40 10 KHCBLN CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000020286496 553632485 /nfs/dbraw/zinc/63/24/85/553632485.db2.gz YUVXONMAEFDHMA-QNGOZBTKSA-N 0 2 507.532 3.603 40 10 KHCBLN CC(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000020286496 553632483 /nfs/dbraw/zinc/63/24/83/553632483.db2.gz YUVXONMAEFDHMA-QNGOZBTKSA-N 0 2 507.532 3.603 40 10 KHCBLN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020287692 553633116 /nfs/dbraw/zinc/63/31/16/553633116.db2.gz KMONAGULVQLVNZ-ULJHMMPZSA-N 0 2 505.556 3.534 40 10 KHCBLN CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000026593243 553819779 /nfs/dbraw/zinc/81/97/79/553819779.db2.gz UZBJOSSBQPXWID-CPNJWEJPSA-N 0 2 514.556 3.886 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000027904006 553836654 /nfs/dbraw/zinc/83/66/54/553836654.db2.gz YKPPPGWNNGMKAS-ZHZULCJRSA-N 0 2 508.508 3.978 40 10 KHCBLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766955 554299901 /nfs/dbraw/zinc/29/99/01/554299901.db2.gz UJXRVGKHBXEYSS-JCHYSQADSA-N 0 2 505.534 3.670 40 10 KHCBLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766955 554299898 /nfs/dbraw/zinc/29/98/98/554299898.db2.gz UJXRVGKHBXEYSS-JCHYSQADSA-N 0 2 505.534 3.670 40 10 KHCBLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766956 554299967 /nfs/dbraw/zinc/29/99/67/554299967.db2.gz UJXRVGKHBXEYSS-AIAVXMCLSA-N 0 2 505.534 3.670 40 10 KHCBLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766956 554299962 /nfs/dbraw/zinc/29/99/62/554299962.db2.gz UJXRVGKHBXEYSS-AIAVXMCLSA-N 0 2 505.534 3.670 40 10 KHCBLN COC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000059135258 554381150 /nfs/dbraw/zinc/38/11/50/554381150.db2.gz YQOSJLADBYTBON-VGOFMYFVSA-N 0 2 507.268 3.655 40 10 KHCBLN CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000059198206 554384590 /nfs/dbraw/zinc/38/45/90/554384590.db2.gz VNKWCIIGNUXWAZ-MHWRWJLKSA-N 0 2 503.305 3.906 40 10 KHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)OC ZINC000059198218 554384676 /nfs/dbraw/zinc/38/46/76/554384676.db2.gz RYZRXQFKJMAPFY-MHWRWJLKSA-N 0 2 503.305 3.906 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1 ZINC000059484162 554397627 /nfs/dbraw/zinc/39/76/27/554397627.db2.gz FPTXXNXXERVRPM-ZSOIEALJSA-N 0 2 510.138 3.982 40 10 KHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)cc(I)c2O)C1=O ZINC000100103964 554220168 /nfs/dbraw/zinc/22/01/68/554220168.db2.gz CJTYPUHOUZMVLS-GHXNOFRVSA-N 0 2 574.112 3.576 40 10 KHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)c1 ZINC000100110850 554221516 /nfs/dbraw/zinc/22/15/16/554221516.db2.gz RRQBFHGMYHHTTO-VGOFMYFVSA-N 0 2 588.139 3.885 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)cc1 ZINC000100137069 554226986 /nfs/dbraw/zinc/22/69/86/554226986.db2.gz MPBRAKLSGCJZBF-QPEQYQDCSA-N 0 2 527.112 3.734 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1 ZINC000100137082 554227012 /nfs/dbraw/zinc/22/70/12/554227012.db2.gz PCFIIMSKRNHJST-NTUHNPAUSA-N 0 2 574.112 3.576 40 10 KHCBLN CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000100203021 554247218 /nfs/dbraw/zinc/24/72/18/554247218.db2.gz GNFJXSXYPAHRGO-MFOYZWKCSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000100205752 554248082 /nfs/dbraw/zinc/24/80/82/554248082.db2.gz JKGUCHODCVSCRZ-NVNXTCNLSA-N 0 2 537.750 3.719 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000100211233 554249276 /nfs/dbraw/zinc/24/92/76/554249276.db2.gz VRLWVRGKYFFQBY-MFOYZWKCSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1 ZINC000100241173 554260245 /nfs/dbraw/zinc/26/02/45/554260245.db2.gz LNNPZSWWBYWQQJ-ZSOIEALJSA-N 0 2 604.138 3.667 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)C2=O)cc1 ZINC000100241290 554260233 /nfs/dbraw/zinc/26/02/33/554260233.db2.gz SLKUJDYKYRRGEI-YBEGLDIGSA-N 0 2 536.322 3.764 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OCC)c3)C2=O)cc1 ZINC000100241330 554260552 /nfs/dbraw/zinc/26/05/52/554260552.db2.gz OUKUPMBLORLYDC-YBEGLDIGSA-N 0 2 536.322 3.764 40 10 KHCBLN Cc1ccc(N2NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1C ZINC000100280725 554276644 /nfs/dbraw/zinc/27/66/44/554276644.db2.gz QDENVAJUCAHFFN-AUWJEWJLSA-N 0 2 560.129 3.680 40 10 KHCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(I)cc(I)c1O ZINC000100281617 554277053 /nfs/dbraw/zinc/27/70/53/554277053.db2.gz RSCMRNLZYIRLPG-XGICHPGQSA-N 0 2 566.520 3.716 40 10 KHCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000100288102 554281162 /nfs/dbraw/zinc/28/11/62/554281162.db2.gz GNSCVIRYUAJGQO-NTEUORMPSA-N 0 2 527.112 3.729 40 10 KHCBLN COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(C)cc2)C1=O ZINC000100288237 554281476 /nfs/dbraw/zinc/28/14/76/554281476.db2.gz HPVZYPBJZYRUBA-RIYZIHGNSA-N 0 2 560.129 3.674 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000100455627 554395955 /nfs/dbraw/zinc/39/59/55/554395955.db2.gz YIJIYLQDFWDMBF-WUXMJOGZSA-N 0 2 594.530 3.921 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000100460375 554397534 /nfs/dbraw/zinc/39/75/34/554397534.db2.gz GMLTVVBGPFFCJM-VZUCSPMQSA-N 0 2 594.530 3.921 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000100925612 554523984 /nfs/dbraw/zinc/52/39/84/554523984.db2.gz JLUNDIVVCWHDNH-YBEGLDIGSA-N 0 2 539.729 3.523 40 10 KHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(Br)ccc(c43)C2=O)C1=O ZINC000100959041 554541709 /nfs/dbraw/zinc/54/17/09/554541709.db2.gz QESWHAHTJMWFLA-YBEGLDIGSA-N 0 2 598.207 3.941 40 10 KHCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)C2=O)cc1C ZINC000100959067 554541922 /nfs/dbraw/zinc/54/19/22/554541922.db2.gz PRBHGMVPJNPMBG-WQRHYEAKSA-N 0 2 559.376 3.585 40 10 KHCBLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)nn1 ZINC000101001305 554552276 /nfs/dbraw/zinc/55/22/76/554552276.db2.gz TUVFAWAUCSSPBW-CYVLTUHYSA-N 0 2 555.663 3.516 40 10 KHCBLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)nn1 ZINC000101001351 554552331 /nfs/dbraw/zinc/55/23/31/554552331.db2.gz DKBUBGXZVLOHSH-PDGQHHTCSA-N 0 2 576.081 3.779 40 10 KHCBLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)n1 ZINC000101125332 554644873 /nfs/dbraw/zinc/64/48/73/554644873.db2.gz VGHHGBUAAQKQPT-CPNJWEJPSA-N 0 2 573.429 3.776 40 10 KHCBLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)cc2)n1 ZINC000101125584 554644851 /nfs/dbraw/zinc/64/48/51/554644851.db2.gz WBKVMSJKWFCKCX-CPNJWEJPSA-N 0 2 620.429 3.618 40 10 KHCBLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3csc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cs2)cc1 ZINC000101513551 554793343 /nfs/dbraw/zinc/79/33/43/554793343.db2.gz AFRYCIIWDSSNAT-UHFFFAOYSA-N 0 2 592.706 3.785 40 10 KHCBLN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000102588296 1066885246 /nfs/dbraw/zinc/88/52/46/1066885246.db2.gz AHSLJXMAJMMEQK-LYPXWFNGSA-N 0 2 500.433 3.868 40 10 KHCBLN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000102588300 1066885475 /nfs/dbraw/zinc/88/54/75/1066885475.db2.gz AHSLJXMAJMMEQK-GTVARFKMSA-N 0 2 500.433 3.868 40 10 KHCBLN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000102596233 1066885379 /nfs/dbraw/zinc/88/53/79/1066885379.db2.gz RFNFKFPCOYYTFA-LYPXWFNGSA-N 0 2 511.332 3.611 40 10 KHCBLN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000102596237 1066885454 /nfs/dbraw/zinc/88/54/54/1066885454.db2.gz RFNFKFPCOYYTFA-GTVARFKMSA-N 0 2 511.332 3.611 40 10 KHCBLN Cc1c(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000103109360 1066885432 /nfs/dbraw/zinc/88/54/32/1066885432.db2.gz RBJPNQVFSZBIQN-ATVHPVEESA-N 0 2 543.321 3.508 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1O ZINC000103814587 555482332 /nfs/dbraw/zinc/48/23/32/555482332.db2.gz HNOJMGWMPNRRRO-WUXMJOGZSA-N 0 2 557.138 3.743 40 10 KHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)c1 ZINC000103842189 571362403 /nfs/dbraw/zinc/36/24/03/571362403.db2.gz BBCPHBSMBXOQSP-KPKJPENVSA-N 0 2 531.100 3.712 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC(C)C ZINC000103844032 571362794 /nfs/dbraw/zinc/36/27/94/571362794.db2.gz QZQUOHGHXRFMGC-VIZOYTHASA-N 0 2 564.332 3.872 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000103844822 571362911 /nfs/dbraw/zinc/36/29/11/571362911.db2.gz RDJQMTSALPCNFA-GIJQJNRQSA-N 0 2 594.374 3.870 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000103844892 571363008 /nfs/dbraw/zinc/36/30/08/571363008.db2.gz AZHSOVWIAVBYEQ-QGMBQPNBSA-N 0 2 567.913 3.900 40 10 KHCBLN CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000103845057 571363057 /nfs/dbraw/zinc/36/30/57/571363057.db2.gz KAFUWTIHITZGBV-IWTIEGKHSA-N 0 2 564.332 3.872 40 10 KHCBLN CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000103845063 571363125 /nfs/dbraw/zinc/36/31/25/571363125.db2.gz KAFUWTIHITZGBV-QNKXHIPISA-N 0 2 564.332 3.872 40 10 KHCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000103845164 571363035 /nfs/dbraw/zinc/36/30/35/571363035.db2.gz 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ZINC000150404808 571479127 /nfs/dbraw/zinc/47/91/27/571479127.db2.gz POHOVMCVWCXSLN-SDQBBNPISA-N 0 2 610.971 3.825 40 10 KHCBLN CCc1cc(OCc2ccccc2C=C2C(=O)NC(=S)NC2=O)c(CC)cc1COc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000150409553 571481975 /nfs/dbraw/zinc/48/19/75/571481975.db2.gz GMBGOHIVYROZFD-UHFFFAOYSA-N 0 2 654.770 3.798 40 10 KHCBLN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000150469653 571508891 /nfs/dbraw/zinc/50/88/91/571508891.db2.gz GNSKPKSLINTHLG-QURGRASLSA-N 0 2 706.762 3.984 40 10 KHCBLN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000150469658 571508808 /nfs/dbraw/zinc/50/88/08/571508808.db2.gz UVNJEQSBUQFISC-QURGRASLSA-N 0 2 706.762 3.984 40 10 KHCBLN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000150482665 571513271 /nfs/dbraw/zinc/51/32/71/571513271.db2.gz OKNYQULYBMIOLW-WUXMJOGZSA-N 0 2 657.971 3.667 40 10 KHCBLN COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O ZINC000150604158 571522700 /nfs/dbraw/zinc/52/27/00/571522700.db2.gz WLTQBCHZGCWANC-NTUHNPAUSA-N 0 2 671.998 3.970 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000164375216 571546764 /nfs/dbraw/zinc/54/67/64/571546764.db2.gz VDGLGRIBZCDDED-VGOFMYFVSA-N 0 2 617.165 3.801 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000164462012 571548215 /nfs/dbraw/zinc/54/82/15/571548215.db2.gz WMKPQBRTHNPBEZ-OVCLIPMQSA-N 0 2 629.201 3.671 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000164469592 571548564 /nfs/dbraw/zinc/54/85/64/571548564.db2.gz PHPCKDFNLVNPIH-OVCLIPMQSA-N 0 2 629.201 3.671 40 10 KHCBLN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000164726905 571550863 /nfs/dbraw/zinc/55/08/63/571550863.db2.gz POHOVMCVWCXSLN-WUXMJOGZSA-N 0 2 610.971 3.825 40 10 KHCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223147572 571436525 /nfs/dbraw/zinc/43/65/25/571436525.db2.gz VCFKCSDPGMHYEK-CLJLJLNGSA-N 0 2 519.671 3.800 40 10 KHCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223147628 571436433 /nfs/dbraw/zinc/43/64/33/571436433.db2.gz VCFKCSDPGMHYEK-FTJBHMTQSA-N 0 2 519.671 3.800 40 10 KHCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223147690 571436493 /nfs/dbraw/zinc/43/64/93/571436493.db2.gz VCFKCSDPGMHYEK-IZZNHLLZSA-N 0 2 519.671 3.800 40 10 KHCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223147742 571436534 /nfs/dbraw/zinc/43/65/34/571436534.db2.gz VCFKCSDPGMHYEK-UIOOFZCWSA-N 0 2 519.671 3.800 40 10 KHCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223186487 571442355 /nfs/dbraw/zinc/44/23/55/571442355.db2.gz IZCJOZULSNNSQV-CLJLJLNGSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223186549 571442358 /nfs/dbraw/zinc/44/23/58/571442358.db2.gz IZCJOZULSNNSQV-FTJBHMTQSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223186600 571442372 /nfs/dbraw/zinc/44/23/72/571442372.db2.gz IZCJOZULSNNSQV-IZZNHLLZSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223186646 571442417 /nfs/dbraw/zinc/44/24/17/571442417.db2.gz IZCJOZULSNNSQV-UIOOFZCWSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223186723 571442375 /nfs/dbraw/zinc/44/23/75/571442375.db2.gz OTXFZQPELFYXFY-CLJLJLNGSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223186777 571442404 /nfs/dbraw/zinc/44/24/04/571442404.db2.gz OTXFZQPELFYXFY-FTJBHMTQSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223186831 571442392 /nfs/dbraw/zinc/44/23/92/571442392.db2.gz OTXFZQPELFYXFY-IZZNHLLZSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223186878 571442386 /nfs/dbraw/zinc/44/23/86/571442386.db2.gz OTXFZQPELFYXFY-UIOOFZCWSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223186959 571442360 /nfs/dbraw/zinc/44/23/60/571442360.db2.gz RQRBUBWOPMMPOE-CLJLJLNGSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223187011 571442512 /nfs/dbraw/zinc/44/25/12/571442512.db2.gz RQRBUBWOPMMPOE-FTJBHMTQSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223187063 571442564 /nfs/dbraw/zinc/44/25/64/571442564.db2.gz RQRBUBWOPMMPOE-IZZNHLLZSA-N 0 2 519.671 3.882 40 10 KHCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223187111 571442488 /nfs/dbraw/zinc/44/24/88/571442488.db2.gz RQRBUBWOPMMPOE-UIOOFZCWSA-N 0 2 519.671 3.882 40 10 KHCBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2)s1 ZINC000408526129 572156911 /nfs/dbraw/zinc/15/69/11/572156911.db2.gz AARVQUXTJWCOHS-LFIBNONCSA-N 0 2 605.496 3.859 40 10 KHCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)cc1C ZINC000408526178 572157053 /nfs/dbraw/zinc/15/70/53/572157053.db2.gz ADAYFCVROLCIBV-XFXZXTDPSA-N 0 2 577.233 3.598 40 10 KHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)ccc1Br ZINC000408526303 572156998 /nfs/dbraw/zinc/15/69/98/572156998.db2.gz ATXHIPDTDDNWAP-RCCKNPSSSA-N 0 2 569.437 3.815 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N(CC)CC)n(C)c(=O)n3C)C1=O ZINC000408526362 572157881 /nfs/dbraw/zinc/15/78/81/572157881.db2.gz BEBQXSYNQVVJMM-SAPNQHFASA-N 0 2 569.460 3.627 40 10 KHCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408526689 572158272 /nfs/dbraw/zinc/15/82/72/572158272.db2.gz DBUXCIZWPDEJNS-FMIVXFBMSA-N 0 2 577.233 3.598 40 10 KHCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408526781 572158187 /nfs/dbraw/zinc/15/81/87/572158187.db2.gz CLKYQCBXDJRCNF-RCCKNPSSSA-N 0 2 570.606 3.832 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000408526819 572158846 /nfs/dbraw/zinc/15/88/46/572158846.db2.gz CLVDHPOVONRHMH-XQNSMLJCSA-N 0 2 520.567 3.773 40 10 KHCBLN Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408527172 572159754 /nfs/dbraw/zinc/15/97/54/572159754.db2.gz FGSBVHYJDKBKFV-HZHRSRAPSA-N 0 2 534.638 3.689 40 10 KHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408527307 572159775 /nfs/dbraw/zinc/15/97/75/572159775.db2.gz DHNLCDOTGSOOLC-RELWKKBWSA-N 0 2 644.530 3.853 40 10 KHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O ZINC000408527356 572159796 /nfs/dbraw/zinc/15/97/96/572159796.db2.gz DJDLHLUDBKEZDS-YFHOEESVSA-N 0 2 535.152 3.681 40 10 KHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ncc(Br)cc1Br ZINC000408527516 572160985 /nfs/dbraw/zinc/16/09/85/572160985.db2.gz DPNIBEXONXDRBH-VQHVLOKHSA-N 0 2 500.534 3.839 40 10 KHCBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccco1 ZINC000408527751 572161463 /nfs/dbraw/zinc/16/14/63/572161463.db2.gz AACBJVGOBBAMTK-VBKFSLOCSA-N 0 2 528.258 3.770 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000408527783 572161987 /nfs/dbraw/zinc/16/19/87/572161987.db2.gz ABTDXCJFLUWOST-NDENLUEZSA-N 0 2 532.505 3.607 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408527828 572161940 /nfs/dbraw/zinc/16/19/40/572161940.db2.gz ACRMUNPZUYZLOD-VCQCOGNXSA-N 0 2 513.462 3.889 40 10 KHCBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2OC)cc1 ZINC000408527856 572161930 /nfs/dbraw/zinc/16/19/30/572161930.db2.gz ADXQNKKCUOPNDD-XMHGGMMESA-N 0 2 502.479 3.598 40 10 KHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccco2)C1=O ZINC000408527943 572162461 /nfs/dbraw/zinc/16/24/61/572162461.db2.gz AKKBHRDUCZJGEX-QINSGFPZSA-N 0 2 511.284 3.936 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408528067 572162543 /nfs/dbraw/zinc/16/25/43/572162543.db2.gz ARIRPRQAHKITDO-PXLXIMEGSA-N 0 2 516.506 3.988 40 10 KHCBLN COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O ZINC000408528207 572163216 /nfs/dbraw/zinc/16/32/16/572163216.db2.gz HCWWJTVFISRQIT-NBVRZTHBSA-N 0 2 591.484 3.828 40 10 KHCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4cccc5ccccc54)C3=O)c(N3CCCCC3)cc2n(C)c1=O ZINC000408528265 572163013 /nfs/dbraw/zinc/16/30/13/572163013.db2.gz HGMGPDPTUKQSHZ-LVZFUZTISA-N 0 2 524.581 3.599 40 10 KHCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408528382 572163647 /nfs/dbraw/zinc/16/36/47/572163647.db2.gz FVYJAKBQHOVWPW-SILNSSARSA-N 0 2 557.998 3.827 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)C1=O ZINC000408528475 572164451 /nfs/dbraw/zinc/16/44/51/572164451.db2.gz GDQVGXASGZLZSS-OBGWFSINSA-N 0 2 581.471 3.771 40 10 KHCBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1 ZINC000408528521 572164587 /nfs/dbraw/zinc/16/45/87/572164587.db2.gz BMGAHPQVLXDRAH-KGENOOAVSA-N 0 2 502.479 3.598 40 10 KHCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2n(CC)c1=O ZINC000408528547 572165156 /nfs/dbraw/zinc/16/51/56/572165156.db2.gz HVUKPJPLGXFKLE-QINSGFPZSA-N 0 2 526.391 3.801 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408528563 572165078 /nfs/dbraw/zinc/16/50/78/572165078.db2.gz BNHWPQISLPYKCZ-XBQPDYEUSA-N 0 2 513.462 3.889 40 10 KHCBLN Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000408528630 572164956 /nfs/dbraw/zinc/16/49/56/572164956.db2.gz HYMACFBTWQGQIH-HZHRSRAPSA-N 0 2 504.568 3.991 40 10 KHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)C=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408528777 572165510 /nfs/dbraw/zinc/16/55/10/572165510.db2.gz BWSGSUSTSASFED-RDWOUUGISA-N 0 2 513.462 3.889 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2nnc(-c3ccc(OC)cc3)s2)C1=O ZINC000408528970 572166563 /nfs/dbraw/zinc/16/65/63/572166563.db2.gz GMZKIHYVRXSPQF-LFIBNONCSA-N 0 2 528.388 4.117 40 10 KHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)c(C)cc1Br ZINC000408528979 572166455 /nfs/dbraw/zinc/16/64/55/572166455.db2.gz GOUNKHCSSRYOSF-JXMROGBWSA-N 0 2 549.179 3.989 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c1 ZINC000408529056 572166611 /nfs/dbraw/zinc/16/66/11/572166611.db2.gz BXMNZCXKOYXHLQ-CAAGMPDOSA-N 0 2 543.488 3.897 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408529114 572166632 /nfs/dbraw/zinc/16/66/32/572166632.db2.gz CCPJTLNULRVTOH-RGVLZGJSSA-N 0 2 530.489 3.708 40 10 KHCBLN CN(C)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C1=O)n(C)c(=O)n2C ZINC000408529221 572167213 /nfs/dbraw/zinc/16/72/13/572167213.db2.gz HGFIXKSMSBSUHX-HAVVHWLPSA-N 0 2 568.678 3.990 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408529267 572167431 /nfs/dbraw/zinc/16/74/31/572167431.db2.gz COBKDXZZZSRLFB-XDHOZWIPSA-N 0 2 546.532 3.915 40 10 KHCBLN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(Br)cc21 ZINC000408529270 572167326 /nfs/dbraw/zinc/16/73/26/572167326.db2.gz HIIFOXLXACQZBO-KAMYIIQDSA-N 0 2 532.782 3.838 40 10 KHCBLN COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408529318 572168032 /nfs/dbraw/zinc/16/80/32/572168032.db2.gz HLWMLYJIYFQUSR-NBVRZTHBSA-N 0 2 577.457 3.520 40 10 KHCBLN CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529324 572168065 /nfs/dbraw/zinc/16/80/65/572168065.db2.gz CQQFRUQWUOOAFN-DHDCSXOGSA-N 0 2 508.122 3.803 40 10 KHCBLN COc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)sc2c1 ZINC000408529329 572168023 /nfs/dbraw/zinc/16/80/23/572168023.db2.gz HNMHMOXBJJMSGT-UKTHLTGXSA-N 0 2 501.362 4.263 40 10 KHCBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000408530304 572171163 /nfs/dbraw/zinc/17/11/63/572171163.db2.gz DXOOOEQCYRZVAT-UYRXBGFRSA-N 0 2 516.506 3.906 40 10 KHCBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408530331 572171273 /nfs/dbraw/zinc/17/12/73/572171273.db2.gz FAKQHLUBVLYZQK-WQRHYEAKSA-N 0 2 582.306 3.906 40 10 KHCBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000408530628 572172174 /nfs/dbraw/zinc/17/21/74/572172174.db2.gz FKIIYDVPTJYKRI-MOSHPQCFSA-N 0 2 516.506 3.906 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OC(C)=O)C2=O)cc1 ZINC000408530734 572172925 /nfs/dbraw/zinc/17/29/25/572172925.db2.gz FRSXRAMVXSRZOR-NVNXTCNLSA-N 0 2 538.148 3.812 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2OC)C1=O ZINC000408531175 572175133 /nfs/dbraw/zinc/17/51/33/572175133.db2.gz NKLSBQJDGLKJKK-CAPFRKAQSA-N 0 2 520.567 3.637 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408531203 572175171 /nfs/dbraw/zinc/17/51/71/572175171.db2.gz NMYVWLWGRIUMMK-XQNSMLJCSA-N 0 2 520.567 3.773 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408531291 572175666 /nfs/dbraw/zinc/17/56/66/572175666.db2.gz GQDBLINHAYRGMH-YBFXNURJSA-N 0 2 500.463 3.618 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408531608 572176523 /nfs/dbraw/zinc/17/65/23/572176523.db2.gz HCPZDMVWMBDKBH-UDWIEESQSA-N 0 2 530.489 3.708 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O ZINC000408531676 572177153 /nfs/dbraw/zinc/17/71/53/572177153.db2.gz LDSBBKPPLCMFAH-HMMYKYKNSA-N 0 2 561.458 3.765 40 10 KHCBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)s1 ZINC000408531748 572176937 /nfs/dbraw/zinc/17/69/37/572176937.db2.gz LLNSDFBBFQFUCZ-LFIBNONCSA-N 0 2 591.469 3.551 40 10 KHCBLN CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408531924 572178036 /nfs/dbraw/zinc/17/80/36/572178036.db2.gz HOXUKUKEYLIKBG-DHDCSXOGSA-N 0 2 555.122 3.645 40 10 KHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2=O)c1 ZINC000408532014 572178166 /nfs/dbraw/zinc/17/81/66/572178166.db2.gz PIOYLEHOXBICOF-RCCKNPSSSA-N 0 2 504.568 3.991 40 10 KHCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C1=O)n(C)c(=O)n2C ZINC000408532140 572178565 /nfs/dbraw/zinc/17/85/65/572178565.db2.gz MAEOGFOKLIMNHD-DTQAZKPQSA-N 0 2 569.460 3.681 40 10 KHCBLN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)cc21 ZINC000408532174 572178526 /nfs/dbraw/zinc/17/85/26/572178526.db2.gz PVWCRXQPOZDIGK-SDNWHVSQSA-N 0 2 571.388 3.709 40 10 KHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)c(C)cc1Br ZINC000408532318 572179185 /nfs/dbraw/zinc/17/91/85/572179185.db2.gz MIKWZVWUXYKHPA-SDNWHVSQSA-N 0 2 539.390 3.827 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408532531 572180018 /nfs/dbraw/zinc/18/00/18/572180018.db2.gz IICKSRZIUGLTCC-WOJGMQOQSA-N 0 2 500.463 3.618 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccco3)C2=O)c1 ZINC000408532636 572180667 /nfs/dbraw/zinc/18/06/67/572180667.db2.gz IQVUAWLGXHSPAC-BOPFTXTBSA-N 0 2 511.284 3.936 40 10 KHCBLN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1 ZINC000408532694 572180675 /nfs/dbraw/zinc/18/06/75/572180675.db2.gz QUAQAJBCBOOZSY-XMHGGMMESA-N 0 2 526.958 3.728 40 10 KHCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)c1C ZINC000408532809 572180953 /nfs/dbraw/zinc/18/09/53/572180953.db2.gz RCWVUBDENROEFY-SAPNQHFASA-N 0 2 581.471 3.825 40 10 KHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000408532858 572180926 /nfs/dbraw/zinc/18/09/26/572180926.db2.gz RIOPWGFNCSGVDY-HEHNFIMWSA-N 0 2 551.607 3.791 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408532899 572181477 /nfs/dbraw/zinc/18/14/77/572181477.db2.gz MXWSXIYWTJTWMS-STZFKDTASA-N 0 2 526.958 3.728 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408533145 572182128 /nfs/dbraw/zinc/18/21/28/572182128.db2.gz JLCMVKQDHYKADY-UDWIEESQSA-N 0 2 546.532 3.915 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)CC ZINC000408533260 572182595 /nfs/dbraw/zinc/18/25/95/572182595.db2.gz JSEHLRPIOXSKCU-WJDWOHSUSA-N 0 2 534.306 3.672 40 10 KHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408533266 572182624 /nfs/dbraw/zinc/18/26/24/572182624.db2.gz JSEXQEMEKJGJQJ-HFIOFXJDSA-N 0 2 513.462 3.889 40 10 KHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C1=O ZINC000408533616 572184094 /nfs/dbraw/zinc/18/40/94/572184094.db2.gz ONXQDJHNMWQBBK-PYCFMQQDSA-N 0 2 644.530 3.853 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O ZINC000408533634 572183935 /nfs/dbraw/zinc/18/39/35/572183935.db2.gz OQILHYYXZRQKBW-DHZHZOJOSA-N 0 2 549.179 3.935 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408534022 572185380 /nfs/dbraw/zinc/18/53/80/572185380.db2.gz KUENQQYYSKNXAR-LDADJPATSA-N 0 2 530.489 3.708 40 10 KHCBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408534037 572185350 /nfs/dbraw/zinc/18/53/50/572185350.db2.gz KWMGDLYSSWFUGL-GHXNOFRVSA-N 0 2 526.112 3.942 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408534051 572185292 /nfs/dbraw/zinc/18/52/92/572185292.db2.gz KYSULTNCNKVZRH-KGENOOAVSA-N 0 2 531.477 3.888 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408534064 572185275 /nfs/dbraw/zinc/18/52/75/572185275.db2.gz LATLCMABKJGDGE-YBFXNURJSA-N 0 2 500.463 3.618 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)cc1C ZINC000408534137 572185397 /nfs/dbraw/zinc/18/53/97/572185397.db2.gz UYTXTRBBXVEJMQ-OQKWZONESA-N 0 2 551.607 3.791 40 10 KHCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C1=O)n(C)c(=O)n2C ZINC000408534154 572185403 /nfs/dbraw/zinc/18/54/03/572185403.db2.gz VBRVURAOBIRVHI-SSZFMOIBSA-N 0 2 569.460 3.681 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)n(CC)c(=O)n3CC)C1=O ZINC000408534225 572185682 /nfs/dbraw/zinc/18/56/82/572185682.db2.gz PTFFRDQYCOPVRO-GHRIWEEISA-N 0 2 526.391 3.747 40 10 KHCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2n(CC)c1=O ZINC000408534326 572185610 /nfs/dbraw/zinc/18/56/10/572185610.db2.gz QJECZSZJCGUTLD-NTCAYCPXSA-N 0 2 526.391 3.801 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408534368 572186144 /nfs/dbraw/zinc/18/61/44/572186144.db2.gz LQZNHFSTGMFQRO-CPNJWEJPSA-N 0 2 501.451 3.797 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408534473 572186067 /nfs/dbraw/zinc/18/60/67/572186067.db2.gz MAZWGABAGLSKKH-PZBCRXGTSA-N 0 2 543.488 3.897 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408534618 572186484 /nfs/dbraw/zinc/18/64/84/572186484.db2.gz MLEFWDSRRXJTSM-LFIBNONCSA-N 0 2 558.284 3.778 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)C1=O ZINC000408534725 572187155 /nfs/dbraw/zinc/18/71/55/572187155.db2.gz WNZANGBUEWQHAM-OQKWZONESA-N 0 2 537.576 3.660 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1=O ZINC000408534773 572187052 /nfs/dbraw/zinc/18/70/52/572187052.db2.gz RCBIYOMJUJMYIA-CAPFRKAQSA-N 0 2 520.567 3.637 40 10 KHCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C1=O)n(C)c(=O)n2C ZINC000408534801 572187009 /nfs/dbraw/zinc/18/70/09/572187009.db2.gz RFUXRLYIEROMCI-DTQAZKPQSA-N 0 2 569.460 3.681 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000408534859 572187179 /nfs/dbraw/zinc/18/71/79/572187179.db2.gz MSBVZEWJPQCVMZ-MOSHPQCFSA-N 0 2 532.505 3.607 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408534885 572187143 /nfs/dbraw/zinc/18/71/43/572187143.db2.gz MUTGAZLHTVRYIX-VCHYOVAHSA-N 0 2 612.332 3.914 40 10 KHCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2n(CC)c1=O ZINC000408534917 572187671 /nfs/dbraw/zinc/18/76/71/572187671.db2.gz RSLKYCCOZYHAGS-NTCAYCPXSA-N 0 2 526.391 3.801 40 10 KHCBLN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408535004 572187535 /nfs/dbraw/zinc/18/75/35/572187535.db2.gz XCKBIXRTQDHQGF-HMMYKYKNSA-N 0 2 520.567 3.692 40 10 KHCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)c1C ZINC000408535034 572187701 /nfs/dbraw/zinc/18/77/01/572187701.db2.gz SEDSTLYRLOZGNP-JXMROGBWSA-N 0 2 549.179 3.989 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)c(C)c(Br)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408535165 572187942 /nfs/dbraw/zinc/18/79/42/572187942.db2.gz XUWCYOALMSTTRS-XNTDXEJSSA-N 0 2 503.309 3.952 40 10 KHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O ZINC000408535333 572188310 /nfs/dbraw/zinc/18/83/10/572188310.db2.gz SGZLQOWWINPFMA-XDJHFCHBSA-N 0 2 543.967 3.751 40 10 KHCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2n(CC)c1=O ZINC000408535438 572188588 /nfs/dbraw/zinc/18/85/88/572188588.db2.gz SRIRDDPDYNUVSW-SDNWHVSQSA-N 0 2 577.233 3.947 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)c1 ZINC000408535635 572189081 /nfs/dbraw/zinc/18/90/81/572189081.db2.gz OINHZWNYYJOMSU-AXBPCONUSA-N 0 2 543.488 3.897 40 10 KHCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408535742 572189241 /nfs/dbraw/zinc/18/92/41/572189241.db2.gz ZXMWZQBNPSHSQW-NTCAYCPXSA-N 0 2 525.363 3.600 40 10 KHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(Br)c2OC(C)=O)C1=O ZINC000408536148 572190353 /nfs/dbraw/zinc/19/03/53/572190353.db2.gz PYNLPMFSMGFNPR-JYRVWZFOSA-N 0 2 538.148 3.812 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408536189 572190104 /nfs/dbraw/zinc/19/01/04/572190104.db2.gz QFJBBSYPEANNFB-LDADJPATSA-N 0 2 562.531 3.615 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408536212 572190660 /nfs/dbraw/zinc/19/06/60/572190660.db2.gz QIZRTVJGCDWMMI-NQMXVTNKSA-N 0 2 513.462 3.889 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408536219 572190556 /nfs/dbraw/zinc/19/05/56/572190556.db2.gz QJNOICYARSTUTK-DEDYPNTBSA-N 0 2 501.451 3.797 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408536226 572190718 /nfs/dbraw/zinc/19/07/18/572190718.db2.gz QLKNQBANZVYWTM-GZTJUZNOSA-N 0 2 518.453 3.839 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408536243 572190705 /nfs/dbraw/zinc/19/07/05/572190705.db2.gz QRGRPYPWHTWADN-LTRZOUJXSA-N 0 2 543.488 3.897 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408536311 572190665 /nfs/dbraw/zinc/19/06/65/572190665.db2.gz QTZRQUIIYMRVQD-SFQUDFHCSA-N 0 2 505.414 3.628 40 10 KHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3ccc(OC)cc3s2)C1=O ZINC000408536333 572190549 /nfs/dbraw/zinc/19/05/49/572190549.db2.gz WDRQTAIDOXKNOM-GXDHUFHOSA-N 0 2 501.362 4.209 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408536387 572191233 /nfs/dbraw/zinc/19/12/33/572191233.db2.gz REYJFNYKUHLICR-HYARGMPZSA-N 0 2 516.506 3.988 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408536534 572191622 /nfs/dbraw/zinc/19/16/22/572191622.db2.gz RVAJLAYSQALWCR-KPLVBVSQSA-N 0 2 543.488 3.897 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408536553 572191658 /nfs/dbraw/zinc/19/16/58/572191658.db2.gz RYYDWRLRMPULRK-HMMYKYKNSA-N 0 2 516.506 3.988 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C1=O ZINC000408536586 572191666 /nfs/dbraw/zinc/19/16/66/572191666.db2.gz WTMFVGZJHOTWLM-LTGZKZEYSA-N 0 2 504.568 3.937 40 10 KHCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)cc1C ZINC000408536636 572191780 /nfs/dbraw/zinc/19/17/80/572191780.db2.gz WYRVSVZRTBQKEV-KAMYIIQDSA-N 0 2 539.390 3.827 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccco3)C2=O)cc1 ZINC000408536642 572191608 /nfs/dbraw/zinc/19/16/08/572191608.db2.gz SIELQSMLHSETQY-ATVHPVEESA-N 0 2 511.284 3.936 40 10 KHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000408536645 572191530 /nfs/dbraw/zinc/19/15/30/572191530.db2.gz SILTWCWKJYGGLX-AQTBWJFISA-N 0 2 532.505 3.607 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O ZINC000408536659 572191517 /nfs/dbraw/zinc/19/15/17/572191517.db2.gz XBGUHVYKVVKOTH-DYTRJAOYSA-N 0 2 551.607 3.736 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCCCC6)ccc(c54)C3=O)C2=O)cc1C ZINC000408536683 572191840 /nfs/dbraw/zinc/19/18/40/572191840.db2.gz XHBOWZPJIUBSPG-XQNSMLJCSA-N 0 2 537.576 3.714 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408536830 572192216 /nfs/dbraw/zinc/19/22/16/572192216.db2.gz SPHDJJZBCGYYAB-UDWIEESQSA-N 0 2 546.532 3.915 40 10 KHCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2n(CC)c1=O ZINC000408537100 572193457 /nfs/dbraw/zinc/19/34/57/572193457.db2.gz ZDFCNHDPFCDCJP-FOWTUZBSSA-N 0 2 526.391 3.801 40 10 KHCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4cccc5ccccc54)C3=O)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O ZINC000408537236 572193876 /nfs/dbraw/zinc/19/38/76/572193876.db2.gz ZQWFELFWOHRKID-NJNXFGOHSA-N 0 2 601.667 3.936 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408537244 572193639 /nfs/dbraw/zinc/19/36/39/572193639.db2.gz UTRUQVSMKNLZPN-LFIBNONCSA-N 0 2 511.284 3.936 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)C2=O)c1 ZINC000408537349 572194190 /nfs/dbraw/zinc/19/41/90/572194190.db2.gz VKFJSHHKZQADQN-RGVLZGJSSA-N 0 2 562.531 3.615 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408537370 572194256 /nfs/dbraw/zinc/19/42/56/572194256.db2.gz VNTWXOCQRWXURE-GYPNLSDOSA-N 0 2 513.462 3.889 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408537544 572195045 /nfs/dbraw/zinc/19/50/45/572195045.db2.gz WEAZFBDHKDYKHE-UDWIEESQSA-N 0 2 562.531 3.615 40 10 KHCBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)cc2OC)cc1 ZINC000408537546 572194887 /nfs/dbraw/zinc/19/48/87/572194887.db2.gz WEPUXWFIJATKBF-FYJGNVAPSA-N 0 2 502.479 3.598 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537658 572195724 /nfs/dbraw/zinc/19/57/24/572195724.db2.gz WNSVUMRCOTUAPS-FYJGNVAPSA-N 0 2 531.477 3.888 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408537684 572195695 /nfs/dbraw/zinc/19/56/95/572195695.db2.gz WQOWDCHRTHUFOY-GZTJUZNOSA-N 0 2 550.495 3.746 40 10 KHCBLN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(Br)cc21 ZINC000408537723 572195621 /nfs/dbraw/zinc/19/56/21/572195621.db2.gz HAYMWBIXXZEYLO-VAWYXSNFSA-N 0 2 532.782 3.838 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537757 572196139 /nfs/dbraw/zinc/19/61/39/572196139.db2.gz XBIJKGIYIJEXAF-XMHGGMMESA-N 0 2 531.477 3.888 40 10 KHCBLN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=O)N(c4cc(C)c(C)cc4Br)C3=O)cc21 ZINC000408537968 572196400 /nfs/dbraw/zinc/19/64/00/572196400.db2.gz IRBYAYCTYGKCTL-KAMYIIQDSA-N 0 2 571.388 3.709 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408537991 572196621 /nfs/dbraw/zinc/19/66/21/572196621.db2.gz YEJNESDFDVCLFU-VCHYOVAHSA-N 0 2 520.881 3.963 40 10 KHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OC(C)=O)C2=O)c1 ZINC000408538021 572196530 /nfs/dbraw/zinc/19/65/30/572196530.db2.gz YNHYFMJJMYHARY-CHHVJCJISA-N 0 2 538.148 3.812 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408538045 572196817 /nfs/dbraw/zinc/19/68/17/572196817.db2.gz YPSNBUVROOWGMP-DEDYPNTBSA-N 0 2 501.451 3.797 40 10 KHCBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000408538054 572196836 /nfs/dbraw/zinc/19/68/36/572196836.db2.gz YSSPEBHQPUSYCV-ATVHPVEESA-N 0 2 520.469 3.737 40 10 KHCBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000408538071 572196764 /nfs/dbraw/zinc/19/67/64/572196764.db2.gz YUBDSAAOCVWSJY-MOSHPQCFSA-N 0 2 516.506 3.906 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408538227 572197455 /nfs/dbraw/zinc/19/74/55/572197455.db2.gz ZIILGWKDVWXIRE-MLUQCUIJSA-N 0 2 543.488 3.897 40 10 KHCBLN CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408538294 572197593 /nfs/dbraw/zinc/19/75/93/572197593.db2.gz KLPGAAZIDCYUFC-LFVJCYFKSA-N 0 2 534.638 3.641 40 10 KHCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408539301 572201454 /nfs/dbraw/zinc/20/14/54/572201454.db2.gz VFISDTHPXICGNB-CAPFRKAQSA-N 0 2 602.449 3.936 40 10 KHCBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1 ZINC000408541250 572208282 /nfs/dbraw/zinc/20/82/82/572208282.db2.gz FOWSQUPTTOBQKT-WSDLNYQXSA-N 0 2 523.501 3.871 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c(Br)c3)C2=O)cc1 ZINC000408739502 1066562560 /nfs/dbraw/zinc/56/25/60/1066562560.db2.gz CHRYARNONVXVKL-NTUHNPAUSA-N 0 2 510.138 3.895 40 10 KHCBLN CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1I ZINC000408739847 1066562255 /nfs/dbraw/zinc/56/22/55/1066562255.db2.gz GCDFVNMWQXFFQM-NTUHNPAUSA-N 0 2 587.155 3.912 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408739969 1066564758 /nfs/dbraw/zinc/56/47/58/1066564758.db2.gz HCVXOWQMXVWHHC-UDWIEESQSA-N 0 2 503.467 3.857 40 10 KHCBLN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C(=O)NC2=S)cc1 ZINC000408740277 1066564646 /nfs/dbraw/zinc/56/46/46/1066564646.db2.gz FGKOLMFZSJDKAE-WUXMJOGZSA-N 0 2 543.180 3.899 40 10 KHCBLN CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1I ZINC000408740308 1066564735 /nfs/dbraw/zinc/56/47/35/1066564735.db2.gz JXYKOHJVMFPLED-KPKJPENVSA-N 0 2 573.128 3.604 40 10 KHCBLN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)cc1 ZINC000408740370 1066564088 /nfs/dbraw/zinc/56/40/88/1066564088.db2.gz FWIUCMLDLHNPMX-WUXMJOGZSA-N 0 2 590.180 3.741 40 10 KHCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408740438 1066564887 /nfs/dbraw/zinc/56/48/87/1066564887.db2.gz KQANQRGGUPNBKH-NTUHNPAUSA-N 0 2 510.138 3.895 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC ZINC000408740441 1066564778 /nfs/dbraw/zinc/56/47/78/1066564778.db2.gz KRDKLPJVKIMTIY-NTUHNPAUSA-N 0 2 557.138 3.737 40 10 KHCBLN CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)cc(I)c3O)C(=O)NC2=S)c1 ZINC000408740535 1066564239 /nfs/dbraw/zinc/56/42/39/1066564239.db2.gz GTKHHPHURPUGCX-AUWJEWJLSA-N 0 2 573.206 3.989 40 10 KHCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408741125 1066564028 /nfs/dbraw/zinc/56/40/28/1066564028.db2.gz OAOFILXTHYCJNQ-WUXMJOGZSA-N 0 2 572.109 3.637 40 10 KHCBLN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)c1 ZINC000408741321 1066564058 /nfs/dbraw/zinc/56/40/58/1066564058.db2.gz PCZZDUHOBYHCQV-AWNIVKPZSA-N 0 2 620.206 3.831 40 10 KHCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408741334 1066564197 /nfs/dbraw/zinc/56/41/97/1066564197.db2.gz LGWRZKKXCVPNMZ-AWNIVKPZSA-N 0 2 510.138 3.895 40 10 KHCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408741852 1066564124 /nfs/dbraw/zinc/56/41/24/1066564124.db2.gz SJGDSECRRJSRNX-DHDCSXOGSA-N 0 2 506.296 3.673 40 10 KHCBLN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C(=O)NC2=S)c1 ZINC000408741940 1066563506 /nfs/dbraw/zinc/56/35/06/1066563506.db2.gz SXIWHJAZZMDXGC-AWNIVKPZSA-N 0 2 573.206 3.989 40 10 KHCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] ZINC000408742034 1066564312 /nfs/dbraw/zinc/56/43/12/1066564312.db2.gz OWRJEFHYVSJSAR-LFYBBSHMSA-N 0 2 572.109 3.637 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408742402 1066563655 /nfs/dbraw/zinc/56/36/55/1066563655.db2.gz WKAXANWTCAMPIO-FYJGNVAPSA-N 0 2 503.467 3.857 40 10 KHCBLN CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(I)c3O)C(=O)NC2=S)c1 ZINC000408742942 1066563682 /nfs/dbraw/zinc/56/36/82/1066563682.db2.gz UHUCKELYQFDLJM-AUWJEWJLSA-N 0 2 528.755 3.880 40 10 KHCBLN CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1I ZINC000408743037 1066563610 /nfs/dbraw/zinc/56/36/10/1066563610.db2.gz YTKZTDHDVGXZAF-NTUHNPAUSA-N 0 2 603.154 3.613 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OC ZINC000408744429 1066563811 /nfs/dbraw/zinc/56/38/11/1066563811.db2.gz ZSXBMXPJDZHMKA-AWNIVKPZSA-N 0 2 557.138 3.737 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408752226 1066566943 /nfs/dbraw/zinc/56/69/43/1066566943.db2.gz GTWWZPLONKCVSX-OVCLIPMQSA-N 0 2 643.228 3.979 40 10 KHCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408756289 1066565426 /nfs/dbraw/zinc/56/54/26/1066565426.db2.gz RCSWHBYWELAPOM-VGOFMYFVSA-N 0 2 582.201 3.747 40 10 KHCBLN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408757331 1066568859 /nfs/dbraw/zinc/56/88/59/1066568859.db2.gz MBSSZPNJAAKCCM-YBFXNURJSA-N 0 2 510.304 3.826 40 10 KHCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000408758458 1066568474 /nfs/dbraw/zinc/56/84/74/1066568474.db2.gz KIHNTHWBLMTEFE-WUXMJOGZSA-N 0 2 586.136 3.945 40 10 KHCBLN COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408759291 1066568487 /nfs/dbraw/zinc/56/84/87/1066568487.db2.gz BLXNZOFRLFLCAM-VGOFMYFVSA-N 0 2 582.201 3.747 40 10 KHCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408759601 1066568411 /nfs/dbraw/zinc/56/84/11/1066568411.db2.gz HUCKQQHLXVINJC-RIYZIHGNSA-N 0 2 599.175 3.580 40 10 KHCBLN 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KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1O ZINC000408783517 1066213591 /nfs/dbraw/zinc/21/35/91/1066213591.db2.gz MHXKZOXNVJHPFJ-KPKJPENVSA-N 0 2 510.138 3.901 40 10 KHCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408783908 1066577732 /nfs/dbraw/zinc/57/77/32/1066577732.db2.gz QNIFWABTJXYDCI-WUXMJOGZSA-N 0 2 527.658 3.528 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408783955 1066577547 /nfs/dbraw/zinc/57/75/47/1066577547.db2.gz OTQUGQDGXPQRMK-OVCLIPMQSA-N 0 2 537.750 3.719 40 10 KHCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408784249 1066213546 /nfs/dbraw/zinc/21/35/46/1066213546.db2.gz UYQSWDQUJAWLOW-VIZOYTHASA-N 0 2 660.202 3.731 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408784480 1066577653 /nfs/dbraw/zinc/57/76/53/1066577653.db2.gz CMJCIHDEHNYUFZ-OVCLIPMQSA-N 0 2 584.750 3.562 40 10 KHCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408784978 1066577772 /nfs/dbraw/zinc/57/77/72/1066577772.db2.gz WLONOVQSDMADNW-VZUCSPMQSA-N 0 2 572.739 3.645 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000408785055 1066577530 /nfs/dbraw/zinc/57/75/30/1066577530.db2.gz XOLBJKUZSOKCCB-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)c1 ZINC000408785066 1066577701 /nfs/dbraw/zinc/57/77/01/1066577701.db2.gz FRWOSAVMDLHHNZ-YZSQISJMSA-N 0 2 514.582 3.996 40 10 KHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC ZINC000408785373 1066577108 /nfs/dbraw/zinc/57/71/08/1066577108.db2.gz WTLKOCNHUPIWTJ-RIYZIHGNSA-N 0 2 512.687 3.628 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1O ZINC000408785886 1066577189 /nfs/dbraw/zinc/57/71/89/1066577189.db2.gz JGZOSKQQVFUPGA-VZUCSPMQSA-N 0 2 525.739 3.890 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408786298 1066577212 /nfs/dbraw/zinc/57/72/12/1066577212.db2.gz OSIUKBYLJIGYBY-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408786690 1066576686 /nfs/dbraw/zinc/57/66/86/1066576686.db2.gz URVYKCPGFYAVCB-OQLLNIDSSA-N 0 2 554.724 3.553 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC ZINC000408786757 1066576546 /nfs/dbraw/zinc/57/65/46/1066576546.db2.gz NCYTUTTXXUKDIW-OVCLIPMQSA-N 0 2 506.296 3.592 40 10 KHCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408786810 1066214508 /nfs/dbraw/zinc/21/45/08/1066214508.db2.gz WFHOFSVVPZVLFZ-VGOFMYFVSA-N 0 2 552.175 3.738 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408786986 1066576657 /nfs/dbraw/zinc/57/66/57/1066576657.db2.gz PITADAZEBJARRL-OVCLIPMQSA-N 0 2 537.750 3.719 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1O ZINC000408789135 1066579272 /nfs/dbraw/zinc/57/92/72/1066579272.db2.gz JPGUJIBMDGSMKJ-VZUCSPMQSA-N 0 2 572.739 3.733 40 10 KHCBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 ZINC000408790321 1066578750 /nfs/dbraw/zinc/57/87/50/1066578750.db2.gz OXKGTVIUNDWTQO-CIAFOILYSA-N 0 2 501.495 3.666 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408791560 1066578812 /nfs/dbraw/zinc/57/88/12/1066578812.db2.gz YSCCFEJJZHYFKC-LICLKQGHSA-N 0 2 548.333 3.516 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC ZINC000408795492 1066578286 /nfs/dbraw/zinc/57/82/86/1066578286.db2.gz CGXUVVVDPSAQIM-OVCLIPMQSA-N 0 2 504.293 3.821 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408795528 1066214243 /nfs/dbraw/zinc/21/42/43/1066214243.db2.gz CIMYVRBJCGXMOE-SRZZPIQSSA-N 0 2 518.438 3.757 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408795542 1066578067 /nfs/dbraw/zinc/57/80/67/1066578067.db2.gz CIVHBEZUMAZCOD-FYJGNVAPSA-N 0 2 531.477 3.635 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OC(C)C ZINC000408797171 1066578235 /nfs/dbraw/zinc/57/82/35/1066578235.db2.gz BMOGWSPOOKLOAP-CXUHLZMHSA-N 0 2 536.322 3.849 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408797539 1066581076 /nfs/dbraw/zinc/58/10/76/1066581076.db2.gz GMUGOMSTPHYCRC-MHWRWJLKSA-N 0 2 517.332 3.700 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC ZINC000408798345 1066580943 /nfs/dbraw/zinc/58/09/43/1066580943.db2.gz HVALQZVWPATKOE-OQLLNIDSSA-N 0 2 520.323 3.982 40 10 KHCBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408799777 1066580986 /nfs/dbraw/zinc/58/09/86/1066580986.db2.gz LBJOSPUWNBQBBW-OQLLNIDSSA-N 0 2 520.323 3.982 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408799929 1066580996 /nfs/dbraw/zinc/58/09/96/1066580996.db2.gz JLDHCNVHUADUBK-LPYMAVHISA-N 0 2 504.470 3.866 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OC(C)C ZINC000408800300 1066580888 /nfs/dbraw/zinc/58/08/88/1066580888.db2.gz LSICKXHPBPVJDF-LICLKQGHSA-N 0 2 578.359 3.930 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408800327 1066580978 /nfs/dbraw/zinc/58/09/78/1066580978.db2.gz MBENWGYWFIGBAI-MHWRWJLKSA-N 0 2 536.322 3.764 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC ZINC000408800609 1066215242 /nfs/dbraw/zinc/21/52/42/1066215242.db2.gz QEQZABZVBWZBMQ-RIYZIHGNSA-N 0 2 506.296 3.592 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC ZINC000408800646 1066215271 /nfs/dbraw/zinc/21/52/71/1066215271.db2.gz ODMGYCUTYIUJSA-XNTDXEJSSA-N 0 2 506.296 3.755 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408800985 1066581046 /nfs/dbraw/zinc/58/10/46/1066581046.db2.gz QVVCPDWCZVXLOT-MHWRWJLKSA-N 0 2 564.332 3.542 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408801476 1066580470 /nfs/dbraw/zinc/58/04/70/1066580470.db2.gz AXKUVLZAEHSFGL-CXUHLZMHSA-N 0 2 536.322 3.762 40 10 KHCBLN CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408801822 1066580274 /nfs/dbraw/zinc/58/02/74/1066580274.db2.gz CBBLPFMPOLEMLT-OVCLIPMQSA-N 0 2 504.293 3.821 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OC ZINC000408801888 1066215117 /nfs/dbraw/zinc/21/51/17/1066215117.db2.gz WKOHJLLVAIXEGK-AWNIVKPZSA-N 0 2 526.714 3.937 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408802007 1066214990 /nfs/dbraw/zinc/21/49/90/1066214990.db2.gz XTSLAMWZFKICQY-CXUHLZMHSA-N 0 2 564.332 3.540 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408802249 1066580641 /nfs/dbraw/zinc/58/06/41/1066580641.db2.gz XUWSQASFXMRVBW-CXUHLZMHSA-N 0 2 517.332 3.698 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000408802255 1066580357 /nfs/dbraw/zinc/58/03/57/1066580357.db2.gz XWBLQKXCQBCGEV-HYARGMPZSA-N 0 2 501.451 3.627 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408802429 1066580311 /nfs/dbraw/zinc/58/03/11/1066580311.db2.gz DXTWDRMDZDDICY-KGENOOAVSA-N 0 2 501.451 3.627 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC ZINC000408802646 1066580621 /nfs/dbraw/zinc/58/06/21/1066580621.db2.gz ZUANWLRHDVMMDW-OVCLIPMQSA-N 0 2 551.293 3.663 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408803077 1066580245 /nfs/dbraw/zinc/58/02/45/1066580245.db2.gz KZSRKNPLSJSYMQ-LPYMAVHISA-N 0 2 503.467 3.857 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC ZINC000408803111 1066580630 /nfs/dbraw/zinc/58/06/30/1066580630.db2.gz LHSYYYYFWHZURD-MHWRWJLKSA-N 0 2 564.332 3.542 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC ZINC000408803256 1066580514 /nfs/dbraw/zinc/58/05/14/1066580514.db2.gz MZGMAWGLMIMSPQ-OQLLNIDSSA-N 0 2 520.323 3.982 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408803523 1066580386 /nfs/dbraw/zinc/58/03/86/1066580386.db2.gz QARROBGKYULJLT-FYJGNVAPSA-N 0 2 503.467 3.945 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408803551 1066579924 /nfs/dbraw/zinc/57/99/24/1066579924.db2.gz QKKNBJIOJKJGSF-RGVLZGJSSA-N 0 2 518.438 3.757 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408803781 1066579886 /nfs/dbraw/zinc/57/98/86/1066579886.db2.gz ALGIYQNXKRLKSG-KGENOOAVSA-N 0 2 501.451 3.627 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408804248 1066214972 /nfs/dbraw/zinc/21/49/72/1066214972.db2.gz DTDWXDAFAXPCJI-SRZZPIQSSA-N 0 2 518.438 3.757 40 10 KHCBLN CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408804526 1066579982 /nfs/dbraw/zinc/57/99/82/1066579982.db2.gz ARMYXMUQVHCKPF-MHWRWJLKSA-N 0 2 517.332 3.700 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC ZINC000408805597 1066579956 /nfs/dbraw/zinc/57/99/56/1066579956.db2.gz HEASRYXUPGYDHY-MHWRWJLKSA-N 0 2 517.332 3.700 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408805718 1066579806 /nfs/dbraw/zinc/57/98/06/1066579806.db2.gz CGUBNGLWNWDVCP-MHWRWJLKSA-N 0 2 564.332 3.542 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC)c(OC)c3)C2=O)cc1 ZINC000408805739 1066215836 /nfs/dbraw/zinc/21/58/36/1066215836.db2.gz LDRJVCYWZJLMCN-MHWRWJLKSA-N 0 2 517.332 3.700 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408805883 1066579720 /nfs/dbraw/zinc/57/97/20/1066579720.db2.gz LZWQJQFMOLPDLW-FYJGNVAPSA-N 0 2 531.477 3.635 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC ZINC000408805987 1066215912 /nfs/dbraw/zinc/21/59/12/1066215912.db2.gz DKQAYTAXLJXWRK-RIYZIHGNSA-N 0 2 506.296 3.592 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC ZINC000408806104 1066579830 /nfs/dbraw/zinc/57/98/30/1066579830.db2.gz AHDUCSDOJHNHBV-MHWRWJLKSA-N 0 2 536.322 3.764 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC ZINC000408806339 1066579997 /nfs/dbraw/zinc/57/99/97/1066579997.db2.gz MREYZRKGHCCREE-OQLLNIDSSA-N 0 2 506.296 3.673 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000408806396 1066579943 /nfs/dbraw/zinc/57/99/43/1066579943.db2.gz MWQNCNWLVNTWNU-AWNIVKPZSA-N 0 2 512.687 3.628 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408806753 1066579307 /nfs/dbraw/zinc/57/93/07/1066579307.db2.gz BPJABEVLVQYSTE-LPYMAVHISA-N 0 2 531.477 3.635 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408807264 1066580955 /nfs/dbraw/zinc/58/09/55/1066580955.db2.gz KUUCWAPTPQBWES-LPYMAVHISA-N 0 2 503.467 3.857 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408808781 1066215722 /nfs/dbraw/zinc/21/57/22/1066215722.db2.gz NJDSKDLAIJINQR-FYJGNVAPSA-N 0 2 504.470 3.866 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408809531 1066582801 /nfs/dbraw/zinc/58/28/01/1066582801.db2.gz OFZBJLDPDKQVNY-GZTJUZNOSA-N 0 2 578.359 3.932 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000408810078 1066582555 /nfs/dbraw/zinc/58/25/55/1066582555.db2.gz OWROUAPVFGPLMP-GZTJUZNOSA-N 0 2 578.359 3.932 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C ZINC000408810109 1066582701 /nfs/dbraw/zinc/58/27/01/1066582701.db2.gz IEVRGJAYEUMBOE-VIZOYTHASA-N 0 2 504.293 3.820 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408811351 1066582294 /nfs/dbraw/zinc/58/22/94/1066582294.db2.gz NLKLWZGIGZBIML-FYJGNVAPSA-N 0 2 503.467 3.945 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC(C)C ZINC000408811409 1066581979 /nfs/dbraw/zinc/58/19/79/1066581979.db2.gz VLPKSZOMCQCEJB-VIZOYTHASA-N 0 2 551.293 3.662 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408811539 1066582241 /nfs/dbraw/zinc/58/22/41/1066582241.db2.gz NVYRQJFIXNXBEG-OVCLIPMQSA-N 0 2 551.293 3.663 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408811821 1066582260 /nfs/dbraw/zinc/58/22/60/1066582260.db2.gz RSYYUFNNDWYNLP-XNTDXEJSSA-N 0 2 506.296 3.755 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408811961 1066215615 /nfs/dbraw/zinc/21/56/15/1066215615.db2.gz OUXCNJVIOMGEAG-LICLKQGHSA-N 0 2 578.359 3.930 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC ZINC000408812305 1066582017 /nfs/dbraw/zinc/58/20/17/1066582017.db2.gz MOXWZWSWRYWJOR-OQLLNIDSSA-N 0 2 520.323 3.982 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408812718 1066582127 /nfs/dbraw/zinc/58/21/27/1066582127.db2.gz XEABUUJPPNFMPT-MHWRWJLKSA-N 0 2 536.322 3.851 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408815620 1066581475 /nfs/dbraw/zinc/58/14/75/1066581475.db2.gz XKSURYDIBMUVTI-LPYMAVHISA-N 0 2 531.477 3.635 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408816026 1066581530 /nfs/dbraw/zinc/58/15/30/1066581530.db2.gz QRRJYVHLBDMTQI-RGVLZGJSSA-N 0 2 518.438 3.757 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408816323 1066215768 /nfs/dbraw/zinc/21/57/68/1066215768.db2.gz YGMUVJHXZFKBGB-FYJGNVAPSA-N 0 2 503.467 3.857 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OC ZINC000408816489 1066190834 /nfs/dbraw/zinc/19/08/34/1066190834.db2.gz UVBZJCFWFDXYDJ-YRNVUSSQSA-N 0 2 512.687 3.628 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408816599 1066215642 /nfs/dbraw/zinc/21/56/42/1066215642.db2.gz UYNTVOLWGNKUCX-HYARGMPZSA-N 0 2 501.451 3.627 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)C2=O)cc1 ZINC000408817757 1066585583 /nfs/dbraw/zinc/58/55/83/1066585583.db2.gz WEZMQGWVXDLLMR-MHWRWJLKSA-N 0 2 564.332 3.542 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC ZINC000408817778 1066216569 /nfs/dbraw/zinc/21/65/69/1066216569.db2.gz UNFOYWJTWPSJND-KPKJPENVSA-N 0 2 526.714 3.937 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OCC)c3)C2=O)cc1 ZINC000408818287 1066585486 /nfs/dbraw/zinc/58/54/86/1066585486.db2.gz VBSPGQMUNCRCFJ-GZTJUZNOSA-N 0 2 578.359 3.932 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408844031 1066591854 /nfs/dbraw/zinc/59/18/54/1066591854.db2.gz IBSMTAVENMDJEU-RQZCQDPDSA-N 0 2 578.359 3.525 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408844435 1066591782 /nfs/dbraw/zinc/59/17/82/1066591782.db2.gz IWYGUHKKSGWGCP-VGOFMYFVSA-N 0 2 570.165 3.959 40 10 KHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)c1 ZINC000408846157 1066591239 /nfs/dbraw/zinc/59/12/39/1066591239.db2.gz PBUCKGUYMITTEI-HYARGMPZSA-N 0 2 516.554 3.657 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408846367 1066591380 /nfs/dbraw/zinc/59/13/80/1066591380.db2.gz IYNWGCYTWIOOJS-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)OC)c(OCC)c3)C2=O)c1 ZINC000408847375 1066596366 /nfs/dbraw/zinc/59/63/66/1066596366.db2.gz UNXOJGCHZFDSKL-LICLKQGHSA-N 0 2 546.960 3.754 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408847832 1066220854 /nfs/dbraw/zinc/22/08/54/1066220854.db2.gz VWPXDAYKSXAGCM-VCHYOVAHSA-N 0 2 592.386 3.915 40 10 KHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408847999 1066595792 /nfs/dbraw/zinc/59/57/92/1066595792.db2.gz OVFZRDPWXNNLBS-MHWRWJLKSA-N 0 2 528.258 3.946 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000408848030 1066596221 /nfs/dbraw/zinc/59/62/21/1066596221.db2.gz XUHXNIGCGMHFEC-RQZCQDPDSA-N 0 2 578.359 3.525 40 10 KHCBLN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408848128 1066595943 /nfs/dbraw/zinc/59/59/43/1066595943.db2.gz PVYIIVXWXATBSZ-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)cc1 ZINC000408848296 1066595681 /nfs/dbraw/zinc/59/56/81/1066595681.db2.gz SYDBIFDSHODHBT-WSDLNYQXSA-N 0 2 522.517 3.984 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O ZINC000408848836 1066595870 /nfs/dbraw/zinc/59/58/70/1066595870.db2.gz WLPTXQLJWFPKKG-IZZDOVSWSA-N 0 2 514.101 3.731 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408849761 1066595935 /nfs/dbraw/zinc/59/59/35/1066595935.db2.gz YSXPSFSTTAYVAF-RGVLZGJSSA-N 0 2 531.477 3.968 40 10 KHCBLN CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000408850326 1066595225 /nfs/dbraw/zinc/59/52/25/1066595225.db2.gz LJPDBEOMPITSJL-WUXMJOGZSA-N 0 2 591.118 3.743 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I ZINC000408851345 1066221586 /nfs/dbraw/zinc/22/15/86/1066221586.db2.gz BRTNVCBHCRWBEG-LICLKQGHSA-N 0 2 548.333 3.516 40 10 KHCBLN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc(I)c1O ZINC000408851537 1066595192 /nfs/dbraw/zinc/59/51/92/1066595192.db2.gz CLHLOJJNWSWQLT-UXBLZVDNSA-N 0 2 502.692 3.621 40 10 KHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408851622 1066221455 /nfs/dbraw/zinc/22/14/55/1066221455.db2.gz DNHOPAPLELUJBP-VCHYOVAHSA-N 0 2 500.935 3.964 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1I ZINC000408852227 1066221354 /nfs/dbraw/zinc/22/13/54/1066221354.db2.gz DVGFHBMQDNHXQY-GZTJUZNOSA-N 0 2 608.385 3.697 40 10 KHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408852315 1066594659 /nfs/dbraw/zinc/59/46/59/1066594659.db2.gz SJAYHYDPNHAQQL-RQZCQDPDSA-N 0 2 518.394 3.690 40 10 KHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC ZINC000408852729 1066221663 /nfs/dbraw/zinc/22/16/63/1066221663.db2.gz MYMXDDXCMCXJDE-CXUHLZMHSA-N 0 2 506.296 3.592 40 10 KHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408852899 1066594792 /nfs/dbraw/zinc/59/47/92/1066594792.db2.gz OEJVATVWULQBQN-BJMVGYQFSA-N 0 2 521.492 3.967 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408853176 1066594539 /nfs/dbraw/zinc/59/45/39/1066594539.db2.gz ZDZIHZFSKJGAAC-BJMVGYQFSA-N 0 2 521.492 3.967 40 10 KHCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408853930 1066594013 /nfs/dbraw/zinc/59/40/13/1066594013.db2.gz SXHAFDLIHQFAPM-VIZOYTHASA-N 0 2 521.751 3.938 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1 ZINC000408854065 1066594122 /nfs/dbraw/zinc/59/41/22/1066594122.db2.gz WURGAGRRQXXIEQ-VCHYOVAHSA-N 0 2 519.897 3.753 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408854379 1066594234 /nfs/dbraw/zinc/59/42/34/1066594234.db2.gz DMAGHKQCNGCBIC-LICLKQGHSA-N 0 2 501.333 3.674 40 10 KHCBLN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000408854404 1066594034 /nfs/dbraw/zinc/59/40/34/1066594034.db2.gz FDPQNSVEAVHDHT-UXBLZVDNSA-N 0 2 594.143 3.572 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)c(Cl)c1O ZINC000408854707 1066594066 /nfs/dbraw/zinc/59/40/66/1066594066.db2.gz BMADZAZBYYWWOD-VZUCSPMQSA-N 0 2 509.696 3.602 40 10 KHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)OC)c(OCC)c3)C2=O)c1 ZINC000408854974 1066594185 /nfs/dbraw/zinc/59/41/85/1066594185.db2.gz BNVSPOIGKCMCID-LICLKQGHSA-N 0 2 638.411 3.706 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408855943 1066222984 /nfs/dbraw/zinc/22/29/84/1066222984.db2.gz HZPGRFCSJYPXBF-GIJQJNRQSA-N 0 2 549.923 3.761 40 10 KHCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I ZINC000408856266 1066593542 /nfs/dbraw/zinc/59/35/42/1066593542.db2.gz JOFJHBUFDXTYMR-VIZOYTHASA-N 0 2 613.202 3.889 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000408856346 1066593675 /nfs/dbraw/zinc/59/36/75/1066593675.db2.gz HMDYIVGXISGHAJ-XYOKQWHBSA-N 0 2 515.147 3.852 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)cc1 ZINC000408856473 1066222229 /nfs/dbraw/zinc/22/22/29/1066222229.db2.gz KAMXQKFILHNKAX-KPKJPENVSA-N 0 2 531.100 3.712 40 10 KHCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I ZINC000408856481 1066222096 /nfs/dbraw/zinc/22/20/96/1066222096.db2.gz IVSMXLFRUVFEMX-VIZOYTHASA-N 0 2 660.202 3.731 40 10 KHCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408856485 1066593699 /nfs/dbraw/zinc/59/36/99/1066593699.db2.gz IWCWYCXVOLKDNZ-AWNIVKPZSA-N 0 2 556.138 3.569 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000408856537 1066222065 /nfs/dbraw/zinc/22/20/65/1066222065.db2.gz KOOTUAYZDYVVMK-VGOFMYFVSA-N 0 2 664.165 3.643 40 10 KHCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000408857490 1066598178 /nfs/dbraw/zinc/59/81/78/1066598178.db2.gz OOESKLAHMWJLBV-WUXMJOGZSA-N 0 2 592.102 3.710 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000408858169 1066598166 /nfs/dbraw/zinc/59/81/66/1066598166.db2.gz XHEDHJAMWDDNCS-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408858544 1066222420 /nfs/dbraw/zinc/22/24/20/1066222420.db2.gz SXIPIZMTPHGDMX-WOJGMQOQSA-N 0 2 501.333 3.674 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000408858619 1066597664 /nfs/dbraw/zinc/59/76/64/1066597664.db2.gz ZMRXKUZUICSCSA-XYOKQWHBSA-N 0 2 515.147 3.852 40 10 KHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)cc3OC)C2=O)c1 ZINC000408859605 1066597809 /nfs/dbraw/zinc/59/78/09/1066597809.db2.gz YNUOGPYIPXPCSR-OQLLNIDSSA-N 0 2 519.348 3.930 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408859788 1066222949 /nfs/dbraw/zinc/22/29/49/1066222949.db2.gz ZAKBCTDKJSNQBF-RQZCQDPDSA-N 0 2 531.359 3.683 40 10 KHCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408868502 1066599578 /nfs/dbraw/zinc/59/95/78/1066599578.db2.gz ABFWWHXPFXJWHW-GDNBJRDFSA-N 0 2 520.323 3.927 40 10 KHCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408868657 1066599625 /nfs/dbraw/zinc/59/96/25/1066599625.db2.gz NXTFQIFRXOYWFK-WQLSENKSSA-N 0 2 510.259 3.504 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OC(C)C ZINC000408868960 1066599085 /nfs/dbraw/zinc/59/90/85/1066599085.db2.gz QSWQPJKOJFPBOX-JYRVWZFOSA-N 0 2 524.286 3.893 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OCC)c3)C2=O)cc1 ZINC000408871733 1066224005 /nfs/dbraw/zinc/22/40/05/1066224005.db2.gz ZIIJEVDYNHBUOG-WOJGMQOQSA-N 0 2 534.306 3.533 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(I)c1OC ZINC000408871941 1066598886 /nfs/dbraw/zinc/59/88/86/1066598886.db2.gz ZWCLREFMWQHCTG-GDNBJRDFSA-N 0 2 520.323 3.927 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OC ZINC000408872016 1066599151 /nfs/dbraw/zinc/59/91/51/1066599151.db2.gz JCCCIIUOBSKFEC-WQLSENKSSA-N 0 2 510.259 3.504 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OCC)c3)C2=O)cc1 ZINC000408873980 1066598516 /nfs/dbraw/zinc/59/85/16/1066598516.db2.gz YDMQIELYOAGLTF-WOJGMQOQSA-N 0 2 506.296 3.755 40 10 KHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408876679 1066224480 /nfs/dbraw/zinc/22/44/80/1066224480.db2.gz PUCBBRFWFOQIAW-OVCLIPMQSA-N 0 2 527.112 3.729 40 10 KHCBLN CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408877970 1066600035 /nfs/dbraw/zinc/60/00/35/1066600035.db2.gz ZDJKFMLMDXLXDQ-LCYFTJDESA-N 0 2 524.286 3.894 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408878713 1066600179 /nfs/dbraw/zinc/60/01/79/1066600179.db2.gz BLRSGIWVRNZJLW-RGEXLXHISA-N 0 2 524.526 3.967 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O ZINC000408878986 1066224757 /nfs/dbraw/zinc/22/47/57/1066224757.db2.gz CDGFJFUAZMVGGT-IZZDOVSWSA-N 0 2 512.687 3.634 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1O ZINC000408879934 1066600054 /nfs/dbraw/zinc/60/00/54/1066600054.db2.gz GDDPBIPQCNVMIG-RIYZIHGNSA-N 0 2 506.296 3.679 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCC ZINC000408881287 1066600095 /nfs/dbraw/zinc/60/00/95/1066600095.db2.gz KPOVUIVMZOUQLJ-LCYFTJDESA-N 0 2 524.286 3.894 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408882024 1066599888 /nfs/dbraw/zinc/59/98/88/1066599888.db2.gz NHBFCNBVZBKSLC-CJLVFECKSA-N 0 2 506.536 3.828 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408883578 1066224616 /nfs/dbraw/zinc/22/46/16/1066224616.db2.gz UAQRMOQEEJTRAY-DEDYPNTBSA-N 0 2 554.964 3.869 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408883711 1066599423 /nfs/dbraw/zinc/59/94/23/1066599423.db2.gz UKUAIARMRXGFNE-HZHRSRAPSA-N 0 2 536.562 3.836 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408883979 1066599532 /nfs/dbraw/zinc/59/95/32/1066599532.db2.gz VKVVKKSUNJTRTH-RCCKNPSSSA-N 0 2 506.536 3.828 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408884091 1066224374 /nfs/dbraw/zinc/22/43/74/1066224374.db2.gz SPRVKRYNGDOHSK-PXLXIMEGSA-N 0 2 536.562 3.836 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408885680 1066224510 /nfs/dbraw/zinc/22/45/10/1066224510.db2.gz DTDSDOCTBCSBLG-KGENOOAVSA-N 0 2 506.536 3.746 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 ZINC000408885920 1066599658 /nfs/dbraw/zinc/59/96/58/1066599658.db2.gz GWTWHJSXOLSXME-YBFXNURJSA-N 0 2 541.925 3.991 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886025 1066599504 /nfs/dbraw/zinc/59/95/04/1066599504.db2.gz CUQOQSMZOLSURU-XSFVSMFZSA-N 0 2 506.536 3.746 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886400 1066599637 /nfs/dbraw/zinc/59/96/37/1066599637.db2.gz GUDOKGUUNIMDLB-VXLYETTFSA-N 0 2 663.402 3.951 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886412 1066225933 /nfs/dbraw/zinc/22/59/33/1066225933.db2.gz GXGCDWFNCOKKRF-YBFXNURJSA-N 0 2 634.404 3.748 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408887482 1066600774 /nfs/dbraw/zinc/60/07/74/1066600774.db2.gz QZMNCZOZLAHLKI-UDWIEESQSA-N 0 2 676.441 3.829 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408887530 1066225751 /nfs/dbraw/zinc/22/57/51/1066225751.db2.gz PBQZSDCRELPVAS-UDWIEESQSA-N 0 2 541.925 3.991 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408887554 1066600734 /nfs/dbraw/zinc/60/07/34/1066600734.db2.gz RPFUDZXWOWVPDJ-FYJGNVAPSA-N 0 2 504.470 3.866 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 ZINC000408887639 1066600755 /nfs/dbraw/zinc/60/07/55/1066600755.db2.gz QAUJZOPTEAKAJJ-XDHOZWIPSA-N 0 2 557.378 3.897 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1O ZINC000408887914 1066600704 /nfs/dbraw/zinc/60/07/04/1066600704.db2.gz SBXDBAFTCXKXIT-AWNIVKPZSA-N 0 2 512.687 3.715 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408888073 1066600596 /nfs/dbraw/zinc/60/05/96/1066600596.db2.gz WLECVRWMOYGUPO-CJLVFECKSA-N 0 2 534.546 3.606 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888481 1066600483 /nfs/dbraw/zinc/60/04/83/1066600483.db2.gz VWDBBSRJAJFHII-VXLYETTFSA-N 0 2 571.951 3.999 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1O ZINC000408888848 1066600514 /nfs/dbraw/zinc/60/05/14/1066600514.db2.gz BUMRUVRKMFAODZ-YRNVUSSQSA-N 0 2 512.687 3.715 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408888987 1066599993 /nfs/dbraw/zinc/59/99/93/1066599993.db2.gz AGCPYQGFMACBHC-DEDYPNTBSA-N 0 2 504.470 3.866 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408889011 1066600165 /nfs/dbraw/zinc/60/01/65/1066600165.db2.gz APZOWFMVLJQYNL-KGENOOAVSA-N 0 2 599.415 3.978 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408889365 1066601329 /nfs/dbraw/zinc/60/13/29/1066601329.db2.gz DAUWKJUEQHXXNP-HYARGMPZSA-N 0 2 506.536 3.746 40 10 KHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408889395 1066601387 /nfs/dbraw/zinc/60/13/87/1066601387.db2.gz GCQBDNUKAZRDJH-UYRXBGFRSA-N 0 2 510.499 3.577 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408889421 1066225900 /nfs/dbraw/zinc/22/59/00/1066225900.db2.gz GPEOJKMAKLDVBA-KGENOOAVSA-N 0 2 506.536 3.746 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408889811 1066225781 /nfs/dbraw/zinc/22/57/81/1066225781.db2.gz JHQSUJICNDSKJJ-XQNSMLJCSA-N 0 2 506.536 3.828 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1O ZINC000408889856 1066601275 /nfs/dbraw/zinc/60/12/75/1066601275.db2.gz JZWDEXSJHKFKCO-RIYZIHGNSA-N 0 2 506.296 3.679 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408889890 1066601190 /nfs/dbraw/zinc/60/11/90/1066601190.db2.gz KPBGTFKOZJKXFC-PXLXIMEGSA-N 0 2 564.572 3.614 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890058 1066601377 /nfs/dbraw/zinc/60/13/77/1066601377.db2.gz NCTRRTJOSJUSPF-YBFXNURJSA-N 0 2 587.404 3.906 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890085 1066225580 /nfs/dbraw/zinc/22/55/80/1066225580.db2.gz NNNYPHBQHQZGCC-FYJGNVAPSA-N 0 2 551.533 3.736 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408890313 1066601367 /nfs/dbraw/zinc/60/13/67/1066601367.db2.gz RFZFDQLWUXBMMG-DEDYPNTBSA-N 0 2 557.378 3.897 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890475 1066601303 /nfs/dbraw/zinc/60/13/03/1066601303.db2.gz UIWOMJRYSGSUSG-KGENOOAVSA-N 0 2 522.535 3.533 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408890483 1066601207 /nfs/dbraw/zinc/60/12/07/1066601207.db2.gz UMJSIADPTJPADE-XQNSMLJCSA-N 0 2 534.546 3.606 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 ZINC000408890588 1066225804 /nfs/dbraw/zinc/22/58/04/1066225804.db2.gz WBMOHENSWIHSCN-XDHOZWIPSA-N 0 2 512.927 3.788 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1 ZINC000408890921 1066600718 /nfs/dbraw/zinc/60/07/18/1066600718.db2.gz IKWCEDGATAXQGB-FYJGNVAPSA-N 0 2 504.470 3.866 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408891599 1066601259 /nfs/dbraw/zinc/60/12/59/1066601259.db2.gz TVHHQYOBTZZJLU-LPYMAVHISA-N 0 2 504.470 3.866 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408891610 1066601217 /nfs/dbraw/zinc/60/12/17/1066601217.db2.gz TZTLWAGLLLNOGS-HYARGMPZSA-N 0 2 506.536 3.746 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408892427 1066601351 /nfs/dbraw/zinc/60/13/51/1066601351.db2.gz BFMNJQPPMPEEPP-HZHRSRAPSA-N 0 2 564.572 3.614 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(I)c1O ZINC000408892997 1066225827 /nfs/dbraw/zinc/22/58/27/1066225827.db2.gz DVNCZMUGYKSVEJ-ZROIWOOFSA-N 0 2 506.296 3.624 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000408893167 1066601341 /nfs/dbraw/zinc/60/13/41/1066601341.db2.gz FXGSWUSSICNSKP-ONNFQVAWSA-N 0 2 533.105 3.979 40 10 KHCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408893519 1066225337 /nfs/dbraw/zinc/22/53/37/1066225337.db2.gz AWTOUACTCBVDAC-NTUHNPAUSA-N 0 2 510.138 3.895 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408894411 1066190677 /nfs/dbraw/zinc/19/06/77/1066190677.db2.gz HVRVLMIVYKIIJS-AQTBWJFISA-N 0 2 510.499 3.577 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408894658 1066600666 /nfs/dbraw/zinc/60/06/66/1066600666.db2.gz INPQZLLHMDSOSB-DEDYPNTBSA-N 0 2 599.415 3.978 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1O ZINC000408895542 1066600648 /nfs/dbraw/zinc/60/06/48/1066600648.db2.gz NFQSOFQKBXZGJW-LFYBBSHMSA-N 0 2 512.687 3.634 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408895921 1066600744 /nfs/dbraw/zinc/60/07/44/1066600744.db2.gz OKJZVVGUTNGGAP-KGENOOAVSA-N 0 2 554.964 3.869 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896031 1066600764 /nfs/dbraw/zinc/60/07/64/1066600764.db2.gz OYCRRJKNDUERNI-YBFXNURJSA-N 0 2 542.953 3.797 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408896958 1066600690 /nfs/dbraw/zinc/60/06/90/1066600690.db2.gz VAHWKSRXXWUFNJ-DEDYPNTBSA-N 0 2 512.927 3.788 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408897216 1066600578 /nfs/dbraw/zinc/60/05/78/1066600578.db2.gz IJCFHPWWXBWLGI-FYJGNVAPSA-N 0 2 503.486 3.827 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408897350 1066604903 /nfs/dbraw/zinc/60/49/03/1066604903.db2.gz ROULVBYNBYKPHW-UDWIEESQSA-N 0 2 584.990 3.878 40 10 KHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408897589 1066604779 /nfs/dbraw/zinc/60/47/79/1066604779.db2.gz YRIOEBOBTAJOFK-PXLXIMEGSA-N 0 2 564.572 3.614 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1O ZINC000408897729 1066226245 /nfs/dbraw/zinc/22/62/45/1066226245.db2.gz ZOBJDGZFPOQKFO-RIYZIHGNSA-N 0 2 506.296 3.679 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408898115 1066604685 /nfs/dbraw/zinc/60/46/85/1066604685.db2.gz KQTCJJUPQXYLEA-UDWIEESQSA-N 0 2 629.441 3.987 40 10 KHCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000408899293 1066225296 /nfs/dbraw/zinc/22/52/96/1066225296.db2.gz OBEZEVDUIGHKLB-AWNIVKPZSA-N 0 2 711.044 3.877 40 10 KHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)cc1 ZINC000408899384 1066604813 /nfs/dbraw/zinc/60/48/13/1066604813.db2.gz OWCJVZPAMJIXRD-YBEGLDIGSA-N 0 2 536.322 3.851 40 10 KHCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408899714 1066604708 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1066607467 /nfs/dbraw/zinc/60/74/67/1066607467.db2.gz YJYDNMYFRRWCLG-KPKJPENVSA-N 0 2 527.112 3.734 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1O ZINC000408913111 1066606856 /nfs/dbraw/zinc/60/68/56/1066606856.db2.gz SOVDJUVAHDKVGB-VZUCSPMQSA-N 0 2 514.101 3.731 40 10 KHCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408913441 1066228868 /nfs/dbraw/zinc/22/88/68/1066228868.db2.gz UPRAIOQXINQBMW-FYJGNVAPSA-N 0 2 503.486 3.827 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408914980 1066606740 /nfs/dbraw/zinc/60/67/40/1066606740.db2.gz SMJNLXITHOFIFW-MKMNVTDBSA-N 0 2 570.165 3.959 40 10 KHCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408915838 1066606062 /nfs/dbraw/zinc/60/60/62/1066606062.db2.gz ZXEVEXNHFOXNLS-UDWIEESQSA-N 0 2 507.449 3.657 40 10 KHCBLN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000408918756 1066613276 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/nfs/dbraw/zinc/61/50/66/1066615066.db2.gz LTYCWYPFYSPOSC-KQWNVCNZSA-N 0 2 506.536 3.828 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408939970 1066625051 /nfs/dbraw/zinc/62/50/51/1066625051.db2.gz SYPZMJFJIHOXDS-KGENOOAVSA-N 0 2 551.533 3.736 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000408940186 1066625007 /nfs/dbraw/zinc/62/50/07/1066625007.db2.gz UNJJOEIWDMYOBA-HMAPJEAMSA-N 0 2 501.451 3.627 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC ZINC000408940361 1066191694 /nfs/dbraw/zinc/19/16/94/1066191694.db2.gz NWBCCLDPZOKDRI-OQLLNIDSSA-N 0 2 504.293 3.821 40 10 KHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408942855 1066622528 /nfs/dbraw/zinc/62/25/28/1066622528.db2.gz QZZCPDFPYWIFGW-DEDYPNTBSA-N 0 2 541.925 3.991 40 10 KHCBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408943349 1066238353 /nfs/dbraw/zinc/23/83/53/1066238353.db2.gz SAVMZEQBYLEVTG-OQLLNIDSSA-N 0 2 551.293 3.663 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408945437 1066620733 /nfs/dbraw/zinc/62/07/33/1066620733.db2.gz WLMHKCWZNUJSEQ-YBFXNURJSA-N 0 2 663.402 3.951 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408945830 1066620633 /nfs/dbraw/zinc/62/06/33/1066620633.db2.gz XMZNUHBEKXDFLB-YBFXNURJSA-N 0 2 571.951 3.999 40 10 KHCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1C ZINC000408946529 1066619901 /nfs/dbraw/zinc/61/99/01/1066619901.db2.gz AMJUDAUYDXFUHN-RGVLZGJSSA-N 0 2 501.495 3.584 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408947245 1066619474 /nfs/dbraw/zinc/61/94/74/1066619474.db2.gz ZWNRRHUKBJKSCG-UDWIEESQSA-N 0 2 518.438 3.757 40 10 KHCBLN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1 ZINC000408947916 1066632448 /nfs/dbraw/zinc/63/24/48/1066632448.db2.gz DOOKIRGXGUPMKS-KEBDBYFISA-N 0 2 501.495 3.584 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000408948165 1066240462 /nfs/dbraw/zinc/24/04/62/1066240462.db2.gz DXSOWVXWMDOZPD-GIJQJNRQSA-N 0 2 537.887 3.892 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)cc1C ZINC000408949295 1066630362 /nfs/dbraw/zinc/63/03/62/1066630362.db2.gz AOMNKBYFWMNIMZ-WUXMJOGZSA-N 0 2 515.101 3.930 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br)Nc1ccccc1 ZINC000408949353 1066630412 /nfs/dbraw/zinc/63/04/12/1066630412.db2.gz HSUYVTDBKXKAOT-VCHYOVAHSA-N 0 2 564.348 3.862 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408949389 1066630334 /nfs/dbraw/zinc/63/03/34/1066630334.db2.gz HYEBSFUFGZBRIQ-VXLYETTFSA-N 0 2 517.450 3.578 40 10 KHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(I)o2)C1=O ZINC000408949723 1066630305 /nfs/dbraw/zinc/63/03/05/1066630305.db2.gz BVWIOXAJPGRTDB-UXBLZVDNSA-N 0 2 501.074 3.622 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)cc1 ZINC000408949982 1066239154 /nfs/dbraw/zinc/23/91/54/1066239154.db2.gz CWTDDNSFTVFEAM-IZZDOVSWSA-N 0 2 501.074 3.622 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408950409 1066629615 /nfs/dbraw/zinc/62/96/15/1066629615.db2.gz JWPKXKUFVXTHDB-LZYBPNLTSA-N 0 2 548.420 3.699 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408950468 1066238995 /nfs/dbraw/zinc/23/89/95/1066238995.db2.gz KKXGSEYGHYQRSV-GIJQJNRQSA-N 0 2 594.374 3.870 40 10 KHCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000408951058 1066629394 /nfs/dbraw/zinc/62/93/94/1066629394.db2.gz KVHWPRQGQJPBIB-VGOFMYFVSA-N 0 2 503.305 3.642 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408951093 1066241814 /nfs/dbraw/zinc/24/18/14/1066241814.db2.gz LBNNHOMFCHHLNN-QGMBQPNBSA-N 0 2 659.364 3.852 40 10 KHCBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1 ZINC000408951127 1066241619 /nfs/dbraw/zinc/24/16/19/1066241619.db2.gz LNNXURODNXSNLH-CIAFOILYSA-N 0 2 501.495 3.666 40 10 KHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)c1 ZINC000408951294 1066238911 /nfs/dbraw/zinc/23/89/11/1066238911.db2.gz IONDFFXWKYXDSG-IZZDOVSWSA-N 0 2 501.074 3.622 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408951697 1066628876 /nfs/dbraw/zinc/62/88/76/1066628876.db2.gz MIRNDMBUACDGCL-GIJQJNRQSA-N 0 2 517.450 3.578 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408951785 1066242274 /nfs/dbraw/zinc/24/22/74/1066242274.db2.gz MPRWBSKRWTZOFW-WLRTZDKTSA-N 0 2 596.184 3.549 40 10 KHCBLN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408951914 1066628164 /nfs/dbraw/zinc/62/81/64/1066628164.db2.gz MWLBQYNLXVPNAM-VGOFMYFVSA-N 0 2 503.305 3.642 40 10 KHCBLN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000408952435 1066627565 /nfs/dbraw/zinc/62/75/65/1066627565.db2.gz NUVCBMXLNVFBLK-SRZZPIQSSA-N 0 2 526.480 3.814 40 10 KHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)c1 ZINC000408952593 1066627594 /nfs/dbraw/zinc/62/75/94/1066627594.db2.gz LXKWLTFLPPMSIE-WUXMJOGZSA-N 0 2 515.101 3.930 40 10 KHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(I)o2)C1=O ZINC000408952952 1066626982 /nfs/dbraw/zinc/62/69/82/1066626982.db2.gz NJPZBADPFCOOBE-YRNVUSSQSA-N 0 2 515.101 3.876 40 10 KHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)c1C ZINC000408953029 1066192164 /nfs/dbraw/zinc/19/21/64/1066192164.db2.gz NZNNHDSKYBWODZ-IZZDOVSWSA-N 0 2 515.101 3.930 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)cc1 ZINC000408953475 1066637327 /nfs/dbraw/zinc/63/73/27/1066637327.db2.gz PVHGIUSGHUUQSD-KPKJPENVSA-N 0 2 515.101 3.876 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408954025 1066637314 /nfs/dbraw/zinc/63/73/14/1066637314.db2.gz QYJLXFNIMAXLGU-VXLYETTFSA-N 0 2 517.450 3.578 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(N)=O ZINC000408954556 1066636717 /nfs/dbraw/zinc/63/67/17/1066636717.db2.gz RJEPMORPPAPZHD-FOKLQQMPSA-N 0 2 529.593 3.694 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)c(Br)c1O ZINC000408955143 1066636110 /nfs/dbraw/zinc/63/61/10/1066636110.db2.gz SSKNMYDGBWICKH-VZUCSPMQSA-N 0 2 554.147 3.711 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC(C)C ZINC000408955341 1066635976 /nfs/dbraw/zinc/63/59/76/1066635976.db2.gz UEKXNWDTFBSCKQ-MKMNVTDBSA-N 0 2 503.305 3.640 40 10 KHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c(C)c1 ZINC000408955463 1066241645 /nfs/dbraw/zinc/24/16/45/1066241645.db2.gz UMTBOMGQNGBODG-RGVLZGJSSA-N 0 2 501.495 3.584 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408955814 1066635480 /nfs/dbraw/zinc/63/54/80/1066635480.db2.gz URQGVWSTENDANI-GIJQJNRQSA-N 0 2 641.374 3.712 40 10 KHCBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I ZINC000408955946 1066242832 /nfs/dbraw/zinc/24/28/32/1066242832.db2.gz VIJYHXCADAKMHS-LFYBBSHMSA-N 0 2 632.148 3.690 40 10 KHCBLN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1 ZINC000408956805 1066634104 /nfs/dbraw/zinc/63/41/04/1066634104.db2.gz YOEJZCHEBXVGQU-WSDLNYQXSA-N 0 2 522.517 3.984 40 10 KHCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000408962028 1066640271 /nfs/dbraw/zinc/64/02/71/1066640271.db2.gz FSDZISMVUYRELF-RMKNXTFCSA-N 0 2 503.079 3.970 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000408962634 1066639231 /nfs/dbraw/zinc/63/92/31/1066639231.db2.gz IQLFKYQPNOEQGR-BJMVGYQFSA-N 0 2 503.079 3.970 40 10 KHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 ZINC000408964392 1066639390 /nfs/dbraw/zinc/63/93/90/1066639390.db2.gz GRPKLKRFGHUOJW-LDADJPATSA-N 0 2 501.255 3.887 40 10 KHCBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c2C)c1 ZINC000408966499 1066638793 /nfs/dbraw/zinc/63/87/93/1066638793.db2.gz LYUAAKMYLDLKKP-HYARGMPZSA-N 0 2 517.538 3.954 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOCCOc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408971701 1066644945 /nfs/dbraw/zinc/64/49/45/1066644945.db2.gz JPNKMZYDDSLMHG-MOHJPFBDSA-N 0 2 532.549 3.845 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408981358 1066652235 /nfs/dbraw/zinc/65/22/35/1066652235.db2.gz AOQLLKKYZGRSNR-YVLHZVERSA-N 0 2 531.359 3.628 40 10 KHCBLN COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1OC ZINC000408981384 1066652246 /nfs/dbraw/zinc/65/22/46/1066652246.db2.gz ATJSZWXOEACLMA-AUWJEWJLSA-N 0 2 526.714 3.937 40 10 KHCBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408981406 1066652177 /nfs/dbraw/zinc/65/21/77/1066652177.db2.gz BCXSNLLDMKHXRP-MHWRWJLKSA-N 0 2 520.323 3.927 40 10 KHCBLN COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408981551 1066652263 /nfs/dbraw/zinc/65/22/63/1066652263.db2.gz BQRMSJVYIGBROP-NSIKDUERSA-N 0 2 537.750 3.638 40 10 KHCBLN COC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408981561 1066652250 /nfs/dbraw/zinc/65/22/50/1066652250.db2.gz BRCSXBZGWCQFMA-NSIKDUERSA-N 0 2 537.750 3.638 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)OC)c(Br)c3)C2=O)cc1 ZINC000408981681 1066245470 /nfs/dbraw/zinc/24/54/70/1066245470.db2.gz CJTBFXRVVJNVOR-NVNXTCNLSA-N 0 2 521.751 3.883 40 10 KHCBLN COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408981788 1066652204 /nfs/dbraw/zinc/65/22/04/1066652204.db2.gz BUSSSDRVZAISNR-AUWJEWJLSA-N 0 2 507.724 3.629 40 10 KHCBLN CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408982598 1066651656 /nfs/dbraw/zinc/65/16/56/1066651656.db2.gz IENBLQWZTRPXPL-YVLHZVERSA-N 0 2 531.359 3.628 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000408982878 1066651428 /nfs/dbraw/zinc/65/14/28/1066651428.db2.gz ITBQYAFZVORAEJ-CHHVJCJISA-N 0 2 598.777 3.870 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC ZINC000408982946 1066651546 /nfs/dbraw/zinc/65/15/46/1066651546.db2.gz JABUFMNURUGVJF-YBEGLDIGSA-N 0 2 520.323 3.927 40 10 KHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983099 1066651525 /nfs/dbraw/zinc/65/15/25/1066651525.db2.gz KKSWIENDFPURBR-CHHVJCJISA-N 0 2 507.326 3.919 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408983142 1066245513 /nfs/dbraw/zinc/24/55/13/1066245513.db2.gz KXHNYOGNXZUTOM-WQRHYEAKSA-N 0 2 592.386 3.861 40 10 KHCBLN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983577 1066246207 /nfs/dbraw/zinc/24/62/07/1066246207.db2.gz MLBHRXOASIVFFQ-CHHVJCJISA-N 0 2 598.777 3.870 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)OC)c(I)c3)C2=O)cc1 ZINC000408983613 1066246071 /nfs/dbraw/zinc/24/60/71/1066246071.db2.gz MWCDEFBCWCLUIZ-NVNXTCNLSA-N 0 2 660.202 3.676 40 10 KHCBLN COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000408983949 1066246152 /nfs/dbraw/zinc/24/61/52/1066246152.db2.gz OUOASUIEKKTSSE-MLPAPPSSSA-N 0 2 512.687 3.634 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O ZINC000408984062 1066246240 /nfs/dbraw/zinc/24/62/40/1066246240.db2.gz POARWTCIXFDVCQ-XGICHPGQSA-N 0 2 512.687 3.634 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)OC)c(Br)c3)C2=O)cc1 ZINC000408984488 1066649983 /nfs/dbraw/zinc/64/99/83/1066649983.db2.gz RLYVDDBVONJEJA-NVNXTCNLSA-N 0 2 566.202 3.992 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC ZINC000408984675 1066247666 /nfs/dbraw/zinc/24/76/66/1066247666.db2.gz JMQWZDALKJZOTQ-MLPAPPSSSA-N 0 2 526.714 3.937 40 10 KHCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408984936 1066649202 /nfs/dbraw/zinc/64/92/02/1066649202.db2.gz ULCZWOJVVMHMOW-NVNXTCNLSA-N 0 2 568.751 3.861 40 10 KHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408985093 1066649107 /nfs/dbraw/zinc/64/91/07/1066649107.db2.gz VDBOATMEXXEZQZ-WQRHYEAKSA-N 0 2 500.935 3.909 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408985385 1066649325 /nfs/dbraw/zinc/64/93/25/1066649325.db2.gz WQUNLGGGJUBTDR-CHHVJCJISA-N 0 2 507.326 3.919 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)cc1 ZINC000408985474 1066247105 /nfs/dbraw/zinc/24/71/05/1066247105.db2.gz XAKVLFUAMINDBE-NVNXTCNLSA-N 0 2 613.202 3.834 40 10 KHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3OC)C2=O)cc1 ZINC000408985537 1066649085 /nfs/dbraw/zinc/64/90/85/1066649085.db2.gz XGPMSJKNIFQTMW-YBEGLDIGSA-N 0 2 506.296 3.537 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000408985716 1066648503 /nfs/dbraw/zinc/64/85/03/1066648503.db2.gz YAQDCTGEYQSBCM-YVLHZVERSA-N 0 2 531.359 3.628 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408986164 1066246775 /nfs/dbraw/zinc/24/67/75/1066246775.db2.gz ZWBLWNJHEICABF-YVLHZVERSA-N 0 2 531.359 3.628 40 10 KHCBLN O=C(CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408987077 1066647855 /nfs/dbraw/zinc/64/78/55/1066647855.db2.gz AESZTAXTSMOTFF-CPNJWEJPSA-N 0 2 502.508 3.992 40 10 KHCBLN COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408989064 1066657661 /nfs/dbraw/zinc/65/76/61/1066657661.db2.gz JPVZWJBPQQWDPH-NVNXTCNLSA-N 0 2 507.724 3.629 40 10 KHCBLN COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000408989915 1066247746 /nfs/dbraw/zinc/24/77/46/1066247746.db2.gz VOKGOGPLXZUDRB-XGICHPGQSA-N 0 2 541.685 3.836 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408990767 1066656267 /nfs/dbraw/zinc/65/62/67/1066656267.db2.gz LXBAMADKGTVOAR-CPNJWEJPSA-N 0 2 527.522 3.697 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OC)C2=O)cc1 ZINC000409039266 1066257127 /nfs/dbraw/zinc/25/71/27/1066257127.db2.gz CDEOTEXELWUWJE-RIYZIHGNSA-N 0 2 538.148 3.673 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409039310 1066256983 /nfs/dbraw/zinc/25/69/83/1066256983.db2.gz CKYMPARGUGVUCI-BKUYFWCQSA-N 0 2 530.493 3.596 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409039767 1066693497 /nfs/dbraw/zinc/69/34/97/1066693497.db2.gz DJZKEWPMYDBPBQ-XDHOZWIPSA-N 0 2 536.338 3.839 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409039775 1066693322 /nfs/dbraw/zinc/69/33/22/1066693322.db2.gz DLBTUTXELSCECY-LPYMAVHISA-N 0 2 544.520 3.986 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409040580 1066691953 /nfs/dbraw/zinc/69/19/53/1066691953.db2.gz GUVQXFUCXFCROO-RGVLZGJSSA-N 0 2 627.391 3.998 40 10 KHCBLN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409040620 1066692148 /nfs/dbraw/zinc/69/21/48/1066692148.db2.gz HEDWBHCFTBLOOQ-RIYZIHGNSA-N 0 2 510.138 3.982 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409043039 1066689536 /nfs/dbraw/zinc/68/95/36/1066689536.db2.gz PGRYSYJUMDYIHX-OEAKJJBVSA-N 0 2 515.522 3.696 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409043310 1066689469 /nfs/dbraw/zinc/68/94/69/1066689469.db2.gz DUQIUXFQTTVKBU-UDWIEESQSA-N 0 2 627.391 3.992 40 10 KHCBLN 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578.375 3.920 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000409046826 1066686474 /nfs/dbraw/zinc/68/64/74/1066686474.db2.gz KUQPXBHHDGIQFR-DEDYPNTBSA-N 0 2 578.375 3.920 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OC)C2=O)cc1 ZINC000409047066 1066686603 /nfs/dbraw/zinc/68/66/03/1066686603.db2.gz MNAJTGYADCIYAR-RIYZIHGNSA-N 0 2 510.138 3.895 40 10 KHCBLN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 ZINC000409047535 1066699289 /nfs/dbraw/zinc/69/92/89/1066699289.db2.gz OGWJGVFCIDMJDJ-DEDYPNTBSA-N 0 2 520.885 3.932 40 10 KHCBLN COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409047691 1066699418 /nfs/dbraw/zinc/69/94/18/1066699418.db2.gz PUWXCPACYHQZDC-NTUHNPAUSA-N 0 2 525.109 3.795 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 ZINC000409047853 1066699140 /nfs/dbraw/zinc/69/91/40/1066699140.db2.gz PVXYBOZTPOQPSV-WSDLNYQXSA-N 0 2 530.493 3.596 40 10 KHCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409048127 1066699403 /nfs/dbraw/zinc/69/94/03/1066699403.db2.gz QHTNWMQRCLTDGQ-FYJGNVAPSA-N 0 2 500.467 3.587 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409048550 1066698750 /nfs/dbraw/zinc/69/87/50/1066698750.db2.gz RWCNGFWMVFWGDR-PXLXIMEGSA-N 0 2 515.522 3.778 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409048595 1066698696 /nfs/dbraw/zinc/69/86/96/1066698696.db2.gz SLVXBYIHHIQHMC-XDHOZWIPSA-N 0 2 597.365 3.984 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409049134 1066698781 /nfs/dbraw/zinc/69/87/81/1066698781.db2.gz UXTVPEWNFDJVFJ-VXLYETTFSA-N 0 2 642.362 3.892 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409049135 1066698644 /nfs/dbraw/zinc/69/86/44/1066698644.db2.gz UYTRSWMVVNXCBH-VXLYETTFSA-N 0 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WYULPYBNWMWINK-YBFXNURJSA-N 0 2 520.885 3.932 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409050648 1066694969 /nfs/dbraw/zinc/69/49/69/1066694969.db2.gz YCXYORUSDUXUID-KGENOOAVSA-N 0 2 503.486 3.908 40 10 KHCBLN O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 ZINC000409052773 1066697355 /nfs/dbraw/zinc/69/73/55/1066697355.db2.gz AJGVDMAOJUDZTD-DEDYPNTBSA-N 0 2 536.338 3.839 40 10 KHCBLN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1 ZINC000409053271 1066696789 /nfs/dbraw/zinc/69/67/89/1066696789.db2.gz BPXXSZQJTJPLDS-UDWIEESQSA-N 0 2 520.885 3.932 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409054833 1066696825 /nfs/dbraw/zinc/69/68/25/1066696825.db2.gz GVEAVBNJTOHMTQ-PXLXIMEGSA-N 0 2 515.522 3.778 40 10 KHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 ZINC000409054884 1066696697 /nfs/dbraw/zinc/69/66/97/1066696697.db2.gz HAKYCSZNWBHNMI-LPYMAVHISA-N 0 2 503.486 3.827 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409055053 1066696832 /nfs/dbraw/zinc/69/68/32/1066696832.db2.gz HVZHHUYUEZMEAQ-MTJSOVHGSA-N 0 2 530.493 3.596 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409055946 1066696227 /nfs/dbraw/zinc/69/62/27/1066696227.db2.gz KFJUUJQIJOHBJL-DEDYPNTBSA-N 0 2 533.924 3.811 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409056566 1066259631 /nfs/dbraw/zinc/25/96/31/1066259631.db2.gz MUDKWEKHVCPEBT-YBFXNURJSA-N 0 2 566.364 3.847 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000409057015 1066694909 /nfs/dbraw/zinc/69/49/09/1066694909.db2.gz OJUJTCFLBMTUTP-HMAPJEAMSA-N 0 2 515.522 3.696 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409057577 1066700529 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40 10 KHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409070995 1066706419 /nfs/dbraw/zinc/70/64/19/1066706419.db2.gz PQHPZSCSLZAFCC-LDADJPATSA-N 0 2 500.891 3.913 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409071063 1066261423 /nfs/dbraw/zinc/26/14/23/1066261423.db2.gz PWIACWKDVHHIAM-DEDYPNTBSA-N 0 2 542.953 3.791 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409071161 1066706487 /nfs/dbraw/zinc/70/64/87/1066706487.db2.gz FISIWOJGAHERAZ-LDADJPATSA-N 0 2 527.898 3.682 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409071222 1066261396 /nfs/dbraw/zinc/26/13/96/1066261396.db2.gz IRSILDQOGCHMCJ-VCHYOVAHSA-N 0 2 557.924 3.691 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409071233 1066706433 /nfs/dbraw/zinc/70/64/33/1066706433.db2.gz GCBQROBDUZTAMA-XDHOZWIPSA-N 0 2 634.404 3.743 40 10 KHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071250 1066706502 /nfs/dbraw/zinc/70/65/02/1066706502.db2.gz IWBZFJHHPXWMJM-XDHOZWIPSA-N 0 2 527.898 3.682 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000409071354 1066706596 /nfs/dbraw/zinc/70/65/96/1066706596.db2.gz QTQRRGZAPQZUPL-CJLVFECKSA-N 0 2 536.562 3.918 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409071567 1066706519 /nfs/dbraw/zinc/70/65/19/1066706519.db2.gz HGTBCJYWEOGDEW-XDHOZWIPSA-N 0 2 570.963 3.569 40 10 KHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071801 1066261008 /nfs/dbraw/zinc/26/10/08/1066261008.db2.gz SGUPYYKAQIIESM-XDHOZWIPSA-N 0 2 572.349 3.791 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409071829 1066705802 /nfs/dbraw/zinc/70/58/02/1066705802.db2.gz LPDHXWCPHBEBEX-CPNJWEJPSA-N 0 2 512.927 3.783 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071995 1066705827 /nfs/dbraw/zinc/70/58/27/1066705827.db2.gz ADDFDYFPAQHMJK-XSFVSMFZSA-N 0 2 510.499 3.659 40 10 KHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072180 1066705908 /nfs/dbraw/zinc/70/59/08/1066705908.db2.gz JAROOIBYODJEOR-CPNJWEJPSA-N 0 2 500.891 3.913 40 10 KHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072279 1066705886 /nfs/dbraw/zinc/70/58/86/1066705886.db2.gz MXZQVGZDDPQVGV-CPNJWEJPSA-N 0 2 543.351 3.589 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409072305 1066705749 /nfs/dbraw/zinc/70/57/49/1066705749.db2.gz BQYITFXJFGMTPJ-DEDYPNTBSA-N 0 2 570.963 3.569 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072383 1066705870 /nfs/dbraw/zinc/70/58/70/1066705870.db2.gz VHAMROABHLDXIO-CPNJWEJPSA-N 0 2 527.898 3.682 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409072570 1066705837 /nfs/dbraw/zinc/70/58/37/1066705837.db2.gz VZXJQSXKXDPBJM-DEDYPNTBSA-N 0 2 510.499 3.577 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073061 1066705187 /nfs/dbraw/zinc/70/51/87/1066705187.db2.gz USPDMAIQHSNXML-XDHOZWIPSA-N 0 2 530.917 3.922 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409073143 1066705315 /nfs/dbraw/zinc/70/53/15/1066705315.db2.gz VFTGBFGEOIEQSB-XDHOZWIPSA-N 0 2 587.404 3.900 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409073178 1066705231 /nfs/dbraw/zinc/70/52/31/1066705231.db2.gz PKDQUYFDAHKEQK-LDADJPATSA-N 0 2 557.378 3.892 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409073276 1066705161 /nfs/dbraw/zinc/70/51/61/1066705161.db2.gz LTRAAUAEDUDOCD-RCCKNPSSSA-N 0 2 522.535 3.528 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409073503 1066705257 /nfs/dbraw/zinc/70/52/57/1066705257.db2.gz PUXQIURRYPJQLK-CPNJWEJPSA-N 0 2 572.349 3.791 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073539 1066705362 /nfs/dbraw/zinc/70/53/62/1066705362.db2.gz ZTKJLUJXNSTWAJ-DEDYPNTBSA-N 0 2 542.953 3.878 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409073611 1066261177 /nfs/dbraw/zinc/26/11/77/1066261177.db2.gz QNWHXVQKJNAPIQ-KGENOOAVSA-N 0 2 506.536 3.746 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000409073648 1066705296 /nfs/dbraw/zinc/70/52/96/1066705296.db2.gz QXVYODNEQCPKIL-STZFKDTASA-N 0 2 540.937 3.561 40 10 KHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409074046 1066705408 /nfs/dbraw/zinc/70/54/08/1066705408.db2.gz RPNZXIUDLNMVBH-DEDYPNTBSA-N 0 2 500.891 3.913 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409074100 1066704769 /nfs/dbraw/zinc/70/47/69/1066704769.db2.gz KEDBBVPWSRWDDH-XDHOZWIPSA-N 0 2 615.414 3.678 40 10 KHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409074292 1066704537 /nfs/dbraw/zinc/70/45/37/1066704537.db2.gz LLIQHTJKDWKWEW-XMHGGMMESA-N 0 2 527.352 3.883 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075041 1066704711 /nfs/dbraw/zinc/70/47/11/1066704711.db2.gz XAFGTESTQZKEET-YBFXNURJSA-N 0 2 557.924 3.691 40 10 KHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409075370 1066704730 /nfs/dbraw/zinc/70/47/30/1066704730.db2.gz XOKFRSNNEGSSAW-XMHGGMMESA-N 0 2 527.352 3.883 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409075521 1066704561 /nfs/dbraw/zinc/70/45/61/1066704561.db2.gz WOWZQEMIFAEIQK-GHRIWEEISA-N 0 2 512.927 3.783 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409075799 1066704651 /nfs/dbraw/zinc/70/46/51/1066704651.db2.gz YDPVGDPJUBPNOA-DEDYPNTBSA-N 0 2 676.441 3.911 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409076107 1066704199 /nfs/dbraw/zinc/70/41/99/1066704199.db2.gz XVYBPAGISBHCPF-WOJGMQOQSA-N 0 2 530.917 3.922 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409078097 1066709634 /nfs/dbraw/zinc/70/96/34/1066709634.db2.gz HQDAKWGIBOCYJP-UNOMPAQXSA-N 0 2 532.421 3.748 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080973 1066712853 /nfs/dbraw/zinc/71/28/53/1066712853.db2.gz OTOHJIKRZATSES-GZTJUZNOSA-N 0 2 519.382 3.870 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082672 1066712323 /nfs/dbraw/zinc/71/23/23/1066712323.db2.gz TVPNLRRYAGNGTL-GZTJUZNOSA-N 0 2 504.411 3.970 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409082958 1066712386 /nfs/dbraw/zinc/71/23/86/1066712386.db2.gz UIHCQVTUMFIQIN-LDADJPATSA-N 0 2 504.411 3.970 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084674 1066711349 /nfs/dbraw/zinc/71/13/49/1066711349.db2.gz VYUWPVKSXPNPPL-RQZCQDPDSA-N 0 2 549.408 3.879 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409085922 1066710792 /nfs/dbraw/zinc/71/07/92/1066710792.db2.gz PDDGBMKHSNVSPV-UNOMPAQXSA-N 0 2 504.411 3.970 40 10 KHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409086342 1066710812 /nfs/dbraw/zinc/71/08/12/1066710812.db2.gz ZESSMXHUOYTOQU-VCHYOVAHSA-N 0 2 519.382 3.870 40 10 KHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086404 1066710621 /nfs/dbraw/zinc/71/06/21/1066710621.db2.gz VIXDCEDGHYZAFK-LICLKQGHSA-N 0 2 519.382 3.870 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409086569 1066710201 /nfs/dbraw/zinc/71/02/01/1066710201.db2.gz FGIWIXCFTKPLMY-WQRHYEAKSA-N 0 2 519.382 3.870 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409087723 1066720381 /nfs/dbraw/zinc/72/03/81/1066720381.db2.gz HJUNGLRYXUUKQS-LDADJPATSA-N 0 2 532.421 3.748 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409088821 1066720082 /nfs/dbraw/zinc/72/00/82/1066720082.db2.gz HGMHMQAXWKIWQB-WOJGMQOQSA-N 0 2 562.447 3.757 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409088858 1066720000 /nfs/dbraw/zinc/72/00/00/1066720000.db2.gz HIQWGIYTLHFHGF-XDHOZWIPSA-N 0 2 532.421 3.748 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088949 1066719958 /nfs/dbraw/zinc/71/99/58/1066719958.db2.gz HTCOPRJSJZAIHL-LICLKQGHSA-N 0 2 520.410 3.676 40 10 KHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409089482 1066719340 /nfs/dbraw/zinc/71/93/40/1066719340.db2.gz JFZTVVDENBAOEO-WOJGMQOQSA-N 0 2 519.382 3.870 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090944 1066718967 /nfs/dbraw/zinc/71/89/67/1066718967.db2.gz NYFBNUWGCHPOPZ-LICLKQGHSA-N 0 2 549.408 3.879 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409092065 1066717822 /nfs/dbraw/zinc/71/78/22/1066717822.db2.gz SQFXNWKJNDSCRJ-XDHOZWIPSA-N 0 2 504.411 3.970 40 10 KHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409092226 1066717788 /nfs/dbraw/zinc/71/77/88/1066717788.db2.gz UCVFJWRBOBXPLI-ZDLGFXPLSA-N 0 2 519.382 3.870 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1O ZINC000409094739 1066716075 /nfs/dbraw/zinc/71/60/75/1066716075.db2.gz FWFDOPTWBRLQAE-WEVVVXLNSA-N 0 2 533.105 3.979 40 10 KHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409113061 1066264654 /nfs/dbraw/zinc/26/46/54/1066264654.db2.gz GIQJDBHZLZHTKS-GZTJUZNOSA-N 0 2 500.349 3.733 40 10 KHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000409118268 1066734435 /nfs/dbraw/zinc/73/44/35/1066734435.db2.gz PLNNHEZFQVITHS-LICLKQGHSA-N 0 2 500.349 3.733 40 10 KHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)OC(C)C)cc2)C1=O ZINC000409185511 1066270989 /nfs/dbraw/zinc/27/09/89/1066270989.db2.gz ZMGPNBYYGMWPLH-WOJGMQOQSA-N 0 2 501.333 3.754 40 10 KHCBLN O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c([N+](=O)[O-])c1 ZINC000409190365 1066762536 /nfs/dbraw/zinc/76/25/36/1066762536.db2.gz XRLFEJKKTDTOCU-UHFFFAOYSA-N 0 2 521.367 3.752 40 10 KHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409213234 1066767753 /nfs/dbraw/zinc/76/77/53/1066767753.db2.gz TWYFJDZULUBQQT-DEDYPNTBSA-N 0 2 507.344 3.918 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1OC ZINC000409217051 1066767123 /nfs/dbraw/zinc/76/71/23/1066767123.db2.gz RAMPYBSHGRVQHA-OQLLNIDSSA-N 0 2 519.348 3.930 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409217212 1066767079 /nfs/dbraw/zinc/76/70/79/1066767079.db2.gz AKNKIGOUCLAHPO-RGVLZGJSSA-N 0 2 627.391 3.998 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409217388 1066770451 /nfs/dbraw/zinc/77/04/51/1066770451.db2.gz CGHZZXWRLPUOOY-CIAFOILYSA-N 0 2 520.885 3.932 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409217993 1066770602 /nfs/dbraw/zinc/77/06/02/1066770602.db2.gz CACZRRSAXQTZDH-LPYMAVHISA-N 0 2 544.520 3.986 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409218056 1066770425 /nfs/dbraw/zinc/77/04/25/1066770425.db2.gz CMYPYYGYAIBWMV-FYJGNVAPSA-N 0 2 520.885 3.932 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OCC ZINC000409218258 1066770481 /nfs/dbraw/zinc/77/04/81/1066770481.db2.gz DVURALZWKXNUAB-LICLKQGHSA-N 0 2 590.427 3.566 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409218260 1066770404 /nfs/dbraw/zinc/77/04/04/1066770404.db2.gz DWONSNSSGLNRJL-UDWIEESQSA-N 0 2 521.913 3.738 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409218582 1066769956 /nfs/dbraw/zinc/76/99/56/1066769956.db2.gz GIZYMPDXWSERBD-HZHRSRAPSA-N 0 2 557.559 3.864 40 10 KHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OCC(N)=O)c(Br)c2)C1=O ZINC000409218658 1066770113 /nfs/dbraw/zinc/77/01/13/1066770113.db2.gz JLVVYWZGUAYMSJ-UUILKARUSA-N 0 2 571.609 3.704 40 10 KHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409219027 1066770095 /nfs/dbraw/zinc/77/00/95/1066770095.db2.gz ZTHGBIFQLJKRSG-UDWIEESQSA-N 0 2 507.344 3.918 40 10 KHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OCC(N)=O)c(Br)c2)C1=O ZINC000409219117 1066272939 /nfs/dbraw/zinc/27/29/39/1066272939.db2.gz JCHFDAZYQGCYTN-VZUCSPMQSA-N 0 2 571.609 3.704 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000409219228 1066769995 /nfs/dbraw/zinc/76/99/95/1066769995.db2.gz KHWAUTVHUDQVHG-HYARGMPZSA-N 0 2 533.924 3.811 40 10 KHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409220440 1066769978 /nfs/dbraw/zinc/76/99/78/1066769978.db2.gz ZOZQFIQZXDYUFL-BKUYFWCQSA-N 0 2 520.885 3.932 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000409221878 1066274127 /nfs/dbraw/zinc/27/41/27/1066274127.db2.gz BIPITMWRUBYXGW-HYARGMPZSA-N 0 2 515.522 3.696 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409222168 1066769547 /nfs/dbraw/zinc/76/95/47/1066769547.db2.gz BYNYSZKCCMIRLP-CIAFOILYSA-N 0 2 549.967 3.848 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1OCC ZINC000409222212 1066769580 /nfs/dbraw/zinc/76/95/80/1066769580.db2.gz BCNFMPFQABSFNS-OVCLIPMQSA-N 0 2 625.270 3.930 40 10 KHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409222291 1066769500 /nfs/dbraw/zinc/76/95/00/1066769500.db2.gz CBFCMZXAJKYTOH-MTJSOVHGSA-N 0 2 520.885 3.932 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1OCC ZINC000409222388 1066769565 /nfs/dbraw/zinc/76/95/65/1066769565.db2.gz COPWJGLLCMHPCY-OVCLIPMQSA-N 0 2 536.368 3.711 40 10 KHCBLN NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409222507 1066769613 /nfs/dbraw/zinc/76/96/13/1066769613.db2.gz DKDVQSIIRBWUON-XCVCLJGOSA-N 0 2 503.125 3.831 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409223014 1066769392 /nfs/dbraw/zinc/76/93/92/1066769392.db2.gz FVNCWMPYWSMYDW-CIAFOILYSA-N 0 2 530.493 3.596 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409223163 1066769379 /nfs/dbraw/zinc/76/93/79/1066769379.db2.gz FGYXVDGQPCEPFJ-KGENOOAVSA-N 0 2 533.924 3.811 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409223281 1066274062 /nfs/dbraw/zinc/27/40/62/1066274062.db2.gz GRQDLQVCVHOMBC-FYJGNVAPSA-N 0 2 530.493 3.596 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(N)=O ZINC000409223791 1066768993 /nfs/dbraw/zinc/76/89/93/1066768993.db2.gz HWNZGOAPOHEHSK-LFYBBSHMSA-N 0 2 604.184 3.527 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409223881 1066768840 /nfs/dbraw/zinc/76/88/40/1066768840.db2.gz HCRLRNTZVGUOJW-HYARGMPZSA-N 0 2 515.522 3.783 40 10 KHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409224106 1066768789 /nfs/dbraw/zinc/76/87/89/1066768789.db2.gz KKCNDQMPHYCNEA-DEDYPNTBSA-N 0 2 520.885 3.932 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(N)=O ZINC000409224368 1066768906 /nfs/dbraw/zinc/76/89/06/1066768906.db2.gz JMDBKKUREIHXNX-RGVLZGJSSA-N 0 2 580.391 3.567 40 10 KHCBLN NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409224634 1066769007 /nfs/dbraw/zinc/76/90/07/1066769007.db2.gz LKPISUDYKYRSRU-LFYBBSHMSA-N 0 2 602.033 3.505 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409224857 1066273332 /nfs/dbraw/zinc/27/33/32/1066273332.db2.gz LCPHQEOZHYROKJ-HYARGMPZSA-N 0 2 500.467 3.587 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000409224943 1066768884 /nfs/dbraw/zinc/76/88/84/1066768884.db2.gz ODWDYRIUEAXAGQ-HMAPJEAMSA-N 0 2 533.924 3.811 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224966 1066768803 /nfs/dbraw/zinc/76/88/03/1066768803.db2.gz MVODTFXEAUVVEN-RGVLZGJSSA-N 0 2 550.911 3.941 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409225038 1066768975 /nfs/dbraw/zinc/76/89/75/1066768975.db2.gz OAJDGUVTZJTBMO-LFYBBSHMSA-N 0 2 512.733 3.576 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1Cl ZINC000409225085 1066768920 /nfs/dbraw/zinc/76/89/20/1066768920.db2.gz OLHIMAUSYRLRNL-UUILKARUSA-N 0 2 571.609 3.704 40 10 KHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409225285 1066768822 /nfs/dbraw/zinc/76/88/22/1066768822.db2.gz NZLCYFRLOUDWCM-UDWIEESQSA-N 0 2 520.885 3.932 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225321 1066273111 /nfs/dbraw/zinc/27/31/11/1066273111.db2.gz MUVZSVCVDQRPBR-UDWIEESQSA-N 0 2 550.911 3.941 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000409225491 1066768952 /nfs/dbraw/zinc/76/89/52/1066768952.db2.gz RFPHNTFJTVABLH-LPYMAVHISA-N 0 2 500.467 3.587 40 10 KHCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409225867 1066768934 /nfs/dbraw/zinc/76/89/34/1066768934.db2.gz RTHAONPSEMSRSH-UDWIEESQSA-N 0 2 550.365 3.559 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409225981 1066274085 /nfs/dbraw/zinc/27/40/85/1066274085.db2.gz RZZGCXRQGPPUDC-KGENOOAVSA-N 0 2 500.467 3.587 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1OC ZINC000409226023 1066768865 /nfs/dbraw/zinc/76/88/65/1066768865.db2.gz RHISSRDGIYJJAB-VGOFMYFVSA-N 0 2 611.243 3.540 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1 ZINC000409226116 1066768372 /nfs/dbraw/zinc/76/83/72/1066768372.db2.gz OWUILZHUMFZXQH-XKZIYDEJSA-N 0 2 500.467 3.587 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409226331 1066273728 /nfs/dbraw/zinc/27/37/28/1066273728.db2.gz VAGODIWVUGVBHV-LFYBBSHMSA-N 0 2 557.184 3.685 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(N)=O ZINC000409226476 1066768207 /nfs/dbraw/zinc/76/82/07/1066768207.db2.gz SYUMQBGWVBRWAG-CIAFOILYSA-N 0 2 641.418 3.799 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409226904 1066768174 /nfs/dbraw/zinc/76/81/74/1066768174.db2.gz WFEUGLVIWCJPNA-FYJGNVAPSA-N 0 2 500.467 3.587 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409227050 1066768260 /nfs/dbraw/zinc/76/82/60/1066768260.db2.gz XFMBRTJEFAJDSL-HYARGMPZSA-N 0 2 544.520 3.986 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409227244 1066768319 /nfs/dbraw/zinc/76/83/19/1066768319.db2.gz YJTWWONQRLUFHO-FYJGNVAPSA-N 0 2 563.950 3.819 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(N)=O ZINC000409227361 1066771106 /nfs/dbraw/zinc/77/11/06/1066771106.db2.gz XZAYOPYDIHUCSP-CIAFOILYSA-N 0 2 594.418 3.957 40 10 KHCBLN NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409227409 1066770974 /nfs/dbraw/zinc/77/09/74/1066770974.db2.gz YFTDLYYKDIGYBW-FYJGNVAPSA-N 0 2 550.365 3.559 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 ZINC000409227441 1066771073 /nfs/dbraw/zinc/77/10/73/1066771073.db2.gz YQVDYUUVGFARIB-HMAPJEAMSA-N 0 2 500.467 3.587 40 10 KHCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409233641 1066772147 /nfs/dbraw/zinc/77/21/47/1066772147.db2.gz LMQBVOQQNACGKB-ODLFYWEKSA-N 0 2 512.307 3.760 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OC(C)C ZINC000409233839 1066772164 /nfs/dbraw/zinc/77/21/64/1066772164.db2.gz UAQWCXWLNOSSIO-OVCLIPMQSA-N 0 2 521.311 3.539 40 10 KHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409241408 1066773743 /nfs/dbraw/zinc/77/37/43/1066773743.db2.gz XHHVCPAVTGQSGF-VXLYETTFSA-N 0 2 512.307 3.760 40 10 KHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCC)c(OC)c2)C1=O ZINC000409247239 1066274813 /nfs/dbraw/zinc/27/48/13/1066274813.db2.gz HAIOGDHRRNCENF-UVTDQMKNSA-N 0 2 536.322 3.764 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1C ZINC000409247399 1066775685 /nfs/dbraw/zinc/77/56/85/1066775685.db2.gz BZIGXEJDHGLWRE-QRVIBDJDSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409248357 1066775719 /nfs/dbraw/zinc/77/57/19/1066775719.db2.gz FSCLGALWOZPCPH-MTJSOVHGSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(Br)c2OCC(N)=O)C1=O ZINC000409248367 1066775535 /nfs/dbraw/zinc/77/55/35/1066775535.db2.gz FUTWOUNPERSBDW-SDQBBNPISA-N 0 2 571.609 3.704 40 10 KHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OC)c(OCC)c2)C1=O ZINC000409248794 1066775659 /nfs/dbraw/zinc/77/56/59/1066775659.db2.gz QSOCALCUODARRN-GXDHUFHOSA-N 0 2 536.322 3.764 40 10 KHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(O)c(Br)c2Br)C1=O ZINC000409251001 1066774693 /nfs/dbraw/zinc/77/46/93/1066774693.db2.gz ZJGUMKKMZZBYPR-DHZHZOJOSA-N 0 2 540.164 3.991 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251588 1066275171 /nfs/dbraw/zinc/27/51/71/1066275171.db2.gz PUQPJHLGGBTCQK-UUYOSTAYSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000409252009 1066777380 /nfs/dbraw/zinc/77/73/80/1066777380.db2.gz RFVPFNJYGNITFC-BKUYFWCQSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409252368 1066777599 /nfs/dbraw/zinc/77/75/99/1066777599.db2.gz DJXOCVUGABBQQD-ODLFYWEKSA-N 0 2 627.391 3.998 40 10 KHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1Cl ZINC000409252520 1066777456 /nfs/dbraw/zinc/77/74/56/1066777456.db2.gz SXWNCERJSQRZTL-WLRTZDKTSA-N 0 2 571.609 3.704 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c(C)c1 ZINC000409252646 1066777634 /nfs/dbraw/zinc/77/76/34/1066777634.db2.gz UIJAQXUDGIIZBT-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409252668 1066777287 /nfs/dbraw/zinc/77/72/87/1066777287.db2.gz UNWWLUQZHLUZLA-MTJSOVHGSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1 ZINC000409253468 1066776852 /nfs/dbraw/zinc/77/68/52/1066776852.db2.gz BLVWRHHDIONCAS-XKZIYDEJSA-N 0 2 500.467 3.587 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409253686 1066776883 /nfs/dbraw/zinc/77/68/83/1066776883.db2.gz GIMABLSBERUNTK-BKUYFWCQSA-N 0 2 515.522 3.702 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409254011 1066776742 /nfs/dbraw/zinc/77/67/42/1066776742.db2.gz CUMBTHNSWPEKDZ-JCMHNJIXSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1 ZINC000409254402 1066776782 /nfs/dbraw/zinc/77/67/82/1066776782.db2.gz XFPHFLVZEAJZLJ-IWIPYMOSSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 ZINC000409254828 1066776867 /nfs/dbraw/zinc/77/68/67/1066776867.db2.gz IXLJNRYIDZVDAY-HMAPJEAMSA-N 0 2 557.559 3.783 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409254987 1066776903 /nfs/dbraw/zinc/77/69/03/1066776903.db2.gz YTHIZNUOSXZOFD-JCMHNJIXSA-N 0 2 527.533 3.774 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000409255244 1066776664 /nfs/dbraw/zinc/77/66/64/1066776664.db2.gz ZNHCGWMXORABTF-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c(C)c1 ZINC000409255859 1066776246 /nfs/dbraw/zinc/77/62/46/1066776246.db2.gz JDHCGVNWJUBFKT-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409255944 1066776137 /nfs/dbraw/zinc/77/61/37/1066776137.db2.gz MNIWNONVSJELTN-STZFKDTASA-N 0 2 500.467 3.587 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409256163 1066776339 /nfs/dbraw/zinc/77/63/39/1066776339.db2.gz KEWGSZHNGCQVME-STZFKDTASA-N 0 2 514.494 3.896 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1 ZINC000409256550 1066776299 /nfs/dbraw/zinc/77/62/99/1066776299.db2.gz LYWIOBHONXLKGA-ZHZULCJRSA-N 0 2 533.924 3.811 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1 ZINC000409256638 1066775572 /nfs/dbraw/zinc/77/55/72/1066775572.db2.gz PUSONAXPATZMHD-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000409256968 1066776154 /nfs/dbraw/zinc/77/61/54/1066776154.db2.gz QVHLHMNZAYYHBT-UCQKPKSFSA-N 0 2 557.559 3.783 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409257361 1066781244 /nfs/dbraw/zinc/78/12/44/1066781244.db2.gz SHNXBXRFECCISI-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000409257924 1066780603 /nfs/dbraw/zinc/78/06/03/1066780603.db2.gz USMUGVQHPHPTAU-UYRXBGFRSA-N 0 2 563.950 3.819 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409258114 1066780680 /nfs/dbraw/zinc/78/06/80/1066780680.db2.gz RLAXKMHJSNINDY-DEDYPNTBSA-N 0 2 503.486 3.827 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409258173 1066780716 /nfs/dbraw/zinc/78/07/16/1066780716.db2.gz RTXAROIRTAKENM-JCMHNJIXSA-N 0 2 527.533 3.774 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258911 1066275354 /nfs/dbraw/zinc/27/53/54/1066275354.db2.gz YGMKSXCKFJLVSZ-BKUYFWCQSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000409259072 1066780542 /nfs/dbraw/zinc/78/05/42/1066780542.db2.gz ZKZQZJFJNJYFQU-STZFKDTASA-N 0 2 514.494 3.896 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409259395 1066780558 /nfs/dbraw/zinc/78/05/58/1066780558.db2.gz ZFHMQGXTFYHRTJ-RGEXLXHISA-N 0 2 533.924 3.811 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 ZINC000409259494 1066780577 /nfs/dbraw/zinc/78/05/77/1066780577.db2.gz ZYLLUSAQLPJQTH-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409259678 1066780746 /nfs/dbraw/zinc/78/07/46/1066780746.db2.gz CJNCDOVTKFNKEZ-MTJSOVHGSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1 ZINC000409260060 1066780696 /nfs/dbraw/zinc/78/06/96/1066780696.db2.gz KBKIXYCXAQTWOQ-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409260098 1066780487 /nfs/dbraw/zinc/78/04/87/1066780487.db2.gz KQDIZJNGRNQMFR-JCMHNJIXSA-N 0 2 557.559 3.864 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1 ZINC000409260151 1066780658 /nfs/dbraw/zinc/78/06/58/1066780658.db2.gz LOEOGYNSRFSAMD-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409260242 1066780084 /nfs/dbraw/zinc/78/00/84/1066780084.db2.gz NFKIFKOUENYEOM-STZFKDTASA-N 0 2 515.522 3.783 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1 ZINC000409260502 1066779967 /nfs/dbraw/zinc/77/99/67/1066779967.db2.gz REPBFNZHDWUYDH-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1 ZINC000409260767 1066779856 /nfs/dbraw/zinc/77/98/56/1066779856.db2.gz WBBQXWLLBLHWLC-HMAPJEAMSA-N 0 2 557.559 3.783 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409260971 1066779904 /nfs/dbraw/zinc/77/99/04/1066779904.db2.gz ZDCBVVAJQWQOSE-MOSHPQCFSA-N 0 2 530.493 3.596 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409260976 1066779877 /nfs/dbraw/zinc/77/98/77/1066779877.db2.gz ZFHLVURLKOIUCM-WQRHYEAKSA-N 0 2 550.911 3.941 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409261313 1066780069 /nfs/dbraw/zinc/78/00/69/1066780069.db2.gz CUSJVBVEZKDSIE-BKUYFWCQSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261435 1066779928 /nfs/dbraw/zinc/77/99/28/1066779928.db2.gz BUSBSYDPRGUKCF-XKZIYDEJSA-N 0 2 544.520 3.904 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1 ZINC000409261594 1066276153 /nfs/dbraw/zinc/27/61/53/1066276153.db2.gz DYBIPEAFBBCRDK-ZHZULCJRSA-N 0 2 533.924 3.811 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1OCC ZINC000409262236 1066779979 /nfs/dbraw/zinc/77/99/79/1066779979.db2.gz FYGYZYVMBVJRJQ-CXUHLZMHSA-N 0 2 625.270 3.930 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000409262322 1066779187 /nfs/dbraw/zinc/77/91/87/1066779187.db2.gz GTEBCMNIPARMKY-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409262590 1066779401 /nfs/dbraw/zinc/77/94/01/1066779401.db2.gz IBOJZTJMOAOJJD-BKUYFWCQSA-N 0 2 500.467 3.587 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409262882 1066777970 /nfs/dbraw/zinc/77/79/70/1066777970.db2.gz JIHPQCZBSSNOTK-PDGQHHTCSA-N 0 2 550.911 3.941 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1 ZINC000409263066 1066276033 /nfs/dbraw/zinc/27/60/33/1066276033.db2.gz LKQRWBFYZZOOFV-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1 ZINC000409263220 1066276192 /nfs/dbraw/zinc/27/61/92/1066276192.db2.gz BDLPQOWURMOMDJ-IWIPYMOSSA-N 0 2 527.533 3.774 40 10 KHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409263495 1066779332 /nfs/dbraw/zinc/77/93/32/1066779332.db2.gz LIXUIUXDBLNZIA-UYRXBGFRSA-N 0 2 520.885 3.932 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409263526 1066779479 /nfs/dbraw/zinc/77/94/79/1066779479.db2.gz LNFPAFAMHISYQZ-BKUYFWCQSA-N 0 2 515.522 3.702 40 10 KHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccccc1Cl ZINC000409263656 1066779418 /nfs/dbraw/zinc/77/94/18/1066779418.db2.gz NLXUEEDBWQFMLJ-UNOMPAQXSA-N 0 2 520.885 3.932 40 10 KHCBLN Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1C ZINC000409263832 1066779350 /nfs/dbraw/zinc/77/93/50/1066779350.db2.gz OOIDVRBWQGZBGP-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1C ZINC000409263976 1066778794 /nfs/dbraw/zinc/77/87/94/1066778794.db2.gz DFZPXBGGDJADCZ-QRVIBDJDSA-N 0 2 514.494 3.896 40 10 KHCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409263986 1066779449 /nfs/dbraw/zinc/77/94/49/1066779449.db2.gz DGWJYAVBXPLAIJ-AWNIVKPZSA-N 0 2 602.033 3.505 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409264292 1066778774 /nfs/dbraw/zinc/77/87/74/1066778774.db2.gz OLPJYCAKNAHYMW-NDENLUEZSA-N 0 2 530.493 3.596 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409264396 1066778852 /nfs/dbraw/zinc/77/88/52/1066778852.db2.gz FNTZSVUMQYWNOB-XKZIYDEJSA-N 0 2 515.522 3.702 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409264608 1066778543 /nfs/dbraw/zinc/77/85/43/1066778543.db2.gz LJCIPINGVKEQDN-STZFKDTASA-N 0 2 514.494 3.896 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccccc1Cl ZINC000409264678 1066778622 /nfs/dbraw/zinc/77/86/22/1066778622.db2.gz RCVXUYXAGULRCK-UNOMPAQXSA-N 0 2 520.885 3.932 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c(C)c1 ZINC000409264766 1066778567 /nfs/dbraw/zinc/77/85/67/1066778567.db2.gz QAAJGNZOXMSWMN-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409265199 1066778268 /nfs/dbraw/zinc/77/82/68/1066778268.db2.gz RHQYQCHZZCASBI-BKUYFWCQSA-N 0 2 544.520 3.986 40 10 KHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000409265342 1066276235 /nfs/dbraw/zinc/27/62/35/1066276235.db2.gz HRJZFTXHZDKYEG-UCQKPKSFSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409265384 1066778644 /nfs/dbraw/zinc/77/86/44/1066778644.db2.gz UOENMZIUPIHTAV-BKUYFWCQSA-N 0 2 500.467 3.587 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409265503 1066778829 /nfs/dbraw/zinc/77/88/29/1066778829.db2.gz VGVZZCLEZRFLQT-BKUYFWCQSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409265534 1066778595 /nfs/dbraw/zinc/77/85/95/1066778595.db2.gz VKHXBRZHFDCHQV-MOSHPQCFSA-N 0 2 500.467 3.587 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409265567 1066778841 /nfs/dbraw/zinc/77/88/41/1066778841.db2.gz TYFXHRASGAURBW-UYRXBGFRSA-N 0 2 520.885 3.932 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 ZINC000409265736 1066778753 /nfs/dbraw/zinc/77/87/53/1066778753.db2.gz OHJWTYDLPBKGFW-HMAPJEAMSA-N 0 2 557.559 3.783 40 10 KHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409266258 1066778691 /nfs/dbraw/zinc/77/86/91/1066778691.db2.gz QDJNAXLDLMTPPE-PDGQHHTCSA-N 0 2 520.885 3.932 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409266361 1066276088 /nfs/dbraw/zinc/27/60/88/1066276088.db2.gz YFIXDBUYGUTGNR-STZFKDTASA-N 0 2 544.520 3.986 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1 ZINC000409266476 1066778216 /nfs/dbraw/zinc/77/82/16/1066778216.db2.gz ZEAZACIZWXLWHN-KGENOOAVSA-N 0 2 515.522 3.696 40 10 KHCBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409266558 1066778119 /nfs/dbraw/zinc/77/81/19/1066778119.db2.gz ZXSFKNXTYNLFNL-ZHZULCJRSA-N 0 2 500.467 3.587 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1 ZINC000409266901 1066778024 /nfs/dbraw/zinc/77/80/24/1066778024.db2.gz SAWHSJMCKVPGJT-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 ZINC000409267117 1066778204 /nfs/dbraw/zinc/77/82/04/1066778204.db2.gz SMBUONCJNIWVPG-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)C2=O)cc1 ZINC000409267294 1066778185 /nfs/dbraw/zinc/77/81/85/1066778185.db2.gz UMTGGEDYQNIQSM-HAHDFKILSA-N 0 2 527.533 3.774 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409267445 1066783414 /nfs/dbraw/zinc/78/34/14/1066783414.db2.gz VQGRICAAHWBDGQ-BKUYFWCQSA-N 0 2 544.520 3.904 40 10 KHCBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1C ZINC000409267744 1066783286 /nfs/dbraw/zinc/78/32/86/1066783286.db2.gz WCIPEYDYQXTYSY-XKZIYDEJSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000409268010 1066783387 /nfs/dbraw/zinc/78/33/87/1066783387.db2.gz YQPALQHBVIKJRX-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409268134 1066782986 /nfs/dbraw/zinc/78/29/86/1066782986.db2.gz QHSFMQJYDNEIJC-STZFKDTASA-N 0 2 500.467 3.587 40 10 KHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(Br)c2OCC(N)=O)C1=O ZINC000409268184 1066782747 /nfs/dbraw/zinc/78/27/47/1066782747.db2.gz RFZOYRAJVXGITR-WLRTZDKTSA-N 0 2 571.609 3.704 40 10 KHCBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 ZINC000409268620 1066782854 /nfs/dbraw/zinc/78/28/54/1066782854.db2.gz WQYWEAZGBDZEAK-HMAPJEAMSA-N 0 2 500.467 3.587 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c(C)c1 ZINC000409268897 1066782815 /nfs/dbraw/zinc/78/28/15/1066782815.db2.gz ZFXUHUYPHVFIEE-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409269032 1066782829 /nfs/dbraw/zinc/78/28/29/1066782829.db2.gz DCVWLHJHEVAFSP-AQTBWJFISA-N 0 2 520.885 3.932 40 10 KHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1OC ZINC000409269353 1066782929 /nfs/dbraw/zinc/78/29/29/1066782929.db2.gz HSAODUZKMRCZEP-NVNXTCNLSA-N 0 2 611.243 3.540 40 10 KHCBLN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409269671 1066782366 /nfs/dbraw/zinc/78/23/66/1066782366.db2.gz LJIRLRWCTBUJOH-BKUYFWCQSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1C ZINC000409269949 1066276320 /nfs/dbraw/zinc/27/63/20/1066276320.db2.gz MMIOATFROLMVEI-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1C ZINC000409271258 1066781731 /nfs/dbraw/zinc/78/17/31/1066781731.db2.gz TUQIMAIVPKJNKQ-HMAPJEAMSA-N 0 2 514.494 3.896 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409272150 1066781266 /nfs/dbraw/zinc/78/12/66/1066781266.db2.gz PABJLMPLLXVGGI-PDGQHHTCSA-N 0 2 521.913 3.738 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C ZINC000409273652 1066784848 /nfs/dbraw/zinc/78/48/48/1066784848.db2.gz ZTSROVOAXBWGTA-UCQKPKSFSA-N 0 2 514.494 3.896 40 10 KHCBLN CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409352821 1066801348 /nfs/dbraw/zinc/80/13/48/1066801348.db2.gz DXVXPSOXBJHNFG-NVNXTCNLSA-N 0 2 504.293 3.821 40 10 KHCBLN CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409354463 1066800831 /nfs/dbraw/zinc/80/08/31/1066800831.db2.gz FURMZCWUNFXUSF-DHDCSXOGSA-N 0 2 504.293 3.821 40 10 KHCBLN CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000409357019 1066799626 /nfs/dbraw/zinc/79/96/26/1066799626.db2.gz IEUYHOMRCAGQQC-YBEGLDIGSA-N 0 2 517.332 3.700 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000409361192 1066806406 /nfs/dbraw/zinc/80/64/06/1066806406.db2.gz AMEBIHRHNXBIAW-FYJGNVAPSA-N 0 2 519.485 3.527 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409361204 1066806327 /nfs/dbraw/zinc/80/63/27/1066806327.db2.gz ATNPAGRSTQUOCC-HZHRSRAPSA-N 0 2 503.486 3.908 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000409361341 1066806303 /nfs/dbraw/zinc/80/63/03/1066806303.db2.gz CMUUSDWWVQPAKR-JAIQZWGSSA-N 0 2 581.940 3.958 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000409362031 1066805597 /nfs/dbraw/zinc/80/55/97/1066805597.db2.gz FFRQWWNMCAZFQU-ODLFYWEKSA-N 0 2 509.877 3.869 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409362111 1066805771 /nfs/dbraw/zinc/80/57/71/1066805771.db2.gz FPQNXXPFUAGTHR-MTJSOVHGSA-N 0 2 548.483 3.817 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000409362126 1066805677 /nfs/dbraw/zinc/80/56/77/1066805677.db2.gz FVIPNBSLJSYDBZ-JAIQZWGSSA-N 0 2 673.391 3.909 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000409362173 1066805565 /nfs/dbraw/zinc/80/55/65/1066805565.db2.gz GASIGKYVWGHIDD-PXLXIMEGSA-N 0 2 503.486 3.908 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409362532 1066805748 /nfs/dbraw/zinc/80/57/48/1066805748.db2.gz HPIQFHFSXVGANO-ODLFYWEKSA-N 0 2 554.328 3.978 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409362562 1066805621 /nfs/dbraw/zinc/80/56/21/1066805621.db2.gz IBDKOLLGSCPQJN-HYARGMPZSA-N 0 2 533.512 3.917 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409362591 1066805699 /nfs/dbraw/zinc/80/56/99/1066805699.db2.gz INDFFILBRBXNTK-HMAPJEAMSA-N 0 2 561.522 3.695 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362621 1066805841 /nfs/dbraw/zinc/80/58/41/1066805841.db2.gz IPSYLJQUOHIVCE-GRSHGNNSSA-N 0 2 631.354 3.828 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363043 1066805177 /nfs/dbraw/zinc/80/51/77/1066805177.db2.gz JDDYPJXICJYOIH-GRSHGNNSSA-N 0 2 584.354 3.986 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409363236 1066805038 /nfs/dbraw/zinc/80/50/38/1066805038.db2.gz KLSQOFKVIZGXQE-STZFKDTASA-N 0 2 503.486 3.908 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000409363245 1066805090 /nfs/dbraw/zinc/80/50/90/1066805090.db2.gz KPGZADHNPBTMRX-HZHRSRAPSA-N 0 2 503.486 3.908 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000409363670 1066805134 /nfs/dbraw/zinc/80/51/34/1066805134.db2.gz MAPVBIYSDWMCBM-NDENLUEZSA-N 0 2 551.914 3.950 40 10 KHCBLN O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409364402 1066804512 /nfs/dbraw/zinc/80/45/12/1066804512.db2.gz PKGATYKGYLJYIK-NDENLUEZSA-N 0 2 554.328 3.978 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409364611 1066804401 /nfs/dbraw/zinc/80/44/01/1066804401.db2.gz QLAUFNWLOLOLBO-BKUYFWCQSA-N 0 2 548.483 3.817 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365026 1066804451 /nfs/dbraw/zinc/80/44/51/1066804451.db2.gz SFGKIOZONNFRGN-GRSHGNNSSA-N 0 2 539.903 3.877 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000409365677 1066804601 /nfs/dbraw/zinc/80/46/01/1066804601.db2.gz VSEYJBXOVMAKCU-HYARGMPZSA-N 0 2 533.512 3.917 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000409365727 1066804429 /nfs/dbraw/zinc/80/44/29/1066804429.db2.gz WPDLOAYDSKPSEV-BKUYFWCQSA-N 0 2 551.914 3.950 40 10 KHCBLN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409365982 1066803754 /nfs/dbraw/zinc/80/37/54/1066803754.db2.gz WVPDEPXBWJUFOF-NDENLUEZSA-N 0 2 509.877 3.869 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409366288 1066803783 /nfs/dbraw/zinc/80/37/83/1066803783.db2.gz ZTMAMJFRJSLCRV-BKUYFWCQSA-N 0 2 519.485 3.614 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000409369889 1066811749 /nfs/dbraw/zinc/81/17/49/1066811749.db2.gz HCXXNAKUXRQJJM-HMMYKYKNSA-N 0 2 503.486 3.908 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000409370435 1066811696 /nfs/dbraw/zinc/81/16/96/1066811696.db2.gz QSZRWLYOFRUHNP-CJLVFECKSA-N 0 2 515.522 3.778 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000409370480 1066283488 /nfs/dbraw/zinc/28/34/88/1066283488.db2.gz RORBMCMTEJFFIZ-PDGQHHTCSA-N 0 2 551.914 3.950 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409370488 1066811669 /nfs/dbraw/zinc/81/16/69/1066811669.db2.gz RSIMJQDQQLVTQA-UNOMPAQXSA-N 0 2 548.483 3.817 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000409370861 1066811737 /nfs/dbraw/zinc/81/17/37/1066811737.db2.gz UXFPDAQIKPVFPU-XSFVSMFZSA-N 0 2 533.512 3.917 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409372480 1066810964 /nfs/dbraw/zinc/81/09/64/1066810964.db2.gz ZIYSJWBJKHXBDO-LTGZKZEYSA-N 0 2 515.522 3.778 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409374991 1066809347 /nfs/dbraw/zinc/80/93/47/1066809347.db2.gz CQJXLKQGWANXEX-JCMHNJIXSA-N 0 2 515.522 3.778 40 10 KHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2)cc1C ZINC000409375098 1066809841 /nfs/dbraw/zinc/80/98/41/1066809841.db2.gz FNRMLLLCVUPXOY-WSDLNYQXSA-N 0 2 513.506 3.716 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000409375473 1066807448 /nfs/dbraw/zinc/80/74/48/1066807448.db2.gz LIQCEAAZKOCDHV-UYRXBGFRSA-N 0 2 551.914 3.950 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409375490 1066283029 /nfs/dbraw/zinc/28/30/29/1066283029.db2.gz LNNIEQAXYVVPPX-BKUYFWCQSA-N 0 2 521.913 3.738 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409375532 1066807559 /nfs/dbraw/zinc/80/75/59/1066807559.db2.gz MFOLUSWQJDIHHJ-HYARGMPZSA-N 0 2 533.512 3.917 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(Cl)c3)C2=O)cc1 ZINC000409375837 1066808690 /nfs/dbraw/zinc/80/86/90/1066808690.db2.gz PUIGBYLQHZDOKI-UYRXBGFRSA-N 0 2 563.950 3.819 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1 ZINC000409375841 1066283147 /nfs/dbraw/zinc/28/31/47/1066283147.db2.gz PVMUXDALDVSRQF-HZHRSRAPSA-N 0 2 545.548 3.786 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000409375998 1066808728 /nfs/dbraw/zinc/80/87/28/1066808728.db2.gz RXKXESJIIYSWJA-WQRHYEAKSA-N 0 2 581.940 3.958 40 10 KHCBLN COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 ZINC000409376186 1066808190 /nfs/dbraw/zinc/80/81/90/1066808190.db2.gz VQGCVNGBSDLJJG-JAIQZWGSSA-N 0 2 580.937 3.949 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409376494 1066808260 /nfs/dbraw/zinc/80/82/60/1066808260.db2.gz YMIWGNNZCTXHIK-HAHDFKILSA-N 0 2 573.558 3.564 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409376633 1066808051 /nfs/dbraw/zinc/80/80/51/1066808051.db2.gz BYTXWHMQRXOCCW-BKUYFWCQSA-N 0 2 550.911 3.941 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000409376638 1066808227 /nfs/dbraw/zinc/80/82/27/1066808227.db2.gz CBHVRQZGFNKPTE-CPNJWEJPSA-N 0 2 519.485 3.527 40 10 KHCBLN O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1F ZINC000409376666 1066808144 /nfs/dbraw/zinc/80/81/44/1066808144.db2.gz CJPXAUWOUOLZSH-PDGQHHTCSA-N 0 2 554.328 3.978 40 10 KHCBLN COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409377105 1066807520 /nfs/dbraw/zinc/80/75/20/1066807520.db2.gz DNOVOMNBSGAHSK-ZDLGFXPLSA-N 0 2 580.937 3.949 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 ZINC000409377290 1066807606 /nfs/dbraw/zinc/80/76/06/1066807606.db2.gz HPCREFVACCITPS-UNOMPAQXSA-N 0 2 593.976 3.828 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409377739 1066813383 /nfs/dbraw/zinc/81/33/83/1066813383.db2.gz JMXRSIGQAZBBCF-PDGQHHTCSA-N 0 2 521.913 3.738 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409377824 1066813335 /nfs/dbraw/zinc/81/33/35/1066813335.db2.gz LDIRPOXAVDYUHC-ZHZULCJRSA-N 0 2 563.950 3.819 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409377826 1066813350 /nfs/dbraw/zinc/81/33/50/1066813350.db2.gz LDISHDNJERIKJJ-RCCKNPSSSA-N 0 2 545.548 3.786 40 10 KHCBLN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)cc1 ZINC000409378226 1066812760 /nfs/dbraw/zinc/81/27/60/1066812760.db2.gz NMFJHRVXYAKGRW-NTUHNPAUSA-N 0 2 604.207 3.995 40 10 KHCBLN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1F ZINC000409378307 1066284227 /nfs/dbraw/zinc/28/42/27/1066284227.db2.gz NPUHKMWGQFCODZ-PDGQHHTCSA-N 0 2 509.877 3.869 40 10 KHCBLN COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000409378494 1066812888 /nfs/dbraw/zinc/81/28/88/1066812888.db2.gz QEDLEYXXCHWEAZ-WQRHYEAKSA-N 0 2 551.939 3.747 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409379245 1066812296 /nfs/dbraw/zinc/81/22/96/1066812296.db2.gz WFKXSYRDGNMGMM-YVLHZVERSA-N 0 2 584.354 3.986 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1 ZINC000409379349 1066812219 /nfs/dbraw/zinc/81/22/19/1066812219.db2.gz WISPVRPZQFUOLV-RCCKNPSSSA-N 0 2 503.486 3.908 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409379567 1066820704 /nfs/dbraw/zinc/82/07/04/1066820704.db2.gz XVTQOMHXWUGQFU-XSFVSMFZSA-N 0 2 533.512 3.917 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br)N1CCOCC1 ZINC000409379633 1066820950 /nfs/dbraw/zinc/82/09/50/1066820950.db2.gz YWRZBDLFUGIWHR-GXDHUFHOSA-N 0 2 583.222 3.660 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409379911 1066820752 /nfs/dbraw/zinc/82/07/52/1066820752.db2.gz BVMRDTBGUXDUJL-MTJSOVHGSA-N 0 2 550.911 3.941 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 ZINC000409379925 1066820933 /nfs/dbraw/zinc/82/09/33/1066820933.db2.gz CGEMPQSVQBVEQQ-NDENLUEZSA-N 0 2 566.364 3.847 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409380134 1066820330 /nfs/dbraw/zinc/82/03/30/1066820330.db2.gz IUVYRHMUMLYCEP-UYRXBGFRSA-N 0 2 519.485 3.614 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409380269 1066820209 /nfs/dbraw/zinc/82/02/09/1066820209.db2.gz AUWMTWHBHHDQBL-ZHZULCJRSA-N 0 2 560.519 3.686 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1 ZINC000409380319 1066820235 /nfs/dbraw/zinc/82/02/35/1066820235.db2.gz CGTNQBDWUNXTPA-LFVJCYFKSA-N 0 2 515.522 3.778 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 ZINC000409380354 1066820287 /nfs/dbraw/zinc/82/02/87/1066820287.db2.gz LJDPVPQIYSEFAA-JAIQZWGSSA-N 0 2 550.911 3.941 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409380386 1066820354 /nfs/dbraw/zinc/82/03/54/1066820354.db2.gz MEBCBEKQZLOIFK-QNGOZBTKSA-N 0 2 573.558 3.564 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409380430 1066820107 /nfs/dbraw/zinc/82/01/07/1066820107.db2.gz MXQDGKRCDARNMB-ZHZULCJRSA-N 0 2 561.522 3.695 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409380432 1066820367 /nfs/dbraw/zinc/82/03/67/1066820367.db2.gz MYWUWBSQUSGZFQ-UNOMPAQXSA-N 0 2 550.911 3.941 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409380482 1066820149 /nfs/dbraw/zinc/82/01/49/1066820149.db2.gz FJNGVVRKIGHBHN-HKWRFOASSA-N 0 2 515.522 3.778 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000409380776 1066819785 /nfs/dbraw/zinc/81/97/85/1066819785.db2.gz IANRDTSAZQVOET-HMAPJEAMSA-N 0 2 563.950 3.819 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409380820 1066819797 /nfs/dbraw/zinc/81/97/97/1066819797.db2.gz AXSLUYBZVLOJAG-HMAPJEAMSA-N 0 2 560.519 3.686 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409380945 1066819770 /nfs/dbraw/zinc/81/97/70/1066819770.db2.gz CIOBTDBEJJDAIY-UYRXBGFRSA-N 0 2 566.364 3.847 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(Br)c3)C2=O)cc1 ZINC000409381057 1066819280 /nfs/dbraw/zinc/81/92/80/1066819280.db2.gz DHBPIHPGROQDBZ-UYRXBGFRSA-N 0 2 608.401 3.928 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000409381226 1066283703 /nfs/dbraw/zinc/28/37/03/1066283703.db2.gz SKSRIRSXXNSEAE-NDENLUEZSA-N 0 2 550.911 3.941 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409381322 1066819161 /nfs/dbraw/zinc/81/91/61/1066819161.db2.gz FJJJXGVSTFQJMN-UYRXBGFRSA-N 0 2 550.911 3.941 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409381329 1066819265 /nfs/dbraw/zinc/81/92/65/1066819265.db2.gz FZFDJLBIVYHKKA-XSFVSMFZSA-N 0 2 533.512 3.917 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409381392 1066819330 /nfs/dbraw/zinc/81/93/30/1066819330.db2.gz GOMCPVPWVHZGKT-XKZIYDEJSA-N 0 2 560.519 3.686 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409381773 1066283543 /nfs/dbraw/zinc/28/35/43/1066283543.db2.gz WDWZNZUBIDAKTP-UYRXBGFRSA-N 0 2 521.913 3.738 40 10 KHCBLN COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2OC)cc1 ZINC000409381930 1066818594 /nfs/dbraw/zinc/81/85/94/1066818594.db2.gz PDGKHCYKGUSQJD-JAIQZWGSSA-N 0 2 551.939 3.747 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 ZINC000409382002 1066818149 /nfs/dbraw/zinc/81/81/49/1066818149.db2.gz XCJHLTPDVWPXCP-NDENLUEZSA-N 0 2 521.913 3.738 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409382118 1066818050 /nfs/dbraw/zinc/81/80/50/1066818050.db2.gz YFIFKEKUFWRLNK-HZHRSRAPSA-N 0 2 545.548 3.786 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1 ZINC000409382404 1066818064 /nfs/dbraw/zinc/81/80/64/1066818064.db2.gz LSOFVDOKYPTGLM-RCCKNPSSSA-N 0 2 503.486 3.908 40 10 KHCBLN COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2OC)cc1 ZINC000409382408 1066817978 /nfs/dbraw/zinc/81/79/78/1066817978.db2.gz LUOFHCSSYQQGSK-JAIQZWGSSA-N 0 2 596.390 3.856 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000409382566 195515624 /nfs/dbraw/zinc/51/56/24/195515624.db2.gz OYRGOJUOOKFRTP-HMAPJEAMSA-N 0 2 608.401 3.928 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409382666 1066817223 /nfs/dbraw/zinc/81/72/23/1066817223.db2.gz NAKBICBQAKLHJT-UYRXBGFRSA-N 0 2 548.483 3.817 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)C2=O)cc1 ZINC000409382680 1066817524 /nfs/dbraw/zinc/81/75/24/1066817524.db2.gz NJZKYUBIJLEYHM-LFVJCYFKSA-N 0 2 515.522 3.778 40 10 KHCBLN COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)cc1 ZINC000409382804 1066817401 /nfs/dbraw/zinc/81/74/01/1066817401.db2.gz RCJLYWXTVARABC-JMIUGGIZSA-N 0 2 580.937 3.949 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1 ZINC000409382851 1066817345 /nfs/dbraw/zinc/81/73/45/1066817345.db2.gz SCIJAFAOGJHPTA-CJLVFECKSA-N 0 2 515.522 3.778 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409382957 1066817419 /nfs/dbraw/zinc/81/74/19/1066817419.db2.gz PMRYUACRRNYMNK-WQRHYEAKSA-N 0 2 550.911 3.941 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 ZINC000409383025 1066817286 /nfs/dbraw/zinc/81/72/86/1066817286.db2.gz SWVSLICDALYGCE-RCCKNPSSSA-N 0 2 545.548 3.786 40 10 KHCBLN COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409383317 1066817382 /nfs/dbraw/zinc/81/73/82/1066817382.db2.gz UGBXIXBQUJHWOP-WQRHYEAKSA-N 0 2 580.937 3.949 40 10 KHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409383672 1066816810 /nfs/dbraw/zinc/81/68/10/1066816810.db2.gz ZKPAOEMNXUFUJB-YVLHZVERSA-N 0 2 539.903 3.877 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br)N1CCOCC1 ZINC000409384084 1066813992 /nfs/dbraw/zinc/81/39/92/1066813992.db2.gz ACFJHAUASFCQJL-OQLLNIDSSA-N 0 2 583.222 3.660 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Br)c3)C2=O)cc1 ZINC000409384174 1066814012 /nfs/dbraw/zinc/81/40/12/1066814012.db2.gz AROSWSPTHCWTKS-BKUYFWCQSA-N 0 2 608.401 3.928 40 10 KHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000409384205 1066816905 /nfs/dbraw/zinc/81/69/05/1066816905.db2.gz AZSMCPXKDXBDEZ-CPNJWEJPSA-N 0 2 519.485 3.527 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409384220 1066284334 /nfs/dbraw/zinc/28/43/34/1066284334.db2.gz BGQILOGRPRGXHQ-RGEXLXHISA-N 0 2 503.486 3.908 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409384607 1066284203 /nfs/dbraw/zinc/28/42/03/1066284203.db2.gz DBVMQCRKMGLGIX-ZHZULCJRSA-N 0 2 608.401 3.928 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000409385829 1066815757 /nfs/dbraw/zinc/81/57/57/1066815757.db2.gz JTDOZVYZGCCOQS-PDGQHHTCSA-N 0 2 566.364 3.847 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409385885 1066815736 /nfs/dbraw/zinc/81/57/36/1066815736.db2.gz KTWVKBYNZNSLQE-MOSHPQCFSA-N 0 2 560.519 3.686 40 10 KHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409386475 1066815093 /nfs/dbraw/zinc/81/50/93/1066815093.db2.gz LUGSSUIPDBKOLP-PDGQHHTCSA-N 0 2 550.911 3.941 40 10 KHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409386521 1066815059 /nfs/dbraw/zinc/81/50/59/1066815059.db2.gz MABZPZLHXRMONN-LDADJPATSA-N 0 2 507.449 3.657 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2OC)cc1 ZINC000409386570 1066814546 /nfs/dbraw/zinc/81/45/46/1066814546.db2.gz MXRYBRNODTWWGR-FYJGNVAPSA-N 0 2 519.485 3.527 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409387237 1066814054 /nfs/dbraw/zinc/81/40/54/1066814054.db2.gz ORYDAHOJABSSLF-BOPFTXTBSA-N 0 2 509.877 3.869 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Cl)c3)C2=O)cc1 ZINC000409387256 1066813945 /nfs/dbraw/zinc/81/39/45/1066813945.db2.gz PBJRYVVSRBMLLZ-BKUYFWCQSA-N 0 2 563.950 3.819 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1 ZINC000409387299 1066813969 /nfs/dbraw/zinc/81/39/69/1066813969.db2.gz POCIAPOXRIQNNC-MTJSOVHGSA-N 0 2 638.427 3.937 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 ZINC000409387465 1066825079 /nfs/dbraw/zinc/82/50/79/1066825079.db2.gz QQYBFKOMJDGIKV-UNOMPAQXSA-N 0 2 638.427 3.937 40 10 KHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1 ZINC000409387761 1066824525 /nfs/dbraw/zinc/82/45/25/1066824525.db2.gz QJNOHQUIFDDRIR-MTJSOVHGSA-N 0 2 593.976 3.828 40 10 KHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000409388286 1066823948 /nfs/dbraw/zinc/82/39/48/1066823948.db2.gz VIDXOAFLNVOIFD-XQNSMLJCSA-N 0 2 515.522 3.778 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1F ZINC000409388287 1066824096 /nfs/dbraw/zinc/82/40/96/1066824096.db2.gz TXLNZWZTLVDYTF-CXUHLZMHSA-N 0 2 537.887 3.892 40 10 KHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)N1CCOCC1 ZINC000409388373 1066824639 /nfs/dbraw/zinc/82/46/39/1066824639.db2.gz UOEXTKQHKDSPRE-OQLLNIDSSA-N 0 2 583.222 3.660 40 10 KHCBLN COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409388837 1066823494 /nfs/dbraw/zinc/82/34/94/1066823494.db2.gz XPXUCSUTJWMKAF-BKUYFWCQSA-N 0 2 566.364 3.847 40 10 KHCBLN COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000409388901 1066285637 /nfs/dbraw/zinc/28/56/37/1066285637.db2.gz XVERUWCTPVPZKL-WQRHYEAKSA-N 0 2 596.390 3.856 40 10 KHCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1F ZINC000409388968 1066823553 /nfs/dbraw/zinc/82/35/53/1066823553.db2.gz YNQFJAYMAQYTLZ-BOPFTXTBSA-N 0 2 554.328 3.978 40 10 KHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OC(C)C ZINC000409389852 1066823121 /nfs/dbraw/zinc/82/31/21/1066823121.db2.gz CLZHMOLCWVQTKM-OQLLNIDSSA-N 0 2 521.311 3.539 40 10 KHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409390731 1066822501 /nfs/dbraw/zinc/82/25/01/1066822501.db2.gz GTBHZEXXJMBXOC-YBFXNURJSA-N 0 2 512.307 3.760 40 10 KHCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409393784 1066821224 /nfs/dbraw/zinc/82/12/24/1066821224.db2.gz SDCXGJABQYQTQV-UNOMPAQXSA-N 0 2 512.307 3.760 40 10 KHCBLN COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c3ccccc32)o1 ZINC000409393996 1066821317 /nfs/dbraw/zinc/82/13/17/1066821317.db2.gz UCIPHHGYMDTVMB-UDWIEESQSA-N 0 2 529.505 3.753 40 10 KHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(I)c1 ZINC000409398393 1066285800 /nfs/dbraw/zinc/28/58/00/1066285800.db2.gz AIFUDUPWIYANGS-YBEGLDIGSA-N 0 2 528.262 3.848 40 10 KHCBLN O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000409398427 1066285874 /nfs/dbraw/zinc/28/58/74/1066285874.db2.gz AUDIERNKCMQFQK-ZDLGFXPLSA-N 0 2 555.316 3.975 40 10 KHCBLN O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000409398469 1066285542 /nfs/dbraw/zinc/28/55/42/1066285542.db2.gz BBTPRRLHLWFGDJ-NVMNQCDNSA-N 0 2 555.316 3.975 40 10 KHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000409398499 1066829432 /nfs/dbraw/zinc/82/94/32/1066829432.db2.gz BKLLQYIJCNXWDD-NVNXTCNLSA-N 0 2 526.259 3.914 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccccc1F ZINC000409398736 1066285556 /nfs/dbraw/zinc/28/55/56/1066285556.db2.gz CINYMTDDJXKZPT-BOPFTXTBSA-N 0 2 510.865 3.866 40 10 KHCBLN CC(C)OC(=O)COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409398796 1066828955 /nfs/dbraw/zinc/82/89/55/1066828955.db2.gz CTDUEZNDZOJVEJ-NVNXTCNLSA-N 0 2 632.192 3.688 40 10 KHCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000409398816 1066829005 /nfs/dbraw/zinc/82/90/05/1066829005.db2.gz DAXLQTDLYFQDFE-NVMNQCDNSA-N 0 2 510.865 3.866 40 10 KHCBLN CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409398826 1066828966 /nfs/dbraw/zinc/82/89/66/1066828966.db2.gz DDSHMKGDANZNIZ-CDCQXCROSA-N 0 2 632.192 3.688 40 10 KHCBLN CCOC(=O)[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409398827 1066829019 /nfs/dbraw/zinc/82/90/19/1066829019.db2.gz DDSHMKGDANZNIZ-ZENNRRHLSA-N 0 2 632.192 3.688 40 10 KHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)=O ZINC000409398840 1066828996 /nfs/dbraw/zinc/82/89/96/1066828996.db2.gz DINMTCDSXNVGBK-JYRVWZFOSA-N 0 2 510.138 3.607 40 10 KHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)OC(C)C ZINC000409399034 1066828413 /nfs/dbraw/zinc/82/84/13/1066828413.db2.gz FKTLJUBJQLCBNK-DHDCSXOGSA-N 0 2 523.767 3.903 40 10 KHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409399194 1066286481 /nfs/dbraw/zinc/28/64/81/1066286481.db2.gz GIZCBUPZLNSCEM-ODLFYWEKSA-N 0 2 522.901 3.736 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000409399375 1066827796 /nfs/dbraw/zinc/82/77/96/1066827796.db2.gz HMIAVEJRUZARPF-GRSHGNNSSA-N 0 2 555.316 3.975 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)OC ZINC000409399381 1066827839 /nfs/dbraw/zinc/82/78/39/1066827839.db2.gz HQOKOBLAZJSWDL-DYTQJMLRSA-N 0 2 523.767 3.903 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)OC ZINC000409399382 1066827814 /nfs/dbraw/zinc/82/78/14/1066827814.db2.gz HQOKOBLAZJSWDL-GQVHDAKQSA-N 0 2 523.767 3.903 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000409399386 1066286360 /nfs/dbraw/zinc/28/63/60/1066286360.db2.gz HQVAEZAIPGIXLG-ODLFYWEKSA-N 0 2 510.865 3.866 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000409399395 1066286398 /nfs/dbraw/zinc/28/63/98/1066286398.db2.gz HWBNHNKYBDZOST-GRSHGNNSSA-N 0 2 510.865 3.866 40 10 KHCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000409399439 1066827784 /nfs/dbraw/zinc/82/77/84/1066827784.db2.gz IPUPYFRBSHSHDO-ZDLGFXPLSA-N 0 2 510.865 3.866 40 10 KHCBLN COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409399498 1066286582 /nfs/dbraw/zinc/28/65/82/1066286582.db2.gz JFGHCLIFTVADOH-KSSSLANASA-N 0 2 524.165 3.613 40 10 KHCBLN COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409399500 1066827862 /nfs/dbraw/zinc/82/78/62/1066827862.db2.gz JFGHCLIFTVADOH-ZEVOCZHWSA-N 0 2 524.165 3.613 40 10 KHCBLN CCOC(=O)COc1c(Br)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409399517 1066827805 /nfs/dbraw/zinc/82/78/05/1066827805.db2.gz JGKKZNMXFAVKNF-ZROIWOOFSA-N 0 2 554.191 3.624 40 10 KHCBLN CCOC(=O)[C@@H](C)Oc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409399821 1066286606 /nfs/dbraw/zinc/28/66/06/1066286606.db2.gz NBZKZWKILAUQPU-DYTQJMLRSA-N 0 2 523.767 3.903 40 10 KHCBLN CCOC(=O)[C@H](C)Oc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409399822 1066826774 /nfs/dbraw/zinc/82/67/74/1066826774.db2.gz NBZKZWKILAUQPU-GQVHDAKQSA-N 0 2 523.767 3.903 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000409399827 1066826643 /nfs/dbraw/zinc/82/66/43/1066826643.db2.gz NEFIMVIKGHVMIY-ODLFYWEKSA-N 0 2 555.316 3.975 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409399831 1066826786 /nfs/dbraw/zinc/82/67/86/1066826786.db2.gz NKIPRLMVMADQQJ-NDENLUEZSA-N 0 2 504.455 3.942 40 10 KHCBLN O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000409400079 1066826211 /nfs/dbraw/zinc/82/62/11/1066826211.db2.gz OLYQCJLLIIWCOM-WQRHYEAKSA-N 0 2 537.326 3.836 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccccc1F ZINC000409400108 1066825579 /nfs/dbraw/zinc/82/55/79/1066825579.db2.gz OVWGSUYQCBSYAA-BOPFTXTBSA-N 0 2 555.316 3.975 40 10 KHCBLN COC(=O)[C@H](C)Oc1c(Br)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409400210 1066826179 /nfs/dbraw/zinc/82/61/79/1066826179.db2.gz QNNIGGYDRDFPOO-HOXUKUGESA-N 0 2 554.191 3.622 40 10 KHCBLN COC(=O)[C@@H](C)Oc1c(Br)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409400211 1066826052 /nfs/dbraw/zinc/82/60/52/1066826052.db2.gz QNNIGGYDRDFPOO-RLIURORJSA-N 0 2 554.191 3.622 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)OC ZINC000409400221 1066826254 /nfs/dbraw/zinc/82/62/54/1066826254.db2.gz QPXFWAMDXKUAOS-ZROIWOOFSA-N 0 2 509.740 3.514 40 10 KHCBLN CCOC(=O)COc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409400458 1066286997 /nfs/dbraw/zinc/28/69/97/1066286997.db2.gz RDSOGDXIBORSMM-ZROIWOOFSA-N 0 2 509.740 3.514 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)=O ZINC000409400552 1066825020 /nfs/dbraw/zinc/82/50/20/1066825020.db2.gz TVTNWDCUMGXMGG-ZROIWOOFSA-N 0 2 524.165 3.997 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)OC ZINC000409400909 1066833541 /nfs/dbraw/zinc/83/35/41/1066833541.db2.gz VAUQURCWXWPWKF-ZROIWOOFSA-N 0 2 554.191 3.624 40 10 KHCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1F ZINC000409400919 1066833501 /nfs/dbraw/zinc/83/35/01/1066833501.db2.gz VJHPASHBXYETDO-YBEGLDIGSA-N 0 2 510.865 3.866 40 10 KHCBLN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409400920 1066833420 /nfs/dbraw/zinc/83/34/20/1066833420.db2.gz VKLHFSJBOXUWNV-ZSOIEALJSA-N 0 2 524.165 3.615 40 10 KHCBLN COC(=O)[C@H](C)Oc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409400958 1066287251 /nfs/dbraw/zinc/28/72/51/1066287251.db2.gz WNABBAPTRWSEFA-HOXUKUGESA-N 0 2 509.740 3.513 40 10 KHCBLN COC(=O)[C@@H](C)Oc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409400959 1066833450 /nfs/dbraw/zinc/83/34/50/1066833450.db2.gz WNABBAPTRWSEFA-RLIURORJSA-N 0 2 509.740 3.513 40 10 KHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000409401371 1066829946 /nfs/dbraw/zinc/82/99/46/1066829946.db2.gz XKGROSPKLWVXNU-NDENLUEZSA-N 0 2 504.455 3.942 40 10 KHCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000409401379 1066829738 /nfs/dbraw/zinc/82/97/38/1066829738.db2.gz XNCJHHBVWVLUPO-UNOMPAQXSA-N 0 2 537.326 3.836 40 10 KHCBLN CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409401381 1066287105 /nfs/dbraw/zinc/28/71/05/1066287105.db2.gz XOETXWBVQSCILN-JYRVWZFOSA-N 0 2 560.129 3.756 40 10 KHCBLN CCOC(=O)COc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409401384 1066829808 /nfs/dbraw/zinc/82/98/08/1066829808.db2.gz XUJOOIMFYWPHTN-GDNBJRDFSA-N 0 2 523.767 3.905 40 10 KHCBLN O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1F ZINC000409401421 1066287075 /nfs/dbraw/zinc/28/70/75/1066287075.db2.gz YJVPCLZUIMRBNV-YBEGLDIGSA-N 0 2 555.316 3.975 40 10 KHCBLN COc1cc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000409406127 1066830596 /nfs/dbraw/zinc/83/05/96/1066830596.db2.gz AKSDAVFVOXAQPG-MOSHPQCFSA-N 0 2 506.898 3.955 40 10 KHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409406497 1066288409 /nfs/dbraw/zinc/28/84/09/1066288409.db2.gz KEVZPBTWSZRLGQ-SXGWCWSVSA-N 0 2 558.288 3.857 40 10 KHCBLN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000409406812 1066830271 /nfs/dbraw/zinc/83/02/71/1066830271.db2.gz CVIXFMYRJXWIOG-RPAITNTNSA-N 0 2 500.423 3.583 40 10 KHCBLN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000409407447 1066288451 /nfs/dbraw/zinc/28/84/51/1066288451.db2.gz FYYPOUCZCOQUTO-WMHIFLFESA-N 0 2 500.423 3.583 40 10 KHCBLN O=C(Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000409408804 1066837217 /nfs/dbraw/zinc/83/72/17/1066837217.db2.gz LQSLHKKCZGOBFY-WOJGMQOQSA-N 0 2 507.296 3.858 40 10 KHCBLN Cc1c(O)c2c(c(O)c1[C@@H]1C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@H]1C)=CC(=O)C(=O)C=2Cc1ccccc1 ZINC001560403750 1066878413 /nfs/dbraw/zinc/87/84/13/1066878413.db2.gz OTPQYBGJCDPNKT-CBZJRKILSA-N 0 2 588.612 3.533 40 10 KHCBLN Cc1c(O)c2c(c(O)c1[C@H]1C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@@H]1C)=CC(=O)C(=O)C=2Cc1ccccc1 ZINC001560403751 1066878330 /nfs/dbraw/zinc/87/83/30/1066878330.db2.gz OTPQYBGJCDPNKT-CRYYWNKWSA-N 0 2 588.612 3.533 40 10 KHCBLN Cc1c(O)c2c(c(O)c1[C@H]1C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@H]1C)=CC(=O)C(=O)C=2Cc1ccccc1 ZINC001560403752 1066878295 /nfs/dbraw/zinc/87/82/95/1066878295.db2.gz OTPQYBGJCDPNKT-SOKVYYICSA-N 0 2 588.612 3.533 40 10 KHCBLN Cc1c(O)c2c(c(O)c1[C@@H]1C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@@H]1C)=CC(=O)C(=O)C=2Cc1ccccc1 ZINC001560403753 1066878377 /nfs/dbraw/zinc/87/83/77/1066878377.db2.gz OTPQYBGJCDPNKT-XGCWNURASA-N 0 2 588.612 3.533 40 10 KHCBLN