smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NC(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)c1 ZINC000000691820 551527337 /nfs/dbraw/zinc/52/73/37/551527337.db2.gz PJQLCSZWGWXDSO-LFVJCYFKSA-N 0 0 516.623 4.885 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C ZINC000000797210 551542936 /nfs/dbraw/zinc/54/29/36/551542936.db2.gz BOVQGPWUTPNZPJ-VJBWXMMDSA-N 0 0 530.374 4.761 40 10 KJCBRN COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000000867283 551553379 /nfs/dbraw/zinc/55/33/79/551553379.db2.gz KPCHRNUDLYNHTL-FDFHNCONSA-N 0 0 522.340 4.697 40 10 KJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000000887358 551559516 /nfs/dbraw/zinc/55/95/16/551559516.db2.gz MXQVRDCEMJVLOS-LJAQVGFWSA-N 0 0 573.648 4.513 40 10 KJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000000887359 551559528 /nfs/dbraw/zinc/55/95/28/551559528.db2.gz MXQVRDCEMJVLOS-GDLZYMKVSA-N 0 0 573.648 4.513 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C ZINC000000887375 551559879 /nfs/dbraw/zinc/55/98/79/551559879.db2.gz NPOYZARQFUXKOK-NDEPHWFRSA-N 0 0 557.724 4.918 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C ZINC000000887377 551559861 /nfs/dbraw/zinc/55/98/61/551559861.db2.gz NPOYZARQFUXKOK-MUUNZHRXSA-N 0 0 557.724 4.918 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)c3ccc(N(C)C)cc3)n2)o1 ZINC000000887480 551559857 /nfs/dbraw/zinc/55/98/57/551559857.db2.gz DUAURZAWSBXZJO-MHZLTWQESA-N 0 0 561.712 4.588 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)c3ccc(N(C)C)cc3)n2)o1 ZINC000000887483 551559902 /nfs/dbraw/zinc/55/99/02/551559902.db2.gz DUAURZAWSBXZJO-HHHXNRCGSA-N 0 0 561.712 4.588 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000000887603 551560041 /nfs/dbraw/zinc/56/00/41/551560041.db2.gz NBCGUWNERTVCTM-LJAQVGFWSA-N 0 0 565.703 4.867 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000000887605 551560127 /nfs/dbraw/zinc/56/01/27/551560127.db2.gz NBCGUWNERTVCTM-GDLZYMKVSA-N 0 0 565.703 4.867 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902626 551565977 /nfs/dbraw/zinc/56/59/77/551565977.db2.gz NMRPNQDBCYQIOT-PMERELPUSA-N 0 0 550.619 4.614 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902632 551565943 /nfs/dbraw/zinc/56/59/43/551565943.db2.gz NMRPNQDBCYQIOT-SSEXGKCCSA-N 0 0 550.619 4.614 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902643 551565963 /nfs/dbraw/zinc/56/59/63/551565963.db2.gz IHLLSFCNIQRJGH-MHZLTWQESA-N 0 0 534.016 4.719 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902646 551565937 /nfs/dbraw/zinc/56/59/37/551565937.db2.gz IHLLSFCNIQRJGH-HHHXNRCGSA-N 0 0 534.016 4.719 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905906 551567331 /nfs/dbraw/zinc/56/73/31/551567331.db2.gz AGBHCHDDZWYTJE-YTTGMZPUSA-N 0 0 584.696 4.626 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905907 551567373 /nfs/dbraw/zinc/56/73/73/551567373.db2.gz AGBHCHDDZWYTJE-JGCGQSQUSA-N 0 0 584.696 4.626 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905917 551567340 /nfs/dbraw/zinc/56/73/40/551567340.db2.gz UIVPNOKQZYTSME-PMERELPUSA-N 0 0 572.735 4.548 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905918 551567386 /nfs/dbraw/zinc/56/73/86/551567386.db2.gz UIVPNOKQZYTSME-SSEXGKCCSA-N 0 0 572.735 4.548 40 10 KJCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000000906013 551567685 /nfs/dbraw/zinc/56/76/85/551567685.db2.gz LBDDIDRMPMVMFN-HKBQPEDESA-N 0 0 554.695 4.725 40 10 KJCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000000906014 551567640 /nfs/dbraw/zinc/56/76/40/551567640.db2.gz LBDDIDRMPMVMFN-WJOKGBTCSA-N 0 0 554.695 4.725 40 10 KJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000906017 551567905 /nfs/dbraw/zinc/56/79/05/551567905.db2.gz WBDIUEUJWJEYNB-NDEPHWFRSA-N 0 0 530.698 4.778 40 10 KJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000906018 551567912 /nfs/dbraw/zinc/56/79/12/551567912.db2.gz WBDIUEUJWJEYNB-MUUNZHRXSA-N 0 0 530.698 4.778 40 10 KJCBRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000000906364 551569424 /nfs/dbraw/zinc/56/94/24/551569424.db2.gz BDBPLBIBDKHHEL-XIFFEERXSA-N 0 0 574.685 4.667 40 10 KJCBRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Cl)cc4)[C@@H]3c3cc(Br)ccc3O)C2=O)cc1 ZINC000000950885 551589255 /nfs/dbraw/zinc/58/92/55/551589255.db2.gz ISCGDTXDYPVVLB-VSKRKVRLSA-N 0 0 529.774 4.868 40 10 KJCBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000001092947 551607294 /nfs/dbraw/zinc/60/72/94/551607294.db2.gz PQUCHGUJQDISOQ-VJBWXMMDSA-N 0 0 546.373 4.543 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000001192072 551622137 /nfs/dbraw/zinc/62/21/37/551622137.db2.gz SNRIIZHGTUHORD-QHAWAJNXSA-N 0 0 536.765 4.798 40 10 KJCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1C ZINC000001228812 551629179 /nfs/dbraw/zinc/62/91/79/551629179.db2.gz BOVQGPWUTPNZPJ-XPWALMASSA-N 0 0 530.374 4.761 40 10 KJCBRN Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@H]3CCCC[C@H]32)cc1 ZINC000001239018 551630273 /nfs/dbraw/zinc/63/02/73/551630273.db2.gz XZZVBGISYSYAEL-FFHZKXIASA-N 0 0 512.697 4.886 40 10 KJCBRN CCc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000001240694 551630607 /nfs/dbraw/zinc/63/06/07/551630607.db2.gz IDGKTPAFWVYTSK-VJBWXMMDSA-N 0 0 530.374 4.707 40 10 KJCBRN COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)c3ccc(C)cc3)CCCC4)CC2)cc1 ZINC000001362112 551648333 /nfs/dbraw/zinc/64/83/33/551648333.db2.gz YYJLDWVTSPPTQD-UHFFFAOYSA-N 0 0 503.668 4.936 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000001410433 551664432 /nfs/dbraw/zinc/66/44/32/551664432.db2.gz JZFPVOKPFAXOLB-UCQKPKSFSA-N 0 0 507.637 4.977 40 10 KJCBRN COc1ccc([C@@H]2NC(=S)N[C@]34Oc5c(O)c(O)ccc5[C@@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 ZINC000001440885 551672989 /nfs/dbraw/zinc/67/29/89/551672989.db2.gz ISPSPYAXVKKUQA-KDRWPHSASA-N 0 0 518.635 4.971 40 10 KJCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000001635968 551687096 /nfs/dbraw/zinc/68/70/96/551687096.db2.gz ODIBIVIJJVLMIU-NCELDCMTSA-N 0 0 513.513 4.938 40 10 KJCBRN N=C1/C(=C/c2cc(Cl)ccc2OCCOCCOc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000001771038 551696333 /nfs/dbraw/zinc/69/63/33/551696333.db2.gz GYUPXYFMWMFIOL-POVQDFBCSA-N 0 0 538.935 4.996 40 10 KJCBRN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002099545 551762052 /nfs/dbraw/zinc/76/20/52/551762052.db2.gz BKQGQENHENEIKQ-ZWKOTPCHSA-N 0 0 511.603 4.865 40 10 KJCBRN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000002274054 552086084 /nfs/dbraw/zinc/08/60/84/552086084.db2.gz ZRPGTTSPJMYSLQ-XPWALMASSA-N 0 0 530.374 4.707 40 10 KJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000002301775 551808059 /nfs/dbraw/zinc/80/80/59/551808059.db2.gz TULRCDVGZHSLHM-SFQUDFHCSA-N 0 0 508.406 4.830 40 10 KJCBRN CC(=O)N1C(=O)C(=C2SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2cc(Br)ccc21 ZINC000002700821 552159803 /nfs/dbraw/zinc/15/98/03/552159803.db2.gz UTTYCFRUUYFBIM-NXVVXOECSA-N 0 0 510.291 4.814 40 10 KJCBRN CCN1C(=O)/C(=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S ZINC000002958006 552232998 /nfs/dbraw/zinc/23/29/98/552232998.db2.gz NOSUYEMLPFTOCY-BOPFTXTBSA-N 0 0 575.471 4.597 40 10 KJCBRN CCN1C(=O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S ZINC000002958753 552232967 /nfs/dbraw/zinc/23/29/67/552232967.db2.gz CQSDXKNEWMHQIP-BOPFTXTBSA-N 0 0 528.471 4.755 40 10 KJCBRN COc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC ZINC000002959388 552233128 /nfs/dbraw/zinc/23/31/28/552233128.db2.gz UKDLROUUVOLYHJ-PDGQHHTCSA-N 0 0 557.431 4.597 40 10 KJCBRN O=C1C(=Cc2cc3c(cc2Br)OCO3)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000003032446 552268074 /nfs/dbraw/zinc/26/80/74/552268074.db2.gz QUFZIVZGBBXTEC-UHFFFAOYSA-N 0 0 507.365 4.926 40 10 KJCBRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1 ZINC000003076600 552285306 /nfs/dbraw/zinc/28/53/06/552285306.db2.gz BAPBCXSDEZVPTP-UHFFFAOYSA-N 0 0 546.262 4.813 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000003668471 552409972 /nfs/dbraw/zinc/40/99/72/552409972.db2.gz KSMCZECVOPYTBV-OINPTKSXSA-N 0 0 585.726 4.815 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000003668473 552409969 /nfs/dbraw/zinc/40/99/69/552409969.db2.gz KSMCZECVOPYTBV-FWESEHMYSA-N 0 0 585.726 4.815 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000004119458 552439166 /nfs/dbraw/zinc/43/91/66/552439166.db2.gz RYUYFHOCUDDHFI-NJYVYQBISA-N 0 0 554.755 4.937 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000004119491 552439218 /nfs/dbraw/zinc/43/92/18/552439218.db2.gz QLYVJQOGLHGYQB-HKBOAZHASA-N 0 0 536.765 4.798 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)c(C)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000004119501 552439248 /nfs/dbraw/zinc/43/92/48/552439248.db2.gz QDMWPZFGSSJWSC-TZRRMPRUSA-N 0 0 543.959 4.520 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000004131682 552442168 /nfs/dbraw/zinc/44/21/68/552442168.db2.gz SBJMOADHEGSXKL-XPWALMASSA-N 0 0 564.377 4.865 40 10 KJCBRN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000004211182 552449324 /nfs/dbraw/zinc/44/93/24/552449324.db2.gz KICAGFVEUTVOFG-FSSWDIPSSA-N 0 0 566.791 4.806 40 10 KJCBRN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000004211186 552449320 /nfs/dbraw/zinc/44/93/20/552449320.db2.gz KICAGFVEUTVOFG-BHIFYINESA-N 0 0 566.791 4.806 40 10 KJCBRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000004214295 552449760 /nfs/dbraw/zinc/44/97/60/552449760.db2.gz HUADITLKOCMHSB-DFMJLFEVSA-N 0 0 672.737 4.549 40 10 in-man KJCBRN Cc1ccc2c(c1NCC(=O)CNc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000004235271 552451227 /nfs/dbraw/zinc/45/12/27/552451227.db2.gz JWZXHFWZUOAAGN-UHFFFAOYSA-N 0 0 528.564 4.947 40 10 KJCBRN Cc1ccc2c(c1NC(=O)CC(=O)Nc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000004265773 552454667 /nfs/dbraw/zinc/45/46/67/552454667.db2.gz MMJMLRXZJFGGMT-UHFFFAOYSA-N 0 0 542.547 4.822 40 10 KJCBRN Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@H]3CCCC[C@@H]32)cc1 ZINC000004291165 552456695 /nfs/dbraw/zinc/45/66/95/552456695.db2.gz XZZVBGISYSYAEL-VTYIWZSASA-N 0 0 512.697 4.886 40 10 KJCBRN Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@@H]3CCCC[C@H]32)cc1 ZINC000004291166 552456662 /nfs/dbraw/zinc/45/66/62/552456662.db2.gz XZZVBGISYSYAEL-UBVSJIKJSA-N 0 0 512.697 4.886 40 10 KJCBRN Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000004291167 552456657 /nfs/dbraw/zinc/45/66/57/552456657.db2.gz XZZVBGISYSYAEL-OMMKALBJSA-N 0 0 512.697 4.886 40 10 KJCBRN Cc1c(CO)cc(Nc2ccc(Nc3cc(CO)c(C)c(CO)c3)c3c2C(=O)c2ccccc2C3=O)cc1CO ZINC000004824969 552488076 /nfs/dbraw/zinc/48/80/76/552488076.db2.gz UPDCTMNCKSYZOU-UHFFFAOYSA-N 0 0 538.600 4.535 40 10 KJCBRN Nc1ccc(C(=O)NC(=CC=Cc2ccco2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000005545780 552504908 /nfs/dbraw/zinc/50/49/08/552504908.db2.gz NXYPOZHHRVRHCP-SRZODOGPSA-N 0 0 500.514 4.998 40 10 KJCBRN O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005851504 552511167 /nfs/dbraw/zinc/51/11/67/552511167.db2.gz ODIBIVIJJVLMIU-PLRJNAJWSA-N 0 0 513.513 4.938 40 10 KJCBRN CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005947584 552515588 /nfs/dbraw/zinc/51/55/88/552515588.db2.gz SAUWKANNKHSXQN-NEKDWFFYSA-N 0 0 541.739 4.932 40 10 KJCBRN CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@H](C)N2S(=O)(=O)c2ccccc2)cc1 ZINC000005947586 552515577 /nfs/dbraw/zinc/51/55/77/552515577.db2.gz CMHSMKDYYXWQOE-WXVAWEFUSA-N 0 0 527.712 4.624 40 10 KJCBRN CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005947604 552515586 /nfs/dbraw/zinc/51/55/86/552515586.db2.gz SAUWKANNKHSXQN-FIPFOOKPSA-N 0 0 541.739 4.932 40 10 KJCBRN CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@H](C)N2S(=O)(=O)c2ccccc2)cc1 ZINC000005947606 552515800 /nfs/dbraw/zinc/51/58/00/552515800.db2.gz CMHSMKDYYXWQOE-CUNXSJBXSA-N 0 0 527.712 4.624 40 10 KJCBRN CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006074089 552521886 /nfs/dbraw/zinc/52/18/86/552521886.db2.gz MYZZLXIOPSQBBW-UMSFTDKQSA-N 0 0 602.695 4.561 40 10 KJCBRN CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006074106 552522222 /nfs/dbraw/zinc/52/22/22/552522222.db2.gz MYZZLXIOPSQBBW-UUWRZZSWSA-N 0 0 602.695 4.561 40 10 KJCBRN CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1 ZINC000006074550 552523648 /nfs/dbraw/zinc/52/36/48/552523648.db2.gz SMSHHWGMENLJQX-GDLZYMKVSA-N 0 0 535.652 4.735 40 10 KJCBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 ZINC000006074557 552523659 /nfs/dbraw/zinc/52/36/59/552523659.db2.gz MAGCJSSBDUDMKQ-GDLZYMKVSA-N 0 0 575.113 4.606 40 10 KJCBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 ZINC000006074560 552523931 /nfs/dbraw/zinc/52/39/31/552523931.db2.gz JEJGRQWLCYCPPO-WJOKGBTCSA-N 0 0 577.689 4.505 40 10 KJCBRN CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1 ZINC000006074957 552525968 /nfs/dbraw/zinc/52/59/68/552525968.db2.gz SMSHHWGMENLJQX-LJAQVGFWSA-N 0 0 535.652 4.735 40 10 KJCBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 ZINC000006074965 552526035 /nfs/dbraw/zinc/52/60/35/552526035.db2.gz MAGCJSSBDUDMKQ-LJAQVGFWSA-N 0 0 575.113 4.606 40 10 KJCBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 ZINC000006074968 552526001 /nfs/dbraw/zinc/52/60/01/552526001.db2.gz JEJGRQWLCYCPPO-HKBQPEDESA-N 0 0 577.689 4.505 40 10 KJCBRN CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006076901 552527673 /nfs/dbraw/zinc/52/76/73/552527673.db2.gz DDQCFUXHMIGNKO-RUZDIDTESA-N 0 0 550.729 4.564 40 10 KJCBRN CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006076941 552527950 /nfs/dbraw/zinc/52/79/50/552527950.db2.gz DDQCFUXHMIGNKO-VWLOTQADSA-N 0 0 550.729 4.564 40 10 KJCBRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006077026 552528262 /nfs/dbraw/zinc/52/82/62/552528262.db2.gz ARLIKDBEXIDGQE-SANMLTNESA-N 0 0 562.740 4.851 40 10 KJCBRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006077037 552528274 /nfs/dbraw/zinc/52/82/74/552528274.db2.gz ARLIKDBEXIDGQE-AREMUKBSSA-N 0 0 562.740 4.851 40 10 KJCBRN CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006088638 552530458 /nfs/dbraw/zinc/53/04/58/552530458.db2.gz FPVMDQXXLRSWLE-HSZRJFAPSA-N 0 0 585.487 4.831 40 10 KJCBRN CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006088640 552530398 /nfs/dbraw/zinc/53/03/98/552530398.db2.gz FPVMDQXXLRSWLE-QHCPKHFHSA-N 0 0 585.487 4.831 40 10 KJCBRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006089826 552532888 /nfs/dbraw/zinc/53/28/88/552532888.db2.gz HHKGFOZXCVJIKT-UMSFTDKQSA-N 0 0 604.711 4.758 40 10 KJCBRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006089840 552532813 /nfs/dbraw/zinc/53/28/13/552532813.db2.gz HHKGFOZXCVJIKT-UUWRZZSWSA-N 0 0 604.711 4.758 40 10 KJCBRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134753 552538234 /nfs/dbraw/zinc/53/82/34/552538234.db2.gz ZSWPBPTUYLWOEN-PMERELPUSA-N 0 0 554.695 4.520 40 10 KJCBRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134779 552538576 /nfs/dbraw/zinc/53/85/76/552538576.db2.gz ZSWPBPTUYLWOEN-SSEXGKCCSA-N 0 0 554.695 4.520 40 10 KJCBRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000006135839 552539846 /nfs/dbraw/zinc/53/98/46/552539846.db2.gz PXVCGJOQBRJKSS-XIFFEERXSA-N 0 0 598.748 4.776 40 10 KJCBRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000006135930 552540290 /nfs/dbraw/zinc/54/02/90/552540290.db2.gz PXVCGJOQBRJKSS-MGBGTMOVSA-N 0 0 598.748 4.776 40 10 KJCBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C1=O)CCCC2 ZINC000006144420 552546387 /nfs/dbraw/zinc/54/63/87/552546387.db2.gz SCUKSXPNAKBVMB-GVAUOCQISA-N 0 0 531.634 4.531 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Cl)cc4)[C@@H]3c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000006144458 552546694 /nfs/dbraw/zinc/54/66/94/552546694.db2.gz SWBOOCXVDUTPMY-SDHSZQHLSA-N 0 0 519.985 4.634 40 10 KJCBRN CC(C)OC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)SC1=S ZINC000006190568 552563498 /nfs/dbraw/zinc/56/34/98/552563498.db2.gz HFNPJEFBAWDMPQ-FMQUCBEESA-N 0 0 574.812 4.943 40 10 KJCBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)c3ccco3)C(C)(C)C2=S)S1 ZINC000006190971 552564323 /nfs/dbraw/zinc/56/43/23/552564323.db2.gz VXKXDUBFMXMKQX-UHFFFAOYSA-N 0 0 531.633 4.803 40 10 KJCBRN CCOC(=O)CN(C(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000006194854 552566545 /nfs/dbraw/zinc/56/65/45/552566545.db2.gz GNAZNTXLCLXJKY-UHFFFAOYSA-N 0 0 538.557 4.927 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006226483 552570894 /nfs/dbraw/zinc/57/08/94/552570894.db2.gz DPEOKBJRCVKDIP-UQDCTOEPSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006226496 552570887 /nfs/dbraw/zinc/57/08/87/552570887.db2.gz DPEOKBJRCVKDIP-LCQSEVKBSA-N 0 0 592.117 4.876 40 10 KJCBRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006245119 552573675 /nfs/dbraw/zinc/57/36/75/552573675.db2.gz BDBPLBIBDKHHEL-MGBGTMOVSA-N 0 0 574.685 4.667 40 10 KJCBRN COc1ccc([C@@H]2NC(=S)N[C@@]34Oc5c(O)c(O)ccc5[C@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 ZINC000006304127 552580727 /nfs/dbraw/zinc/58/07/27/552580727.db2.gz ISPSPYAXVKKUQA-XNIAFWOFSA-N 0 0 518.635 4.971 40 10 KJCBRN O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 ZINC000006352986 552581829 /nfs/dbraw/zinc/58/18/29/552581829.db2.gz LTOKZGQVCWEIST-ZHZULCJRSA-N 0 0 512.590 4.764 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006354001 552581783 /nfs/dbraw/zinc/58/17/83/552581783.db2.gz KBYZZFQIHNNXKZ-JBDHCHCMSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000006354010 552581776 /nfs/dbraw/zinc/58/17/76/552581776.db2.gz KBYZZFQIHNNXKZ-PIXWUVMMSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006354163 552581950 /nfs/dbraw/zinc/58/19/50/552581950.db2.gz QULDTHRQFLYSQV-OCEWKHMESA-N 0 0 548.064 4.778 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006354166 552581939 /nfs/dbraw/zinc/58/19/39/552581939.db2.gz QULDTHRQFLYSQV-MKWGYRPRSA-N 0 0 548.064 4.778 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446220 552588629 /nfs/dbraw/zinc/58/86/29/552588629.db2.gz JWZHYBNHIXTBHO-PGUFJCEWSA-N 0 0 611.706 4.907 40 10 KJCBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446254 552588869 /nfs/dbraw/zinc/58/88/69/552588869.db2.gz JWZHYBNHIXTBHO-DHUJRADRSA-N 0 0 611.706 4.907 40 10 KJCBRN CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]32)cc1 ZINC000006599931 552601915 /nfs/dbraw/zinc/60/19/15/552601915.db2.gz CMQSKNSNHUSXBC-FUPPJEDESA-N 0 0 564.377 4.865 40 10 KJCBRN CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 ZINC000006599937 552601870 /nfs/dbraw/zinc/60/18/70/552601870.db2.gz CMQSKNSNHUSXBC-GIWBLDEGSA-N 0 0 564.377 4.865 40 10 KJCBRN COc1c(I)cc(/C=C2\C=C(c3ccccc3)OC2=O)cc1I ZINC000006905757 552977696 /nfs/dbraw/zinc/97/76/96/552977696.db2.gz RLQXLFCDLSCQIZ-NTUHNPAUSA-N 0 0 530.099 4.886 40 10 KJCBRN Nc1ccc(C(=O)NC(=CC=Cc2ccco2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000008652853 553107707 /nfs/dbraw/zinc/10/77/07/553107707.db2.gz NXYPOZHHRVRHCP-LJOWFHFUSA-N 0 0 500.514 4.998 40 10 KJCBRN Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000008678245 553111754 /nfs/dbraw/zinc/11/17/54/553111754.db2.gz MVFGHMKKDQXDPT-NDEPHWFRSA-N 0 0 501.627 4.867 40 10 KJCBRN Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000008678249 553111732 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CLSZQUYBDQUQIE-WJDWOHSUSA-N 0 0 506.074 4.609 40 10 KJCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NN1CCCc2ccccc21 ZINC000008819289 553154016 /nfs/dbraw/zinc/15/40/16/553154016.db2.gz PTDZHZNGBGOFJC-RGEXLXHISA-N 0 0 502.459 4.524 40 10 KJCBRN CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000008819390 553154057 /nfs/dbraw/zinc/15/40/57/553154057.db2.gz JTCROQVPUDXURB-STZFKDTASA-N 0 0 514.625 4.501 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000008819464 553154239 /nfs/dbraw/zinc/15/42/39/553154239.db2.gz OBXZJBGRGBIBCD-QNGOZBTKSA-N 0 0 514.625 4.501 40 10 KJCBRN CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)s1 ZINC000008819486 553154219 /nfs/dbraw/zinc/15/42/19/553154219.db2.gz MLGSAOSYOFHMQA-LGMDPLHJSA-N 0 0 506.675 4.518 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000008819488 553154205 /nfs/dbraw/zinc/15/42/05/553154205.db2.gz RDFWTTLQZRAWGW-UUYOSTAYSA-N 0 0 500.686 4.770 40 10 KJCBRN 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COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000010113158 553328958 /nfs/dbraw/zinc/32/89/58/553328958.db2.gz LTIPQFVATPWNIG-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Cl)cc2)cc1 ZINC000010113159 553328948 /nfs/dbraw/zinc/32/89/48/553328948.db2.gz HMVUEHIPNXPVJF-UHFFFAOYSA-N 0 0 528.074 4.851 40 10 KJCBRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010113163 553328933 /nfs/dbraw/zinc/32/89/33/553328933.db2.gz RRJBQOWTZYTMQU-QFIPXVFZSA-N 0 0 507.656 4.940 40 10 KJCBRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010113164 553328944 /nfs/dbraw/zinc/32/89/44/553328944.db2.gz RRJBQOWTZYTMQU-JOCHJYFZSA-N 0 0 507.656 4.940 40 10 KJCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000010113181 553328949 /nfs/dbraw/zinc/32/89/49/553328949.db2.gz KAANCBXZNKSQLS-UHFFFAOYSA-N 0 0 504.867 4.720 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cc1 ZINC000010113192 553328955 /nfs/dbraw/zinc/32/89/55/553328955.db2.gz WXCYJOUHJYALAQ-UHFFFAOYSA-N 0 0 525.646 4.726 40 10 KJCBRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113220 553328972 /nfs/dbraw/zinc/32/89/72/553328972.db2.gz RRKBEAXFFPIBBP-UHFFFAOYSA-N 0 0 516.038 4.981 40 10 KJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010113447 553329144 /nfs/dbraw/zinc/32/91/44/553329144.db2.gz ADZDWHWRCIIQCA-MUUNZHRXSA-N 0 0 522.070 4.881 40 10 KJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010113448 553329085 /nfs/dbraw/zinc/32/90/85/553329085.db2.gz ADZDWHWRCIIQCA-NDEPHWFRSA-N 0 0 522.070 4.881 40 10 KJCBRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000010113523 553329104 /nfs/dbraw/zinc/32/91/04/553329104.db2.gz BKLUBJOKKGSPIP-UHFFFAOYSA-N 0 0 517.573 4.817 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010113542 553329288 /nfs/dbraw/zinc/32/92/88/553329288.db2.gz HVYRCYWWRXMQJF-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010113543 553329269 /nfs/dbraw/zinc/32/92/69/553329269.db2.gz XRCDLAYRLFDXJK-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000010113576 553329301 /nfs/dbraw/zinc/32/93/01/553329301.db2.gz CKXARZJIUNNKSO-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000010113577 553329327 /nfs/dbraw/zinc/32/93/27/553329327.db2.gz OEQOHUZVCBOQIP-UHFFFAOYSA-N 0 0 509.697 4.829 40 10 KJCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010113605 553329324 /nfs/dbraw/zinc/32/93/24/553329324.db2.gz QNJUTVLRNNONGM-UHFFFAOYSA-N 0 0 521.727 4.837 40 10 KJCBRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000010113633 553329272 /nfs/dbraw/zinc/32/92/72/553329272.db2.gz VXRLCYYTQJHXBE-UHFFFAOYSA-N 0 0 502.011 4.591 40 10 KJCBRN COc1ccc(N2CCN(C(=O)C(=O)c3c(-c4ccc(OC)c(Cl)c4)cc4ccccn43)CC2)cc1 ZINC000010119252 553329851 /nfs/dbraw/zinc/32/98/51/553329851.db2.gz FLRHJEDHFLKCFF-UHFFFAOYSA-N 0 0 503.986 4.808 40 10 KJCBRN CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000011616816 553339771 /nfs/dbraw/zinc/33/97/71/553339771.db2.gz RAGOYPUPXAKGKH-SUUNXRQISA-N 0 0 700.791 4.573 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000011907986 553348500 /nfs/dbraw/zinc/34/85/00/553348500.db2.gz SWBOOCXVDUTPMY-SDHOMARFSA-N 0 0 519.985 4.634 40 10 KJCBRN CC1(C)CC(=O)CC(C)(C)N1C(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000012223364 553354536 /nfs/dbraw/zinc/35/45/36/553354536.db2.gz IOWTXXCOGRTWBM-GZTJUZNOSA-N 0 0 509.491 4.789 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C ZINC000012447826 553366872 /nfs/dbraw/zinc/36/68/72/553366872.db2.gz HPDLYSXXZLKZMQ-FSJBWODESA-N 0 0 520.567 4.994 40 10 KJCBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000012494256 553381698 /nfs/dbraw/zinc/38/16/98/553381698.db2.gz UAVWBZPPRZWTCK-UHFFFAOYSA-N 0 0 512.569 4.872 40 10 KJCBRN O=C(COC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012529440 553385650 /nfs/dbraw/zinc/38/56/50/553385650.db2.gz HMXVKWYPGAIFCH-WYSDGSMNSA-N 0 0 522.395 4.678 40 10 KJCBRN Cc1cccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025008 553435160 /nfs/dbraw/zinc/43/51/60/553435160.db2.gz OWRFZCWKSLEELE-GDLZYMKVSA-N 0 0 515.654 4.910 40 10 KJCBRN Cc1cccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025010 553435133 /nfs/dbraw/zinc/43/51/33/553435133.db2.gz OWRFZCWKSLEELE-LJAQVGFWSA-N 0 0 515.654 4.910 40 10 KJCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1)C(=O)c1ccco1 ZINC000013025012 553435330 /nfs/dbraw/zinc/43/53/30/553435330.db2.gz QLJJBPDEKZTZQR-NDEPHWFRSA-N 0 0 501.627 4.601 40 10 KJCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1)C(=O)c1ccco1 ZINC000013025014 553435365 /nfs/dbraw/zinc/43/53/65/553435365.db2.gz QLJJBPDEKZTZQR-MUUNZHRXSA-N 0 0 501.627 4.601 40 10 KJCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)c1ccco1 ZINC000013025024 553435376 /nfs/dbraw/zinc/43/53/76/553435376.db2.gz QMYZVECTVGWJRW-HHHXNRCGSA-N 0 0 505.590 4.698 40 10 KJCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)c1ccco1 ZINC000013025026 553435335 /nfs/dbraw/zinc/43/53/35/553435335.db2.gz QMYZVECTVGWJRW-MHZLTWQESA-N 0 0 505.590 4.698 40 10 KJCBRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025033 553435338 /nfs/dbraw/zinc/43/53/38/553435338.db2.gz HHUYCDPBYYWJRX-MUUNZHRXSA-N 0 0 517.626 4.567 40 10 KJCBRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025035 553435325 /nfs/dbraw/zinc/43/53/25/553435325.db2.gz HHUYCDPBYYWJRX-NDEPHWFRSA-N 0 0 517.626 4.567 40 10 KJCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000013025037 553435362 /nfs/dbraw/zinc/43/53/62/553435362.db2.gz OLFCDKGMXWJLJP-HHHXNRCGSA-N 0 0 505.590 4.698 40 10 KJCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000013025039 553435371 /nfs/dbraw/zinc/43/53/71/553435371.db2.gz OLFCDKGMXWJLJP-MHZLTWQESA-N 0 0 505.590 4.698 40 10 KJCBRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025087 553435351 /nfs/dbraw/zinc/43/53/51/553435351.db2.gz QZFJCQNWJADDMA-MUUNZHRXSA-N 0 0 530.625 4.522 40 10 KJCBRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025089 553435375 /nfs/dbraw/zinc/43/53/75/553435375.db2.gz QZFJCQNWJADDMA-NDEPHWFRSA-N 0 0 530.625 4.522 40 10 KJCBRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025092 553435349 /nfs/dbraw/zinc/43/53/49/553435349.db2.gz JWLHWSQHXASUSQ-MUUNZHRXSA-N 0 0 515.610 4.766 40 10 KJCBRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025094 553435356 /nfs/dbraw/zinc/43/53/56/553435356.db2.gz JWLHWSQHXASUSQ-NDEPHWFRSA-N 0 0 515.610 4.766 40 10 KJCBRN CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025096 553435314 /nfs/dbraw/zinc/43/53/14/553435314.db2.gz MKSAQSQCZKNASP-MUUNZHRXSA-N 0 0 515.610 4.766 40 10 KJCBRN CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025098 553435344 /nfs/dbraw/zinc/43/53/44/553435344.db2.gz MKSAQSQCZKNASP-NDEPHWFRSA-N 0 0 515.610 4.766 40 10 KJCBRN CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025100 553435452 /nfs/dbraw/zinc/43/54/52/553435452.db2.gz STLNZARLBMZNKL-MUUNZHRXSA-N 0 0 515.610 4.766 40 10 KJCBRN CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025102 553435492 /nfs/dbraw/zinc/43/54/92/553435492.db2.gz STLNZARLBMZNKL-NDEPHWFRSA-N 0 0 515.610 4.766 40 10 KJCBRN COc1cc(OC)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025113 553435477 /nfs/dbraw/zinc/43/54/77/553435477.db2.gz QKLLLLYGDBERAA-MUUNZHRXSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1cc(OC)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025115 553435456 /nfs/dbraw/zinc/43/54/56/553435456.db2.gz QKLLLLYGDBERAA-NDEPHWFRSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025117 553435460 /nfs/dbraw/zinc/43/54/60/553435460.db2.gz IFFPYZLGTYNNSJ-HHHXNRCGSA-N 0 0 503.599 4.572 40 10 KJCBRN COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025119 553435500 /nfs/dbraw/zinc/43/55/00/553435500.db2.gz IFFPYZLGTYNNSJ-MHZLTWQESA-N 0 0 503.599 4.572 40 10 KJCBRN COc1ccc(OC)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025121 553435458 /nfs/dbraw/zinc/43/54/58/553435458.db2.gz VCDPXQGWWFFPBZ-MUUNZHRXSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1ccc(OC)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025123 553435489 /nfs/dbraw/zinc/43/54/89/553435489.db2.gz VCDPXQGWWFFPBZ-NDEPHWFRSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000013025125 553435467 /nfs/dbraw/zinc/43/54/67/553435467.db2.gz CPYXQOZDSOJCLY-MUUNZHRXSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000013025128 553435471 /nfs/dbraw/zinc/43/54/71/553435471.db2.gz CPYXQOZDSOJCLY-NDEPHWFRSA-N 0 0 533.625 4.580 40 10 KJCBRN COc1ccc(C)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025130 553435480 /nfs/dbraw/zinc/43/54/80/553435480.db2.gz UASCIPOHQLQJTQ-MUUNZHRXSA-N 0 0 517.626 4.880 40 10 KJCBRN COc1ccc(C)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025133 553435463 /nfs/dbraw/zinc/43/54/63/553435463.db2.gz UASCIPOHQLQJTQ-NDEPHWFRSA-N 0 0 517.626 4.880 40 10 KJCBRN COc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025135 553435475 /nfs/dbraw/zinc/43/54/75/553435475.db2.gz AFSOMTSHIKTJBK-HHHXNRCGSA-N 0 0 503.599 4.572 40 10 KJCBRN COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025136 553435485 /nfs/dbraw/zinc/43/54/85/553435485.db2.gz AFSOMTSHIKTJBK-MHZLTWQESA-N 0 0 503.599 4.572 40 10 KJCBRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000013025213 553435650 /nfs/dbraw/zinc/43/56/50/553435650.db2.gz KUSPCGXXGVEXFW-AREMUKBSSA-N 0 0 503.599 4.969 40 10 KJCBRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000013025215 553435637 /nfs/dbraw/zinc/43/56/37/553435637.db2.gz KUSPCGXXGVEXFW-SANMLTNESA-N 0 0 503.599 4.969 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000013302993 553458143 /nfs/dbraw/zinc/45/81/43/553458143.db2.gz ZDJRCHUAYXKXSV-HKBOAZHASA-N 0 0 510.304 4.828 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]32)cc1 ZINC000013304668 553458255 /nfs/dbraw/zinc/45/82/55/553458255.db2.gz XEVKEAOOTIRCCP-BHIFYINESA-N 0 0 505.448 4.709 40 10 KJCBRN CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496346 553463969 /nfs/dbraw/zinc/46/39/69/553463969.db2.gz YZWJNGQRVWEGBV-RUZDIDTESA-N 0 0 502.692 4.766 40 10 KJCBRN CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496347 553464008 /nfs/dbraw/zinc/46/40/08/553464008.db2.gz YZWJNGQRVWEGBV-VWLOTQADSA-N 0 0 502.692 4.766 40 10 KJCBRN CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496354 553463974 /nfs/dbraw/zinc/46/39/74/553463974.db2.gz HWQPHVMDGYNOSR-HHHXNRCGSA-N 0 0 524.698 4.503 40 10 KJCBRN CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496355 553463998 /nfs/dbraw/zinc/46/39/98/553463998.db2.gz HWQPHVMDGYNOSR-MHZLTWQESA-N 0 0 524.698 4.503 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013612062 553477804 /nfs/dbraw/zinc/47/78/04/553477804.db2.gz LMUPTDFVHQYDGF-UHFFFAOYSA-N 0 0 521.683 4.896 40 10 KJCBRN COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013649131 553480299 /nfs/dbraw/zinc/48/02/99/553480299.db2.gz RQUIJMBIIODRRT-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013668142 553480916 /nfs/dbraw/zinc/48/09/16/553480916.db2.gz KUFFVWWYRGANOY-UHFFFAOYSA-N 0 0 528.074 4.851 40 10 KJCBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013669594 553481448 /nfs/dbraw/zinc/48/14/48/553481448.db2.gz AHQKVACSUASUDI-UHFFFAOYSA-N 0 0 528.074 4.769 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000013669914 553481481 /nfs/dbraw/zinc/48/14/81/553481481.db2.gz JPALHMTVUCKXSZ-UHFFFAOYSA-N 0 0 521.683 4.896 40 10 KJCBRN COc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013670748 553481844 /nfs/dbraw/zinc/48/18/44/553481844.db2.gz PMTRMRDOUYKZGZ-UHFFFAOYSA-N 0 0 507.656 4.506 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013670772 553481783 /nfs/dbraw/zinc/48/17/83/553481783.db2.gz IXSYTAXIBIIWCC-UHFFFAOYSA-N 0 0 528.074 4.851 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000013670945 553482004 /nfs/dbraw/zinc/48/20/04/553482004.db2.gz UBVNUCSFSLIGNP-UHFFFAOYSA-N 0 0 507.656 4.587 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013671940 553482152 /nfs/dbraw/zinc/48/21/52/553482152.db2.gz YDZMWHPTQVYPKX-UHFFFAOYSA-N 0 0 525.646 4.726 40 10 KJCBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013672939 553482315 /nfs/dbraw/zinc/48/23/15/553482315.db2.gz KRJWMZQACQTDTD-UHFFFAOYSA-N 0 0 528.074 4.851 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(Cl)c2)cc1 ZINC000013673707 553482448 /nfs/dbraw/zinc/48/24/48/553482448.db2.gz XYLMBXODESMJHJ-UHFFFAOYSA-N 0 0 528.074 4.851 40 10 KJCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000013675295 553482644 /nfs/dbraw/zinc/48/26/44/553482644.db2.gz OBMMPGBRWSVFSE-UHFFFAOYSA-N 0 0 528.074 4.769 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013675689 553482552 /nfs/dbraw/zinc/48/25/52/553482552.db2.gz FHPFFMCIWUCMDK-UHFFFAOYSA-N 0 0 507.656 4.587 40 10 KJCBRN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]32)cc1 ZINC000013739096 553487329 /nfs/dbraw/zinc/48/73/29/553487329.db2.gz WHSJPZOOLKZZRC-XPWALMASSA-N 0 0 519.475 4.963 40 10 KJCBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]21 ZINC000013739108 553487294 /nfs/dbraw/zinc/48/72/94/553487294.db2.gz AWOHXJAXTOIZGJ-BHIFYINESA-N 0 0 505.448 4.709 40 10 KJCBRN CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4O)[C@@H]3C2=O)cc1 ZINC000013751001 553487918 /nfs/dbraw/zinc/48/79/18/553487918.db2.gz JOIKJQPYKCXRGS-GSDHBNRESA-N 0 0 517.538 4.921 40 10 KJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(I)c1O ZINC000013915042 553495580 /nfs/dbraw/zinc/49/55/80/553495580.db2.gz NAXNCRSUYUITGS-MDWZMJQESA-N 0 0 513.129 4.574 40 10 KJCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000014273731 553506793 /nfs/dbraw/zinc/50/67/93/553506793.db2.gz JTXFGIIXTDZZFW-UHFFFAOYSA-N 0 0 514.991 4.662 40 10 KJCBRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000014360659 553514186 /nfs/dbraw/zinc/51/41/86/553514186.db2.gz CXFVXUSIHICWRK-ZQHSETAFSA-N 0 0 523.615 4.522 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014406678 553515599 /nfs/dbraw/zinc/51/55/99/553515599.db2.gz RZORXXIVDSDPQL-AQTBWJFISA-N 0 0 502.361 4.742 40 10 KJCBRN O=C1c2ccccc2C(=O)c2c(NCCOCCNc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000015023319 553527064 /nfs/dbraw/zinc/52/70/64/553527064.db2.gz NQWJPAIKOMDFPS-UHFFFAOYSA-N 0 0 516.553 4.778 40 10 KJCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)cc1 ZINC000015230419 553529870 /nfs/dbraw/zinc/52/98/70/553529870.db2.gz ARWROHHSHZQKAQ-XKZIYDEJSA-N 0 0 510.593 4.716 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000015230427 553529892 /nfs/dbraw/zinc/52/98/92/553529892.db2.gz LFJPGFCRRNTPPN-CVHFWEDTSA-N 0 0 516.616 4.622 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000015230429 553529867 /nfs/dbraw/zinc/52/98/67/553529867.db2.gz LFJPGFCRRNTPPN-UUMRFZBWSA-N 0 0 516.616 4.622 40 10 KJCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000016160674 553555557 /nfs/dbraw/zinc/55/55/57/553555557.db2.gz CCVZCICQWRPPJH-WQRHYEAKSA-N 0 0 509.747 4.663 40 10 KJCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000016268274 553558044 /nfs/dbraw/zinc/55/80/44/553558044.db2.gz LQAHYXJNCKLPEQ-UHFFFAOYSA-N 0 0 516.623 4.721 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)CNc3ccc(C)cc3)C2=O)c1C ZINC000016293202 553559279 /nfs/dbraw/zinc/55/92/79/553559279.db2.gz JDAXNBUMSWQIRA-QFEZKATASA-N 0 0 517.607 4.907 40 10 KJCBRN CCOc1ccccc1N1C(=O)[C@H]([C@H]2SC(=S)N(c3ccccc3OCC)C2=O)SC1=S ZINC000016688841 553573221 /nfs/dbraw/zinc/57/32/21/553573221.db2.gz QSKDRITYGBDFDS-HDICACEKSA-N 0 0 504.680 4.651 40 10 KJCBRN Nc1ccc(C(=O)NC(=CC=Cc2ccco2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000017190733 553590083 /nfs/dbraw/zinc/59/00/83/553590083.db2.gz NXYPOZHHRVRHCP-ZXBXSPEESA-N 0 0 500.514 4.998 40 10 KJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000017373739 553594498 /nfs/dbraw/zinc/59/44/98/553594498.db2.gz BRCCAWYAXJCOIC-GZTJUZNOSA-N 0 0 508.406 4.830 40 10 KJCBRN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017732100 553599648 /nfs/dbraw/zinc/59/96/48/553599648.db2.gz LUDNBEDYZWKYCU-PVHODMMVSA-N 0 0 508.534 4.865 40 10 KJCBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C1=O)CCCC2 ZINC000017994111 553601392 /nfs/dbraw/zinc/60/13/92/553601392.db2.gz SCUKSXPNAKBVMB-SDHOMARFSA-N 0 0 531.634 4.531 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000018007780 553601521 /nfs/dbraw/zinc/60/15/21/553601521.db2.gz SBJMOADHEGSXKL-VJBWXMMDSA-N 0 0 564.377 4.865 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@H]32)cc1 ZINC000018099495 553604019 /nfs/dbraw/zinc/60/40/19/553604019.db2.gz JJFVBYQYOZEZDB-BHIFYINESA-N 0 0 505.448 4.709 40 10 KJCBRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000018115016 553604704 /nfs/dbraw/zinc/60/47/04/553604704.db2.gz WJWWTLYHMHXMSD-ZNZIZOMTSA-N 0 0 516.554 4.501 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]32)cc1 ZINC000018115655 553604783 /nfs/dbraw/zinc/60/47/83/553604783.db2.gz LTGPGKXGUSAGQW-FDFHNCONSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000018153648 553606322 /nfs/dbraw/zinc/60/63/22/553606322.db2.gz ASUNFKITCMGGHT-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]32)cc1 ZINC000018180050 553607432 /nfs/dbraw/zinc/60/74/32/553607432.db2.gz ABZJBTHHXFRTBH-FDFHNCONSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000018180593 553607437 /nfs/dbraw/zinc/60/74/37/553607437.db2.gz ASUNFKITCMGGHT-FSSWDIPSSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000018180623 553607527 /nfs/dbraw/zinc/60/75/27/553607527.db2.gz OFJOQMMYCMPPEC-FDFHNCONSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000018181187 553607691 /nfs/dbraw/zinc/60/76/91/553607691.db2.gz ZYJNHRKOXUVWMK-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000018181188 553607692 /nfs/dbraw/zinc/60/76/92/553607692.db2.gz ZYJNHRKOXUVWMK-FSSWDIPSSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]32)cc1 ZINC000018266883 553611580 /nfs/dbraw/zinc/61/15/80/553611580.db2.gz JJFVBYQYOZEZDB-FDFHNCONSA-N 0 0 505.448 4.709 40 10 KJCBRN COc1cccc(C2N(Cc3ccc(OC)c(OC)c3)CCCN2Cc2ccc(OC)c(OC)c2)c1O ZINC000019325989 553613441 /nfs/dbraw/zinc/61/34/41/553613441.db2.gz UCPWCZAVOHQBNL-UHFFFAOYSA-N 0 0 508.615 4.842 40 10 KJCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cccc(OC)c2O)c(OC)c1 ZINC000019326076 553613486 /nfs/dbraw/zinc/61/34/86/553613486.db2.gz FFYJUMWIZOXHAY-UHFFFAOYSA-N 0 0 508.615 4.842 40 10 KJCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000019826507 193890053 /nfs/dbraw/zinc/89/00/53/193890053.db2.gz PQWVDCNUDQVIGE-MUUNZHRXSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000019826509 553622141 /nfs/dbraw/zinc/62/21/41/553622141.db2.gz PQWVDCNUDQVIGE-NDEPHWFRSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940293 553638375 /nfs/dbraw/zinc/63/83/75/553638375.db2.gz TXBNOMCUNFTWPE-MUUNZHRXSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940294 553638367 /nfs/dbraw/zinc/63/83/67/553638367.db2.gz TXBNOMCUNFTWPE-NDEPHWFRSA-N 0 0 527.673 4.557 40 10 KJCBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940698 553640446 /nfs/dbraw/zinc/64/04/46/553640446.db2.gz ZWEDPHBOMBWNSG-MUUNZHRXSA-N 0 0 527.673 4.502 40 10 KJCBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940699 553640455 /nfs/dbraw/zinc/64/04/55/553640455.db2.gz ZWEDPHBOMBWNSG-NDEPHWFRSA-N 0 0 527.673 4.502 40 10 KJCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940776 553640988 /nfs/dbraw/zinc/64/09/88/553640988.db2.gz WYBFQTFVLZNTPC-MUUNZHRXSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940777 553640972 /nfs/dbraw/zinc/64/09/72/553640972.db2.gz WYBFQTFVLZNTPC-NDEPHWFRSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940870 553641531 /nfs/dbraw/zinc/64/15/31/553641531.db2.gz WCGLEZNCJQWABI-MUUNZHRXSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940871 553641507 /nfs/dbraw/zinc/64/15/07/553641507.db2.gz WCGLEZNCJQWABI-NDEPHWFRSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940944 553641980 /nfs/dbraw/zinc/64/19/80/553641980.db2.gz QLEJOFXDHJBZSX-MUUNZHRXSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940945 553641999 /nfs/dbraw/zinc/64/19/99/553641999.db2.gz QLEJOFXDHJBZSX-NDEPHWFRSA-N 0 0 527.673 4.557 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020061192 553674521 /nfs/dbraw/zinc/67/45/21/553674521.db2.gz NRRUHAJLMFSTQJ-UHFFFAOYSA-N 0 0 528.074 4.510 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020061217 553674749 /nfs/dbraw/zinc/67/47/49/553674749.db2.gz CIIOHNMSNGGAQN-UHFFFAOYSA-N 0 0 528.074 4.510 40 10 KJCBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020105281 553689454 /nfs/dbraw/zinc/68/94/54/553689454.db2.gz XUELHNRJFYWLQB-UHFFFAOYSA-N 0 0 524.514 4.842 40 10 KJCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287176 553632797 /nfs/dbraw/zinc/63/27/97/553632797.db2.gz WBVDDUWEHMIMDT-ONUIUJJFSA-N 0 0 515.526 4.999 40 10 KJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 ZINC000020287272 553632756 /nfs/dbraw/zinc/63/27/56/553632756.db2.gz UEARSTLZQTUFMM-STZFKDTASA-N 0 0 501.033 4.871 40 10 KJCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287326 553632694 /nfs/dbraw/zinc/63/26/94/553632694.db2.gz ZMQBXSRYDPZZEQ-RRAHZORUSA-N 0 0 512.566 4.946 40 10 KJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000020287415 553632776 /nfs/dbraw/zinc/63/27/76/553632776.db2.gz IVEHCWXBEYMCMP-UCQKPKSFSA-N 0 0 508.003 4.803 40 10 KJCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000020288822 553633663 /nfs/dbraw/zinc/63/36/63/553633663.db2.gz XUBPFTDWTPNMAH-IMRQLAEWSA-N 0 0 525.565 4.951 40 10 KJCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 ZINC000020288903 553633967 /nfs/dbraw/zinc/63/39/67/553633967.db2.gz DCNIZCWRFPRHBJ-QJOMJCCJSA-N 0 0 518.668 4.884 40 10 KJCBRN CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1 ZINC000020608668 553678116 /nfs/dbraw/zinc/67/81/16/553678116.db2.gz CMHSMKDYYXWQOE-AJTFRIOCSA-N 0 0 527.712 4.624 40 10 KJCBRN CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1 ZINC000020608669 553678134 /nfs/dbraw/zinc/67/81/34/553678134.db2.gz CMHSMKDYYXWQOE-AMGIVPHBSA-N 0 0 527.712 4.624 40 10 KJCBRN Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CCN([C@@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859548 553762237 /nfs/dbraw/zinc/76/22/37/553762237.db2.gz VDOTYYGPDCAYHS-HEVIKAOCSA-N 0 0 626.618 4.509 40 10 KJCBRN Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCN([C@@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859550 553762245 /nfs/dbraw/zinc/76/22/45/553762245.db2.gz VDOTYYGPDCAYHS-AQOUDTPCSA-N 0 0 626.618 4.509 40 10 KJCBRN Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCN([C@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859552 553762230 /nfs/dbraw/zinc/76/22/30/553762230.db2.gz VDOTYYGPDCAYHS-KKLWWLSJSA-N 0 0 626.618 4.509 40 10 KJCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 ZINC000026503309 1067208011 /nfs/dbraw/zinc/20/80/11/1067208011.db2.gz NBLHKKQCHWZDEW-VRRFBIBZSA-N 0 0 506.653 4.556 40 10 KJCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 ZINC000026503313 1067207934 /nfs/dbraw/zinc/20/79/34/1067207934.db2.gz NBLHKKQCHWZDEW-IRKGSXJTSA-N 0 0 506.653 4.556 40 10 KJCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 ZINC000026503316 1067208248 /nfs/dbraw/zinc/20/82/48/1067208248.db2.gz NBLHKKQCHWZDEW-YZMYHHMWSA-N 0 0 506.653 4.556 40 10 KJCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 ZINC000026503319 1067207961 /nfs/dbraw/zinc/20/79/61/1067207961.db2.gz NBLHKKQCHWZDEW-ISEZKPLKSA-N 0 0 506.653 4.556 40 10 KJCBRN COc1cccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 ZINC000026593359 553819816 /nfs/dbraw/zinc/81/98/16/553819816.db2.gz FOLMYUCZKVVBFX-WQRHYEAKSA-N 0 0 510.431 4.755 40 10 KJCBRN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 ZINC000026608211 553819820 /nfs/dbraw/zinc/81/98/20/553819820.db2.gz ATRUMIVQFLHWPR-HLUGXMBVSA-N 0 0 508.600 4.827 40 10 KJCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000026743519 553820822 /nfs/dbraw/zinc/82/08/22/553820822.db2.gz XZHJDVDPDJTANN-KXYLLZDBSA-N 0 0 508.600 4.971 40 10 KJCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000026743655 553820984 /nfs/dbraw/zinc/82/09/84/553820984.db2.gz GJMQKCLGCQCABI-IOPUFQEFSA-N 0 0 508.600 4.971 40 10 KJCBRN CCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC1=S ZINC000026779655 1067208715 /nfs/dbraw/zinc/20/87/15/1067208715.db2.gz LDEHRXMFPDKDDL-FOWTUZBSSA-N 0 0 502.415 4.861 40 10 KJCBRN CC(C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000026787040 553821267 /nfs/dbraw/zinc/82/12/67/553821267.db2.gz YSTHFTFHYVUGHN-UHFFFAOYSA-N 0 0 510.977 4.711 40 10 KJCBRN COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000026840798 1067208761 /nfs/dbraw/zinc/20/87/61/1067208761.db2.gz BDOTVZCXDHQERE-RCCKNPSSSA-N 0 0 501.589 4.897 40 10 KJCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000026840811 1067208669 /nfs/dbraw/zinc/20/86/69/1067208669.db2.gz SBARVLZKWRIFMX-IQFISFIMSA-N 0 0 500.001 4.520 40 10 KJCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000026840816 1067208634 /nfs/dbraw/zinc/20/86/34/1067208634.db2.gz SBARVLZKWRIFMX-YAJBTMAUSA-N 0 0 500.001 4.520 40 10 KJCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccccc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000026840916 1067208664 /nfs/dbraw/zinc/20/86/64/1067208664.db2.gz HGDISXRSEUCRCS-FYJGNVAPSA-N 0 0 515.572 4.617 40 10 KJCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000027834698 553836461 /nfs/dbraw/zinc/83/64/61/553836461.db2.gz VQTUIFAJDIKXCV-KZVRHOHFSA-N 0 0 508.600 4.827 40 10 KJCBRN CN(CCCC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000028295625 1067208619 /nfs/dbraw/zinc/20/86/19/1067208619.db2.gz FZOHANGRJBUSRH-UHFFFAOYSA-N 0 0 512.587 4.655 40 10 KJCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000028297012 1067208626 /nfs/dbraw/zinc/20/86/26/1067208626.db2.gz CPAKVZBPIVPDIC-CIAFOILYSA-N 0 0 500.045 4.780 40 10 KJCBRN CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000028639340 553843416 /nfs/dbraw/zinc/84/34/16/553843416.db2.gz RAGOYPUPXAKGKH-IGDKMDNBSA-N 0 0 700.791 4.573 40 10 fda KJCBRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000028712571 553843555 /nfs/dbraw/zinc/84/35/55/553843555.db2.gz HUADITLKOCMHSB-TUJWMRSMSA-N 0 0 672.737 4.549 40 10 in-man KJCBRN Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 ZINC000029491290 553845007 /nfs/dbraw/zinc/84/50/07/553845007.db2.gz YMSFVXBMVHFFBX-OFWBYEQRSA-N 0 0 568.637 4.989 40 10 KJCBRN COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1CC=C(C)C ZINC000031162751 553861142 /nfs/dbraw/zinc/86/11/42/553861142.db2.gz BVSLLGGUGCRTFA-PMERELPUSA-N 0 0 522.594 4.890 40 10 biogenic,in-vitro KJCBRN COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1CC=C(C)C ZINC000031162755 553861122 /nfs/dbraw/zinc/86/11/22/553861122.db2.gz BVSLLGGUGCRTFA-SSEXGKCCSA-N 0 0 522.594 4.890 40 10 biogenic,in-vitro KJCBRN COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1cc(O)c(O)c(CC=C(C)C)c1 ZINC000031162766 291866913 /nfs/dbraw/zinc/86/69/13/291866913.db2.gz LARSXHUKWMVHRB-PMERELPUSA-N 0 0 522.594 4.890 40 10 biogenic,in-vitro KJCBRN COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1cc(O)c(O)c(CC=C(C)C)c1 ZINC000031162770 291866947 /nfs/dbraw/zinc/86/69/47/291866947.db2.gz LARSXHUKWMVHRB-SSEXGKCCSA-N 0 0 522.594 4.890 40 10 biogenic,in-vitro KJCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 ZINC000032109361 553862909 /nfs/dbraw/zinc/86/29/09/553862909.db2.gz UWALRSXGCTUSJG-MJSBPXROSA-N 0 0 514.991 4.844 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000032109379 553862878 /nfs/dbraw/zinc/86/28/78/553862878.db2.gz DLNQYVIPPVOEJG-QERXFZHVSA-N 0 0 514.991 4.844 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000032109383 553862933 /nfs/dbraw/zinc/86/29/33/553862933.db2.gz JGQQYZMTNUXFBN-IOPUFQEFSA-N 0 0 508.600 4.507 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000032109384 553862922 /nfs/dbraw/zinc/86/29/22/553862922.db2.gz JHRBABRIALSDEL-BSMJIXEWSA-N 0 0 522.627 4.816 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000032109385 553862862 /nfs/dbraw/zinc/86/28/62/553862862.db2.gz MMPQMMVJAPEHRH-UKHUTJJTSA-N 0 0 522.627 4.897 40 10 KJCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=N)S1 ZINC000032109389 553862866 /nfs/dbraw/zinc/86/28/66/553862866.db2.gz GXXPWGLQDKEOER-RIHJCCTQSA-N 0 0 512.613 4.581 40 10 KJCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000032109397 553862919 /nfs/dbraw/zinc/86/29/19/553862919.db2.gz XBUUHRMROUDEET-UKHUTJJTSA-N 0 0 522.627 4.897 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000032109561 553863296 /nfs/dbraw/zinc/86/32/96/553863296.db2.gz XCIBUOQWDYORMS-DKWOXAKMSA-N 0 0 518.517 4.951 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000032109562 553863235 /nfs/dbraw/zinc/86/32/35/553863235.db2.gz JEPBHIPNAQPRPD-SOXLPYPMSA-N 0 0 518.517 4.951 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C ZINC000032121203 553865595 /nfs/dbraw/zinc/86/55/95/553865595.db2.gz PMFQDHFLPSSGRG-OEAKJJBVSA-N 0 0 503.580 4.864 40 10 KJCBRN O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S ZINC000032594767 553869517 /nfs/dbraw/zinc/86/95/17/553869517.db2.gz KXEYALCODFJPHL-STZFKDTASA-N 0 0 503.630 4.663 40 10 KJCBRN O=C(CCCN1C(=O)[C@@H](CCCCNC(=O)c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000032594788 553869993 /nfs/dbraw/zinc/86/99/93/553869993.db2.gz LQUXQBNJCPLDTE-HXUWFJFHSA-N 0 0 504.077 4.888 40 10 KJCBRN O=C(CCCN1C(=O)[C@H](CCCCNC(=O)c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000032594789 553870008 /nfs/dbraw/zinc/87/00/08/553870008.db2.gz LQUXQBNJCPLDTE-FQEVSTJZSA-N 0 0 504.077 4.888 40 10 KJCBRN COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl ZINC000033534198 553962071 /nfs/dbraw/zinc/96/20/71/553962071.db2.gz FZBSOZQJJQYXTF-ITRUVEPVSA-N 0 0 521.002 4.827 40 10 KJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000033540833 553962295 /nfs/dbraw/zinc/96/22/95/553962295.db2.gz LQRBABGYGITERR-XKZNGBPRSA-N 0 0 505.401 4.919 40 10 KJCBRN COc1ccc([C@@H]2NC(=S)N[C@@]34Oc5c(O)c(O)ccc5[C@@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 ZINC000033699198 553968810 /nfs/dbraw/zinc/96/88/10/553968810.db2.gz ISPSPYAXVKKUQA-OFXBGWBLSA-N 0 0 518.635 4.971 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033717852 553970117 /nfs/dbraw/zinc/97/01/17/553970117.db2.gz YEHUGCDNQOGVOB-WHNPURCTSA-N 0 0 517.695 4.768 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000033717856 553970145 /nfs/dbraw/zinc/97/01/45/553970145.db2.gz YEHUGCDNQOGVOB-HPFVHPJRSA-N 0 0 517.695 4.768 40 10 KJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000033756585 553972119 /nfs/dbraw/zinc/97/21/19/553972119.db2.gz UACVXNPWLXDXBH-RFNDTBEZSA-N 0 0 505.401 4.919 40 10 KJCBRN CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)S2)CC1 ZINC000034829172 1067209327 /nfs/dbraw/zinc/20/93/27/1067209327.db2.gz ZKLWPFQUJSLLIQ-JJIBRWJFSA-N 0 0 516.623 4.793 40 10 KJCBRN O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000035419927 554049554 /nfs/dbraw/zinc/04/95/54/554049554.db2.gz ISIOOENCMZRCAH-YBEGLDIGSA-N 0 0 500.313 4.611 40 10 KJCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)NC4CCCCC4)c(OCC)c3)C2=O)cc1 ZINC000036612305 554225742 /nfs/dbraw/zinc/22/57/42/554225742.db2.gz ZOYZYXDFOLWBBM-KOEQRZSOSA-N 0 0 533.625 4.896 40 10 KJCBRN 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CC(C)Cc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000041074387 554292043 /nfs/dbraw/zinc/29/20/43/554292043.db2.gz XBJUZZCSYFBROU-WKZPCTCASA-N 0 0 503.535 4.838 40 10 KJCBRN CCCc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 ZINC000041074389 554291990 /nfs/dbraw/zinc/29/19/90/554291990.db2.gz PMAXLISADIYOLB-WKZPCTCASA-N 0 0 503.535 4.900 40 10 KJCBRN Cc1ccc(OCCOCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 ZINC000041076290 554292055 /nfs/dbraw/zinc/29/20/55/554292055.db2.gz LQZIOFNNYKKBCO-LUIHIUCZSA-N 0 0 518.517 4.651 40 10 KJCBRN N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000041076719 554292158 /nfs/dbraw/zinc/29/21/58/554292158.db2.gz CWKLNAYVIJJLGZ-QGUUBAPPSA-N 0 0 506.385 4.938 40 10 KJCBRN CC(C)(c1ccccc1)c1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 ZINC000041077958 554293809 /nfs/dbraw/zinc/29/38/09/554293809.db2.gz UABIJWWXOZEPIK-UHFFFAOYSA-N 0 0 509.631 4.961 40 10 KJCBRN 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O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059489932 554398646 /nfs/dbraw/zinc/39/86/46/554398646.db2.gz DDFIRKSIUYALPI-GDLZYMKVSA-N 0 0 516.598 4.567 40 10 KJCBRN O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059489933 554398689 /nfs/dbraw/zinc/39/86/89/554398689.db2.gz DDFIRKSIUYALPI-LJAQVGFWSA-N 0 0 516.598 4.567 40 10 KJCBRN CCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C(=O)N(CC)C1=S ZINC000059639111 554416719 /nfs/dbraw/zinc/41/67/19/554416719.db2.gz WLMGJOMOHDPCMC-UHFFFAOYSA-N 0 0 507.490 4.572 40 10 KJCBRN O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000059690713 554424622 /nfs/dbraw/zinc/42/46/22/554424622.db2.gz TZGLFACAIQFNGR-HMAPJEAMSA-N 0 0 533.656 4.575 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059882848 554458940 /nfs/dbraw/zinc/45/89/40/554458940.db2.gz BVLHXUAIZLSIIP-UHFFFAOYSA-N 0 0 534.465 4.546 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059884628 554463033 /nfs/dbraw/zinc/46/30/33/554463033.db2.gz UIRCPPIESMTVEC-UHFFFAOYSA-N 0 0 548.492 4.855 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059885097 554463946 /nfs/dbraw/zinc/46/39/46/554463946.db2.gz TXDICQRZDGLANA-UHFFFAOYSA-N 0 0 534.465 4.546 40 10 KJCBRN CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000060392780 554505506 /nfs/dbraw/zinc/50/55/06/554505506.db2.gz RAGOYPUPXAKGKH-HVLRKXNMSA-N 0 0 700.791 4.573 40 10 KJCBRN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000071328064 1067209749 /nfs/dbraw/zinc/20/97/49/1067209749.db2.gz KQGKVEZMGZPXHV-UHFFFAOYSA-N 0 0 508.688 4.893 40 10 KJCBRN C[C@@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072131399 553642865 /nfs/dbraw/zinc/64/28/65/553642865.db2.gz ISJVOEOJQLKSJU-USBWHEMKSA-N 0 0 721.646 4.548 40 10 in-vitro KJCBRN C[C@@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072131400 553642807 /nfs/dbraw/zinc/64/28/07/553642807.db2.gz ISJVOEOJQLKSJU-HYQHGBLTSA-N 0 0 721.646 4.548 40 10 in-vitro KJCBRN C[C@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072131401 553642849 /nfs/dbraw/zinc/64/28/49/553642849.db2.gz ISJVOEOJQLKSJU-LYOUJYNMSA-N 0 0 721.646 4.548 40 10 world KJCBRN C[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072131402 553642780 /nfs/dbraw/zinc/64/27/80/553642780.db2.gz ISJVOEOJQLKSJU-WMPLOEGMSA-N 0 0 721.646 4.548 40 10 in-vitro KJCBRN O=C([O-])c1ccccc1CN1CC[NH+](Cc2ccccc2C(=O)[O-])CCN(Cc2ccccc2O)CC[N@H+](Cc2ccccc2O)CC1 ZINC000095101078 553700179 /nfs/dbraw/zinc/70/01/79/553700179.db2.gz GMTYUWMLNKMKCM-UHFFFAOYSA-N 0 0 652.792 4.816 40 10 KJCBRN C[C@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000095618827 553705972 /nfs/dbraw/zinc/70/59/72/553705972.db2.gz ISJVOEOJQLKSJU-JOVCZUTNSA-N 0 0 721.646 4.548 40 10 world KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000096022221 553720105 /nfs/dbraw/zinc/72/01/05/553720105.db2.gz NAZDCVIGBXHNIV-PRLWALMFSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000096022222 553720150 /nfs/dbraw/zinc/72/01/50/553720150.db2.gz NAZDCVIGBXHNIV-FUFNRSNVSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000096193721 1067211105 /nfs/dbraw/zinc/21/11/05/1067211105.db2.gz VDBASHCJGVVSPE-UHFFFAOYSA-N 0 0 507.768 4.514 40 10 KJCBRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000097947926 553789738 /nfs/dbraw/zinc/78/97/38/553789738.db2.gz PQUCHGUJQDISOQ-XPWALMASSA-N 0 0 546.373 4.543 40 10 KJCBRN CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Br)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000097951757 553811067 /nfs/dbraw/zinc/81/10/67/553811067.db2.gz IDGKTPAFWVYTSK-XPWALMASSA-N 0 0 530.374 4.707 40 10 KJCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957607 1067211032 /nfs/dbraw/zinc/21/10/32/1067211032.db2.gz IFVSKWYVCGVMHX-XQNSMLJCSA-N 0 0 581.679 4.999 40 10 KJCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097957610 1067210893 /nfs/dbraw/zinc/21/08/93/1067210893.db2.gz MNGHZGJAVOBTFV-IQFISFIMSA-N 0 0 544.452 4.630 40 10 KJCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000097957611 1067211086 /nfs/dbraw/zinc/21/10/86/1067211086.db2.gz MNGHZGJAVOBTFV-YAJBTMAUSA-N 0 0 544.452 4.630 40 10 KJCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccc(C)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957614 1067211008 /nfs/dbraw/zinc/21/10/08/1067211008.db2.gz YLATUQBRCMUVEA-HAVVHWLPSA-N 0 0 581.679 4.999 40 10 KJCBRN Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097957617 1067210914 /nfs/dbraw/zinc/21/09/14/1067210914.db2.gz MQAPUNPSAKDJJW-LPYMAVHISA-N 0 0 529.599 4.925 40 10 KJCBRN COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097957618 1067211117 /nfs/dbraw/zinc/21/11/17/1067211117.db2.gz WBXKKCSBDWJUQM-LPYMAVHISA-N 0 0 545.598 4.626 40 10 KJCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccccc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957620 1067211124 /nfs/dbraw/zinc/21/11/24/1067211124.db2.gz CDMBXHHACOHBAM-HAVVHWLPSA-N 0 0 581.679 4.999 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000097957760 553848179 /nfs/dbraw/zinc/84/81/79/553848179.db2.gz HHOUUXBZIXCIHM-QERXFZHVSA-N 0 0 606.442 4.795 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097957826 553848803 /nfs/dbraw/zinc/84/88/03/553848803.db2.gz RTHOPBLQLVSONN-BOPFTXTBSA-N 0 0 528.471 4.755 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000097957847 553848792 /nfs/dbraw/zinc/84/87/92/553848792.db2.gz HRUKQWZSTRBJFS-SZRLJQQQSA-N 0 0 529.416 4.945 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000097958555 553855880 /nfs/dbraw/zinc/85/58/80/553855880.db2.gz QPKVLPIYBBQRCU-UXMLFEQVSA-N 0 0 576.416 4.787 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000097958720 553857070 /nfs/dbraw/zinc/85/70/70/553857070.db2.gz IXNKUAKQRKLILK-QERXFZHVSA-N 0 0 559.442 4.953 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCCOc1ccccc1 ZINC000097958933 553859038 /nfs/dbraw/zinc/85/90/38/553859038.db2.gz YSCZRNHVUQUHLO-ATVHPVEESA-N 0 0 527.405 4.589 40 10 KJCBRN COc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097964292 553896911 /nfs/dbraw/zinc/89/69/11/553896911.db2.gz ZSVUQOAQTFOLAA-FDUAJKPBSA-N 0 0 517.954 4.630 40 10 KJCBRN CCOc1cc(/C=C2/C(=N)N3C(C)=C(C(=O)OC)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000097964295 553896847 /nfs/dbraw/zinc/89/68/47/553896847.db2.gz ZCWWNALBAALRSP-GQHYPKHLSA-N 0 0 535.622 4.870 40 10 KJCBRN COc1ccc(OCCOc2c(I)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000097964312 553897256 /nfs/dbraw/zinc/89/72/56/553897256.db2.gz MVKLNUGDLYZHBZ-SWYFNLGCSA-N 0 0 646.385 4.948 40 10 KJCBRN COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 ZINC000097964335 553897460 /nfs/dbraw/zinc/89/74/60/553897460.db2.gz IODGWUVPNRVJBL-HTWVIFJXSA-N 0 0 524.624 4.662 40 10 KJCBRN COc1cccc(OCCOc2c(I)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 ZINC000097964377 553897829 /nfs/dbraw/zinc/89/78/29/553897829.db2.gz LVAMJYVZXIHXIV-WQRHYEAKSA-N 0 0 557.431 4.597 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccccc1C ZINC000097964378 553897792 /nfs/dbraw/zinc/89/77/92/553897792.db2.gz QGQKORZQQAXSNY-ZHZULCJRSA-N 0 0 585.485 4.914 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccc(C)cc1 ZINC000097964379 553897858 /nfs/dbraw/zinc/89/78/58/553897858.db2.gz KXKWAXQGWTWCNK-ZHZULCJRSA-N 0 0 585.485 4.914 40 10 KJCBRN CC(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 ZINC000097964515 553898994 /nfs/dbraw/zinc/89/89/94/553898994.db2.gz FVOJBAXQXOKIJZ-JZSRTLTASA-N 0 0 547.058 4.542 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000097964604 553899213 /nfs/dbraw/zinc/89/92/13/553899213.db2.gz VZHBMBGPGABPPD-WTCHAKAYSA-N 0 0 526.343 4.606 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 ZINC000097964606 553899283 /nfs/dbraw/zinc/89/92/83/553899283.db2.gz ZSTNFHMNPFDGIC-IUSLSNNWSA-N 0 0 526.343 4.526 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccc(OC)c1 ZINC000097964607 553899287 /nfs/dbraw/zinc/89/92/87/553899287.db2.gz XJRDBBQYSGZPPU-BKIFDKCZSA-N 0 0 526.343 4.526 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000097964610 553899300 /nfs/dbraw/zinc/89/93/00/553899300.db2.gz ISMJMDGQBSBYGN-PUHYCJLASA-N 0 0 526.387 4.983 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1c(C)cccc1C ZINC000097964611 553899274 /nfs/dbraw/zinc/89/92/74/553899274.db2.gz JPMPJWPWASOZDQ-QPUILPENSA-N 0 0 526.387 4.983 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C ZINC000097964613 553899175 /nfs/dbraw/zinc/89/91/75/553899175.db2.gz KZEWJQZFAWLSKS-QPUILPENSA-N 0 0 526.387 4.983 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000097964614 553899296 /nfs/dbraw/zinc/89/92/96/553899296.db2.gz JHWJTIFZEDMCRO-QPUILPENSA-N 0 0 526.387 4.983 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000097964615 553899206 /nfs/dbraw/zinc/89/92/06/553899206.db2.gz PRUQWHYYYBHJAB-PUHYCJLASA-N 0 0 526.387 4.983 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000097964621 553899567 /nfs/dbraw/zinc/89/95/67/553899567.db2.gz QLHYWCGCFHCLKL-PWWWXZSSSA-N 0 0 542.386 4.765 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 ZINC000097964622 553899569 /nfs/dbraw/zinc/89/95/69/553899569.db2.gz AAYUSMISCZQFCE-NMESBGBPSA-N 0 0 542.386 4.765 40 10 KJCBRN COc1cc(/C=C2\C(=O)N=C3SC(CC(C)C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000097964674 553899786 /nfs/dbraw/zinc/89/97/86/553899786.db2.gz RGCHXFIZBHKFQO-OHMBLGONSA-N 0 0 535.626 4.777 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000097964678 553899807 /nfs/dbraw/zinc/89/98/07/553899807.db2.gz YLTHDMBKXSMXEO-WTPQPOPRSA-N 0 0 535.626 4.777 40 10 KJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OCC)c3)C2=N)S1 ZINC000097964690 553900132 /nfs/dbraw/zinc/90/01/32/553900132.db2.gz HUBKEGIBQLIDQI-VKRJAPGXSA-N 0 0 535.626 4.921 40 10 KJCBRN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097964811 553900913 /nfs/dbraw/zinc/90/09/13/553900913.db2.gz TYYZKQFHEAMZCM-VHLAIDERSA-N 0 0 517.954 4.630 40 10 KJCBRN COc1cccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 ZINC000097964812 553900898 /nfs/dbraw/zinc/90/08/98/553900898.db2.gz DCEXHFPXPWKBDQ-DHVTZTJESA-N 0 0 547.980 4.639 40 10 KJCBRN COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1 ZINC000097964813 553900967 /nfs/dbraw/zinc/90/09/67/553900967.db2.gz TZUFCURZRKLJGK-AYCXEIPGSA-N 0 0 547.980 4.639 40 10 KJCBRN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000097964814 553900938 /nfs/dbraw/zinc/90/09/38/553900938.db2.gz QKTAMIQMHOQDCV-NEGDKNQBSA-N 0 0 547.980 4.719 40 10 KJCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1OC ZINC000097964815 553900895 /nfs/dbraw/zinc/90/08/95/553900895.db2.gz JITFWUXWUALYEG-FQNGMTIYSA-N 0 0 547.980 4.639 40 10 KJCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000097964884 553901230 /nfs/dbraw/zinc/90/12/30/553901230.db2.gz HCUHZNGJKXFPRI-YBSSFRMFSA-N 0 0 542.017 4.794 40 10 KJCBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)c1 ZINC000097964905 553901552 /nfs/dbraw/zinc/90/15/52/553901552.db2.gz BNZLPQJNMLEEBP-XGCFFSCVSA-N 0 0 534.619 4.891 40 10 KJCBRN COC(=O)c1sc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)c(C(=O)OC)c1C ZINC000097979475 553979721 /nfs/dbraw/zinc/97/97/21/553979721.db2.gz ZHHATBIFPQPTQG-ZQHSETAFSA-N 0 0 538.582 4.907 40 10 KJCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000097979477 553979695 /nfs/dbraw/zinc/97/96/95/553979695.db2.gz CHZKIVKNEUZETH-QVIHXGFCSA-N 0 0 535.626 4.748 40 10 KJCBRN COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000098007435 554064200 /nfs/dbraw/zinc/06/42/00/554064200.db2.gz QVJRDTBWOVHLRN-VHEIIQRDSA-N 0 0 570.092 4.626 40 10 KJCBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000098007438 554064218 /nfs/dbraw/zinc/06/42/18/554064218.db2.gz WLVOUDPLSOEFFG-LQGLAIQGSA-N 0 0 599.488 4.626 40 10 KJCBRN CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000098007833 554064545 /nfs/dbraw/zinc/06/45/45/554064545.db2.gz DTAIXEYKHUWKQM-LQGLAIQGSA-N 0 0 528.030 4.748 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@H]12 ZINC000098045399 554131573 /nfs/dbraw/zinc/13/15/73/554131573.db2.gz HZLFERFNCYBETC-HKBOAZHASA-N 0 0 628.216 4.749 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000098045408 554131529 /nfs/dbraw/zinc/13/15/29/554131529.db2.gz SNRIIZHGTUHORD-HKBOAZHASA-N 0 0 536.765 4.798 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000098046199 554136742 /nfs/dbraw/zinc/13/67/42/554136742.db2.gz LHTGHUPYSKSIPE-ASSGYOTOSA-N 0 0 529.065 4.593 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000098046200 554136780 /nfs/dbraw/zinc/13/67/80/554136780.db2.gz LHTGHUPYSKSIPE-OGRZUZBBSA-N 0 0 529.065 4.593 40 10 KJCBRN Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000100054577 554195617 /nfs/dbraw/zinc/19/56/17/554195617.db2.gz AZPSSDWPMSICSH-JIMJEQGWSA-N 0 0 509.566 4.820 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1Br ZINC000100072869 554202461 /nfs/dbraw/zinc/20/24/61/554202461.db2.gz JCFNDDIYLKAMGB-UHFFFAOYSA-N 0 0 572.525 4.878 40 10 KJCBRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000100072933 554202384 /nfs/dbraw/zinc/20/23/84/554202384.db2.gz LFNRYYQORGWHHI-UHFFFAOYSA-N 0 0 528.472 4.561 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1OC ZINC000100073372 554202861 /nfs/dbraw/zinc/20/28/61/554202861.db2.gz XSVORUSXXSTUMN-UHFFFAOYSA-N 0 0 537.682 4.514 40 10 KJCBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000100074995 554203800 /nfs/dbraw/zinc/20/38/00/554203800.db2.gz LFRAASRXIMLBFS-UHFFFAOYSA-N 0 0 537.682 4.514 40 10 KJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000100075111 554203821 /nfs/dbraw/zinc/20/38/21/554203821.db2.gz QVUBAEMPZSRICF-UHFFFAOYSA-N 0 0 541.673 4.849 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000100076566 554204608 /nfs/dbraw/zinc/20/46/08/554204608.db2.gz OLTXSDYOARKQOD-UHFFFAOYSA-N 0 0 572.525 4.960 40 10 KJCBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100078406 554205525 /nfs/dbraw/zinc/20/55/25/554205525.db2.gz FQABFRQFDFMSCJ-UHFFFAOYSA-N 0 0 573.071 4.677 40 10 KJCBRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100079085 554205742 /nfs/dbraw/zinc/20/57/42/554205742.db2.gz XCGZITSFFMNTNP-UHFFFAOYSA-N 0 0 589.499 4.793 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000100082084 554207297 /nfs/dbraw/zinc/20/72/97/554207297.db2.gz YQMFSYSBHOIKHG-UHFFFAOYSA-N 0 0 567.708 4.605 40 10 KJCBRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000100085408 554208700 /nfs/dbraw/zinc/20/87/00/554208700.db2.gz AWDIUSOBHYKNHF-UHFFFAOYSA-N 0 0 528.472 4.561 40 10 KJCBRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000100086443 554209007 /nfs/dbraw/zinc/20/90/07/554209007.db2.gz USSRVFNYFBPYOJ-UHFFFAOYSA-N 0 0 548.492 4.726 40 10 KJCBRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100086765 554209287 /nfs/dbraw/zinc/20/92/87/554209287.db2.gz NEYDRVZYZQVNNX-UHFFFAOYSA-N 0 0 542.499 4.951 40 10 KJCBRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100087505 554209580 /nfs/dbraw/zinc/20/95/80/554209580.db2.gz YJMTXQAUTWJIOP-UHFFFAOYSA-N 0 0 542.499 4.951 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000100088464 554210009 /nfs/dbraw/zinc/21/00/09/554210009.db2.gz XJYXIWCZLSGSNV-UHFFFAOYSA-N 0 0 539.723 4.919 40 10 KJCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000100089188 554210037 /nfs/dbraw/zinc/21/00/37/554210037.db2.gz NAGWLNRTXXKWRQ-UHFFFAOYSA-N 0 0 548.492 4.650 40 10 KJCBRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000100089385 554210376 /nfs/dbraw/zinc/21/03/76/554210376.db2.gz JMMTVSVEZLRRDK-UHFFFAOYSA-N 0 0 568.017 4.707 40 10 KJCBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)CC2)cc1 ZINC000100094768 554215421 /nfs/dbraw/zinc/21/54/21/554215421.db2.gz QAVNMPMBCSMJTC-UHFFFAOYSA-N 0 0 548.492 4.931 40 10 KJCBRN COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4c(Cl)cccc4Cl)S(C)(=O)=O)cc3)CC2)cc1 ZINC000100096872 554218189 /nfs/dbraw/zinc/21/81/89/554218189.db2.gz QSFPPNGTYGOEIS-UHFFFAOYSA-N 0 0 548.492 4.931 40 10 KJCBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c(C(=O)OCC)c1C ZINC000100133894 554226147 /nfs/dbraw/zinc/22/61/47/554226147.db2.gz LLFORPALGRNWBN-UHFFFAOYSA-N 0 0 542.595 4.846 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000100208235 554248595 /nfs/dbraw/zinc/24/85/95/554248595.db2.gz PYSNVIODYRDZKJ-XYGWBWBKSA-N 0 0 500.551 4.551 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000100215746 554250019 /nfs/dbraw/zinc/25/00/19/554250019.db2.gz ZLEKCTVMKPFBEY-CHHVJCJISA-N 0 0 521.161 4.818 40 10 KJCBRN CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c([O-])c(CN3CC[NH+](C)CC3)c21 ZINC000100215921 554250297 /nfs/dbraw/zinc/25/02/97/554250297.db2.gz SEEDMUGABJDEII-UHFFFAOYSA-N 0 0 532.504 4.863 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000100267122 554267493 /nfs/dbraw/zinc/26/74/93/554267493.db2.gz SNSLFQXCFGDDTG-FWDDTQSRSA-N 0 0 563.455 4.563 40 10 KJCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100267170 554267459 /nfs/dbraw/zinc/26/74/59/554267459.db2.gz ACAHNNUSALZJLW-NFFSQDDPSA-N 0 0 577.482 4.953 40 10 KJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=N)S1 ZINC000100267292 554267423 /nfs/dbraw/zinc/26/74/23/554267423.db2.gz QPBFRNJIVREKEU-FWDDTQSRSA-N 0 0 546.390 4.908 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100267871 554267957 /nfs/dbraw/zinc/26/79/57/554267957.db2.gz MXNJZNTYXRKCIT-UOSKESRZSA-N 0 0 533.031 4.700 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100267878 554267989 /nfs/dbraw/zinc/26/79/89/554267989.db2.gz LOPUYEKMGUACNT-UOSKESRZSA-N 0 0 577.482 4.809 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100268521 554268146 /nfs/dbraw/zinc/26/81/46/554268146.db2.gz APJDQRPSAPENNT-NMVMGKAGSA-N 0 0 548.543 4.659 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100269789 554268893 /nfs/dbraw/zinc/26/88/93/554268893.db2.gz ZWSWAFPYZCAZBD-ZHZULCJRSA-N 0 0 528.589 4.777 40 10 KJCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000100273046 554270663 /nfs/dbraw/zinc/27/06/63/554270663.db2.gz NRHYJHQXUZLHSD-JGFJFTIDSA-N 0 0 524.908 4.988 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000100275733 554272216 /nfs/dbraw/zinc/27/22/16/554272216.db2.gz DOAAYTKNZJNBFJ-UUASQNMZSA-N 0 0 521.161 4.818 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000100275984 554272467 /nfs/dbraw/zinc/27/24/67/554272467.db2.gz GOGWUCHAMFZKQO-QQXSKIMKSA-N 0 0 528.561 4.599 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000100277140 554274787 /nfs/dbraw/zinc/27/47/87/554274787.db2.gz LLLOCOMRTSMXPE-IMRQLAEWSA-N 0 0 544.579 4.767 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100306562 554294843 /nfs/dbraw/zinc/29/48/43/554294843.db2.gz CGBGUWPXSAKVOT-WTDOPDLHSA-N 0 0 544.076 4.655 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100306566 554294825 /nfs/dbraw/zinc/29/48/25/554294825.db2.gz CGBGUWPXSAKVOT-OLIAQGHGSA-N 0 0 544.076 4.655 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1F ZINC000100323294 554306954 /nfs/dbraw/zinc/30/69/54/554306954.db2.gz LMVDEZTXHQRCEU-SXGWCWSVSA-N 0 0 515.369 4.849 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc(OC)c1OC ZINC000100323883 554307781 /nfs/dbraw/zinc/30/77/81/554307781.db2.gz PHZDUAGNBGNFGL-MOHJPFBDSA-N 0 0 540.707 4.785 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000100329981 554312091 /nfs/dbraw/zinc/31/20/91/554312091.db2.gz KLBNZWDPOHAENY-FIBWVYCGSA-N 0 0 602.139 4.746 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000100329983 554312118 /nfs/dbraw/zinc/31/21/18/554312118.db2.gz KLBNZWDPOHAENY-BHBYDHKZSA-N 0 0 602.139 4.746 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000100329987 554312147 /nfs/dbraw/zinc/31/21/47/554312147.db2.gz KLBNZWDPOHAENY-OFSOJUDTSA-N 0 0 602.139 4.746 40 10 KJCBRN Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000100329989 554312145 /nfs/dbraw/zinc/31/21/45/554312145.db2.gz KLBNZWDPOHAENY-POURPWNDSA-N 0 0 602.139 4.746 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100329993 554312094 /nfs/dbraw/zinc/31/20/94/554312094.db2.gz BLXYZIAWEGJZRA-SVEHJYQDSA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100329996 554312106 /nfs/dbraw/zinc/31/21/06/554312106.db2.gz BLXYZIAWEGJZRA-ABYGYWHVSA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330001 554312459 /nfs/dbraw/zinc/31/24/59/554312459.db2.gz BLXYZIAWEGJZRA-IRPSRAIASA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330005 554312441 /nfs/dbraw/zinc/31/24/41/554312441.db2.gz BLXYZIAWEGJZRA-VAVYLYDRSA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330010 554312450 /nfs/dbraw/zinc/31/24/50/554312450.db2.gz ZMXVGSMNNJHOBS-YTMVLYRLSA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330014 554312447 /nfs/dbraw/zinc/31/24/47/554312447.db2.gz ZMXVGSMNNJHOBS-LMSSTIIKSA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330018 554312406 /nfs/dbraw/zinc/31/24/06/554312406.db2.gz ZMXVGSMNNJHOBS-PXJZQJOASA-N 0 0 621.664 4.803 40 10 KJCBRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000100330022 554312403 /nfs/dbraw/zinc/31/24/03/554312403.db2.gz ZMXVGSMNNJHOBS-XRKRLSELSA-N 0 0 621.664 4.803 40 10 KJCBRN COc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)ccc1-n1cnnn1 ZINC000100332841 554315388 /nfs/dbraw/zinc/31/53/88/554315388.db2.gz QFWTXBBWSSOFAO-XIFFEERXSA-N 0 0 606.731 4.984 40 10 KJCBRN COc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)ccc1-n1cnnn1 ZINC000100332844 554315406 /nfs/dbraw/zinc/31/54/06/554315406.db2.gz QFWTXBBWSSOFAO-MGBGTMOVSA-N 0 0 606.731 4.984 40 10 KJCBRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100357166 554337754 /nfs/dbraw/zinc/33/77/54/554337754.db2.gz OERIDTFZSRJGSQ-NDEPHWFRSA-N 0 0 545.636 4.740 40 10 KJCBRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100357168 554337749 /nfs/dbraw/zinc/33/77/49/554337749.db2.gz OERIDTFZSRJGSQ-MUUNZHRXSA-N 0 0 545.636 4.740 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100378889 554361728 /nfs/dbraw/zinc/36/17/28/554361728.db2.gz PDRRVGGXVULFDS-CXUHLZMHSA-N 0 0 542.376 4.666 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC ZINC000100390206 554366534 /nfs/dbraw/zinc/36/65/34/554366534.db2.gz YYDOMOZSHKHRAV-GIJQJNRQSA-N 0 0 556.449 4.882 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C ZINC000100413956 554377332 /nfs/dbraw/zinc/37/73/32/554377332.db2.gz IPMVSCMWTBDRKB-VJBWXMMDSA-N 0 0 530.374 4.761 40 10 KJCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Br)c3)C(=O)c3ccccc3C2=O)cc1C ZINC000100413960 554377371 /nfs/dbraw/zinc/37/73/71/554377371.db2.gz IPMVSCMWTBDRKB-XPWALMASSA-N 0 0 530.374 4.761 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000100414635 554379646 /nfs/dbraw/zinc/37/96/46/554379646.db2.gz OFJOQMMYCMPPEC-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000100414909 554380354 /nfs/dbraw/zinc/38/03/54/554380354.db2.gz LNDUMNMWNDUWSG-FSSWDIPSSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000100414912 554380328 /nfs/dbraw/zinc/38/03/28/554380328.db2.gz LNDUMNMWNDUWSG-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000100414978 554380276 /nfs/dbraw/zinc/38/02/76/554380276.db2.gz IEBQUBUMHBYULD-NJYVYQBISA-N 0 0 583.765 4.640 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000100414980 554380234 /nfs/dbraw/zinc/38/02/34/554380234.db2.gz IEBQUBUMHBYULD-HKBOAZHASA-N 0 0 583.765 4.640 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]32)cc1 ZINC000100415048 554380539 /nfs/dbraw/zinc/38/05/39/554380539.db2.gz LTGPGKXGUSAGQW-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]32)cc1 ZINC000100415206 554380812 /nfs/dbraw/zinc/38/08/12/554380812.db2.gz ABZJBTHHXFRTBH-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C ZINC000100416791 554384491 /nfs/dbraw/zinc/38/44/91/554384491.db2.gz NQRWURDKCRNNDO-VJBWXMMDSA-N 0 0 530.374 4.761 40 10 KJCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccccc3Br)C(=O)c3ccccc3C2=O)cc1C ZINC000100416799 554384523 /nfs/dbraw/zinc/38/45/23/554384523.db2.gz NQRWURDKCRNNDO-XPWALMASSA-N 0 0 530.374 4.761 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100434312 554392454 /nfs/dbraw/zinc/39/24/54/554392454.db2.gz QLYVJQOGLHGYQB-NJYVYQBISA-N 0 0 536.765 4.798 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)c(C)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100466699 554397769 /nfs/dbraw/zinc/39/77/69/554397769.db2.gz QDMWPZFGSSJWSC-SGNDLWITSA-N 0 0 543.959 4.520 40 10 KJCBRN COCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100483422 554402110 /nfs/dbraw/zinc/40/21/10/554402110.db2.gz YDNORLPALJDOAW-UHFFFAOYSA-N 0 0 546.690 4.631 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]32)cc1 ZINC000100497487 554404588 /nfs/dbraw/zinc/40/45/88/554404588.db2.gz XEVKEAOOTIRCCP-FDFHNCONSA-N 0 0 505.448 4.709 40 10 KJCBRN CN1c2cc([N+](=O)[O-])ccc2S/C1=C/C=c1\s/c(=C2/SC(=S)N(c3ccccc3)C2=O)n(-c2ccccc2)c1=O ZINC000100502495 554406382 /nfs/dbraw/zinc/40/63/82/554406382.db2.gz XGVNAMDXPJGFHE-MUGZHTKMSA-N 0 0 602.744 4.844 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000100512906 554408686 /nfs/dbraw/zinc/40/86/86/554408686.db2.gz ZDJRCHUAYXKXSV-NJYVYQBISA-N 0 0 510.304 4.828 40 10 KJCBRN CN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C/C=c1\s/c(=C2/SC(=S)N(N)C2=O)n(-c2ccccc2)c1=O ZINC000100545943 554413730 /nfs/dbraw/zinc/41/37/30/554413730.db2.gz BFERXDHIMVOVBS-JPDHXNRCSA-N 0 0 582.776 4.500 40 10 KJCBRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N(c4ccc(Cl)cc4)O[C@@H]3C2=O)cc1 ZINC000100561461 554418118 /nfs/dbraw/zinc/41/81/18/554418118.db2.gz ISCGDTXDYPVVLB-FSSWDIPSSA-N 0 0 529.774 4.868 40 10 KJCBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 ZINC000100561464 554417930 /nfs/dbraw/zinc/41/79/30/554417930.db2.gz ISCGDTXDYPVVLB-FKBYEOEOSA-N 0 0 529.774 4.868 40 10 KJCBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 ZINC000100561467 554418041 /nfs/dbraw/zinc/41/80/41/554418041.db2.gz ISCGDTXDYPVVLB-BDTNDASRSA-N 0 0 529.774 4.868 40 10 KJCBRN CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]32)cc1 ZINC000100562400 554418707 /nfs/dbraw/zinc/41/87/07/554418707.db2.gz CMQSKNSNHUSXBC-QNWVGRARSA-N 0 0 564.377 4.865 40 10 KJCBRN CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 ZINC000100562401 554418750 /nfs/dbraw/zinc/41/87/50/554418750.db2.gz CMQSKNSNHUSXBC-FUDKSRODSA-N 0 0 564.377 4.865 40 10 KJCBRN COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000100580073 554424767 /nfs/dbraw/zinc/42/47/67/554424767.db2.gz KPCHRNUDLYNHTL-BHIFYINESA-N 0 0 522.340 4.697 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Br)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100596694 554429963 /nfs/dbraw/zinc/42/99/63/554429963.db2.gz IVKRVKLMMFBHEO-QHAWAJNXSA-N 0 0 536.765 4.798 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Br)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100596697 554430104 /nfs/dbraw/zinc/43/01/04/554430104.db2.gz IVKRVKLMMFBHEO-HKBOAZHASA-N 0 0 536.765 4.798 40 10 KJCBRN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]32)cc1 ZINC000100681325 554447547 /nfs/dbraw/zinc/44/75/47/554447547.db2.gz WHSJPZOOLKZZRC-RJGXRXQPSA-N 0 0 519.475 4.963 40 10 KJCBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]21 ZINC000100681954 554447775 /nfs/dbraw/zinc/44/77/75/554447775.db2.gz AWOHXJAXTOIZGJ-FDFHNCONSA-N 0 0 505.448 4.709 40 10 KJCBRN Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000100695191 554450787 /nfs/dbraw/zinc/45/07/87/554450787.db2.gz NJXJKWLIBPEGAR-FSSWDIPSSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3Cl)C(=O)c3ccccc3C2=O)c1 ZINC000100695195 554450762 /nfs/dbraw/zinc/45/07/62/554450762.db2.gz NJXJKWLIBPEGAR-BHIFYINESA-N 0 0 506.341 4.997 40 10 KJCBRN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000100708000 554453101 /nfs/dbraw/zinc/45/31/01/554453101.db2.gz ZRPGTTSPJMYSLQ-RJGXRXQPSA-N 0 0 530.374 4.707 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000100741183 554463187 /nfs/dbraw/zinc/46/31/87/554463187.db2.gz RYUYFHOCUDDHFI-HKBOAZHASA-N 0 0 554.755 4.937 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccc(Cl)cc4)O[C@@H]3C2=O)cc1 ZINC000100766650 554470348 /nfs/dbraw/zinc/47/03/48/554470348.db2.gz SWBOOCXVDUTPMY-DSITVLBTSA-N 0 0 519.985 4.634 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000100766661 554470183 /nfs/dbraw/zinc/47/01/83/554470183.db2.gz SWBOOCXVDUTPMY-GVAUOCQISA-N 0 0 519.985 4.634 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000100870368 554497747 /nfs/dbraw/zinc/49/77/47/554497747.db2.gz XATACWSLWUMSHH-ASSGYOTOSA-N 0 0 529.065 4.593 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000100870369 554497752 /nfs/dbraw/zinc/49/77/52/554497752.db2.gz XATACWSLWUMSHH-OGRZUZBBSA-N 0 0 529.065 4.593 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100941600 554532826 /nfs/dbraw/zinc/53/28/26/554532826.db2.gz ICCWAKTUEASIHF-QTTRZTASSA-N 0 0 562.091 4.868 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100941604 554532810 /nfs/dbraw/zinc/53/28/10/554532810.db2.gz ICCWAKTUEASIHF-QPJBPQEWSA-N 0 0 562.091 4.868 40 10 KJCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)OCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000101000038 554552342 /nfs/dbraw/zinc/55/23/42/554552342.db2.gz GZVFKTNRZRBYSZ-FANOUHKGSA-N 0 0 585.710 4.631 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000101001473 554552567 /nfs/dbraw/zinc/55/25/67/554552567.db2.gz QMCTWARCESIKCK-NKFKGCMQSA-N 0 0 550.706 4.893 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 ZINC000101002098 554552615 /nfs/dbraw/zinc/55/26/15/554552615.db2.gz IDRUJJNEDIBYBE-QGOAFFKASA-N 0 0 519.442 4.856 40 10 KJCBRN NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)sc2c1CCCC2 ZINC000101002200 554552651 /nfs/dbraw/zinc/55/26/51/554552651.db2.gz OVOWTLUKHBNCLI-WJDWOHSUSA-N 0 0 550.525 4.718 40 10 KJCBRN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000101002374 554552637 /nfs/dbraw/zinc/55/26/37/554552637.db2.gz CHTJVOQWVYOMMS-QURGRASLSA-N 0 0 584.770 4.593 40 10 KJCBRN Cc1cccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4cccc(C)c4)C3=O)SC2=S)c1 ZINC000101002377 554552635 /nfs/dbraw/zinc/55/26/35/554552635.db2.gz PABNCVGLPRFCPW-QURGRASLSA-N 0 0 584.770 4.593 40 10 KJCBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C)cc4)C3=O)SC2=S)cc1 ZINC000101002379 554552616 /nfs/dbraw/zinc/55/26/16/554552616.db2.gz KUMYTWXBAIRGKD-QURGRASLSA-N 0 0 584.770 4.593 40 10 KJCBRN CCCCNC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NCCCC)C2=O)SC1=S ZINC000101002497 554553039 /nfs/dbraw/zinc/55/30/39/554553039.db2.gz BPFHULNWIZYZBB-QURGRASLSA-N 0 0 600.898 4.872 40 10 KJCBRN CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NC(C)(C)C)C2=O)SC1=S ZINC000101002498 554553099 /nfs/dbraw/zinc/55/30/99/554553099.db2.gz OIRSTPQFPCBRPW-FMQUCBEESA-N 0 0 600.898 4.869 40 10 KJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101002545 554553101 /nfs/dbraw/zinc/55/31/01/554553101.db2.gz HJIWJPJIXUPBFU-BOPFTXTBSA-N 0 0 524.405 4.530 40 10 KJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101002547 554553063 /nfs/dbraw/zinc/55/30/63/554553063.db2.gz PBVYCBQQQXALFG-YVLHZVERSA-N 0 0 524.405 4.530 40 10 KJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)c1 ZINC000101002677 554553128 /nfs/dbraw/zinc/55/31/28/554553128.db2.gz IWUNGIRZADCVNL-AQTBWJFISA-N 0 0 538.432 4.920 40 10 KJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)c1 ZINC000101002679 554553050 /nfs/dbraw/zinc/55/30/50/554553050.db2.gz BROIDZAGAQYFDK-PDGQHHTCSA-N 0 0 538.432 4.920 40 10 KJCBRN CC(=O)N1c2ccc(Br)cc2C(=C2SC(Nc3ccc(Br)cc3)=NC2=O)C1=O ZINC000101003689 554553591 /nfs/dbraw/zinc/55/35/91/554553591.db2.gz BYNVNRJLEFIFGN-NXVVXOECSA-N 0 0 521.190 4.557 40 10 KJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(I)c2)C1=O ZINC000101005177 554553597 /nfs/dbraw/zinc/55/35/97/554553597.db2.gz NWGUORAGMYUPJD-BOPFTXTBSA-N 0 0 524.405 4.530 40 10 KJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(I)cc2)C1=O ZINC000101005181 554553564 /nfs/dbraw/zinc/55/35/64/554553564.db2.gz SBGLGGRUZUNRRO-ATVHPVEESA-N 0 0 524.405 4.530 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1OC ZINC000101005439 554553723 /nfs/dbraw/zinc/55/37/23/554553723.db2.gz BDFUIYXPTSSSNV-MTJSOVHGSA-N 0 0 525.677 4.899 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)cc1OC ZINC000101005581 554553751 /nfs/dbraw/zinc/55/37/51/554553751.db2.gz PJBXATPRTQSMGY-UNOMPAQXSA-N 0 0 568.458 4.929 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000101005583 554553774 /nfs/dbraw/zinc/55/37/74/554553774.db2.gz KFJICLMRNNWZMO-UYRXBGFRSA-N 0 0 568.458 4.929 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1 ZINC000101005864 554553959 /nfs/dbraw/zinc/55/39/59/554553959.db2.gz RBHKSORPSXBEQV-AQTBWJFISA-N 0 0 519.442 4.856 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000101005867 554553980 /nfs/dbraw/zinc/55/39/80/554553980.db2.gz NESOVQJNOQTOSF-PDGQHHTCSA-N 0 0 519.442 4.856 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000101005871 554553968 /nfs/dbraw/zinc/55/39/68/554553968.db2.gz UFIVHQNSYKNKJS-AQTBWJFISA-N 0 0 519.442 4.856 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101005873 554553993 /nfs/dbraw/zinc/55/39/93/554553993.db2.gz ZAXQJYUVIVXEDN-PDGQHHTCSA-N 0 0 566.442 4.698 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101005876 554554003 /nfs/dbraw/zinc/55/40/03/554554003.db2.gz YWBJORNWVSQQLD-AQTBWJFISA-N 0 0 566.442 4.698 40 10 KJCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(I)c1 ZINC000101006123 554553998 /nfs/dbraw/zinc/55/39/98/554553998.db2.gz DJPYZHBPNLDAMC-ZDLGFXPLSA-N 0 0 552.415 4.640 40 10 KJCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(I)cc1 ZINC000101006126 554553954 /nfs/dbraw/zinc/55/39/54/554553954.db2.gz SVJDQINFXVOWSM-WQRHYEAKSA-N 0 0 552.415 4.640 40 10 KJCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000101006130 554554198 /nfs/dbraw/zinc/55/41/98/554554198.db2.gz QCFVBHRNELYFFM-JCMHNJIXSA-N 0 0 526.636 4.992 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC ZINC000101006858 554554573 /nfs/dbraw/zinc/55/45/73/554554573.db2.gz PARSOICMRBNQHZ-QQTULTPQSA-N 0 0 539.723 4.814 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000101006864 554554534 /nfs/dbraw/zinc/55/45/34/554554534.db2.gz CQKYDLPLOCFITM-MOHJPFBDSA-N 0 0 580.732 4.902 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000101006998 554554772 /nfs/dbraw/zinc/55/47/72/554554772.db2.gz QMDGZYDHZZNGMY-JCMHNJIXSA-N 0 0 526.636 4.992 40 10 KJCBRN Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000101007027 554554830 /nfs/dbraw/zinc/55/48/30/554554830.db2.gz VEAAPFGIINZTQZ-KQWNVCNZSA-N 0 0 564.689 4.613 40 10 KJCBRN NC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)sc2c1CCCC2 ZINC000101007040 554554833 /nfs/dbraw/zinc/55/48/33/554554833.db2.gz IEERNLQMFPWPMZ-MOSHPQCFSA-N 0 0 557.719 4.855 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000101007151 554555013 /nfs/dbraw/zinc/55/50/13/554555013.db2.gz YNQUZECJYOTMAG-GFMRDNFCSA-N 0 0 537.707 4.584 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 ZINC000101007158 554555021 /nfs/dbraw/zinc/55/50/21/554555021.db2.gz ZROQTMMUJYDHON-JXAWBTAJSA-N 0 0 532.713 4.924 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000101007161 554555024 /nfs/dbraw/zinc/55/50/24/554555024.db2.gz MJXHIPOGYLJZLE-NKFKGCMQSA-N 0 0 578.716 4.671 40 10 KJCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000101007173 554555176 /nfs/dbraw/zinc/55/51/76/554555176.db2.gz HNNWHSDMQMGACN-HKWRFOASSA-N 0 0 571.746 4.913 40 10 KJCBRN Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000101008290 554556619 /nfs/dbraw/zinc/55/66/19/554556619.db2.gz TXUGTSLIXSTQDW-HMMYKYKNSA-N 0 0 527.071 4.758 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCC)cc4)C3=O)SC2=S)cc1 ZINC000101016973 554560624 /nfs/dbraw/zinc/56/06/24/554560624.db2.gz AKDDOKWQFXHCRR-ISLYRVAYSA-N 0 0 558.684 4.681 40 10 KJCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCC)c4)C3=O)SC2=S)c1 ZINC000101017006 554560867 /nfs/dbraw/zinc/56/08/67/554560867.db2.gz WVWAODAGRPGBLR-ISLYRVAYSA-N 0 0 558.684 4.681 40 10 KJCBRN CCOC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OCC)cc4)C3=O)SC2=S)cc1 ZINC000101017043 554560863 /nfs/dbraw/zinc/56/08/63/554560863.db2.gz SYHCHRQCICGJSX-QURGRASLSA-N 0 0 586.738 4.539 40 10 KJCBRN CCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4O)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101029060 554564600 /nfs/dbraw/zinc/56/46/00/554564600.db2.gz JOIKJQPYKCXRGS-ZNZIZOMTSA-N 0 0 517.538 4.921 40 10 KJCBRN CCCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000101029062 554564657 /nfs/dbraw/zinc/56/46/57/554564657.db2.gz JOIKJQPYKCXRGS-CYXNTTPDSA-N 0 0 517.538 4.921 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000101093669 554583526 /nfs/dbraw/zinc/58/35/26/554583526.db2.gz LKZJGFRBMHWSSG-VXLYETTFSA-N 0 0 521.458 4.923 40 10 KJCBRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)C1=O)CCCC2 ZINC000101125727 554645192 /nfs/dbraw/zinc/64/51/92/554645192.db2.gz SCUKSXPNAKBVMB-SDHSZQHLSA-N 0 0 531.634 4.531 40 10 KJCBRN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@@H]3C1=O)CCCC2 ZINC000101125731 554645156 /nfs/dbraw/zinc/64/51/56/554645156.db2.gz SCUKSXPNAKBVMB-DSITVLBTSA-N 0 0 531.634 4.531 40 10 KJCBRN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101130724 554650016 /nfs/dbraw/zinc/65/00/16/554650016.db2.gz LUDNBEDYZWKYCU-QKDODKLFSA-N 0 0 508.534 4.865 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000101133307 554650660 /nfs/dbraw/zinc/65/06/60/554650660.db2.gz BADACNGLHQXBIU-YPAWHYETSA-N 0 0 506.341 4.997 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101133389 554650987 /nfs/dbraw/zinc/65/09/87/554650987.db2.gz SNRIIZHGTUHORD-NJDAHSKKSA-N 0 0 536.765 4.798 40 10 KJCBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000101142654 554654587 /nfs/dbraw/zinc/65/45/87/554654587.db2.gz VGNSGUPPRNPODM-KCZVDYSFSA-N 0 0 506.341 4.997 40 10 KJCBRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000101142663 554654568 /nfs/dbraw/zinc/65/45/68/554654568.db2.gz JCLMWYCLVUYTFW-KCZVDYSFSA-N 0 0 522.340 4.697 40 10 KJCBRN COc1cccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000101142669 554654599 /nfs/dbraw/zinc/65/45/99/554654599.db2.gz JUQYVWPODHWDKS-KCZVDYSFSA-N 0 0 522.340 4.697 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000101142690 554654603 /nfs/dbraw/zinc/65/46/03/554654603.db2.gz OFJOQMMYCMPPEC-BHDDXSALSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 ZINC000101153130 554657847 /nfs/dbraw/zinc/65/78/47/554657847.db2.gz JQOOUOQBZHOQPB-BHDDXSALSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 ZINC000101156886 554658832 /nfs/dbraw/zinc/65/88/32/554658832.db2.gz NTSJIRBXMCCEEV-TUNNFDKTSA-N 0 0 506.341 4.997 40 10 KJCBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000101170691 554661698 /nfs/dbraw/zinc/66/16/98/554661698.db2.gz WJWWTLYHMHXMSD-GSDHBNRESA-N 0 0 516.554 4.501 40 10 KJCBRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000101170694 554661769 /nfs/dbraw/zinc/66/17/69/554661769.db2.gz WJWWTLYHMHXMSD-CYXNTTPDSA-N 0 0 516.554 4.501 40 10 KJCBRN 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538.261 4.698 40 10 KJCBRN Cc1cccc(COc2c(Br)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Br)c1 ZINC000103856173 571366143 /nfs/dbraw/zinc/36/61/43/571366143.db2.gz NARRWDGLCCFXCF-UHFFFAOYSA-N 0 0 538.261 4.698 40 10 KJCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856250 571366099 /nfs/dbraw/zinc/36/60/99/571366099.db2.gz MIOCHYSOUFVXNB-UHFFFAOYSA-N 0 0 605.679 4.885 40 10 KJCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)C(=O)N(C)C1=S ZINC000103856306 571366123 /nfs/dbraw/zinc/36/61/23/571366123.db2.gz TWHSBPCKPNTHCN-UHFFFAOYSA-N 0 0 605.679 4.885 40 10 KJCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N(C)C1=S ZINC000103856310 571366106 /nfs/dbraw/zinc/36/61/06/571366106.db2.gz QERVDXWFESWLCC-UHFFFAOYSA-N 0 0 605.679 4.885 40 10 KJCBRN Cc1ccc(COc2c(Br)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)cc1 ZINC000103856327 571366206 /nfs/dbraw/zinc/36/62/06/571366206.db2.gz VLHARLVUNYOTMO-UHFFFAOYSA-N 0 0 585.261 4.540 40 10 KJCBRN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000111494349 571433394 /nfs/dbraw/zinc/43/33/94/571433394.db2.gz USQIFPQBYOYCMU-ASZNLBCTSA-N 0 0 586.670 4.513 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000112253533 571436678 /nfs/dbraw/zinc/43/66/78/571436678.db2.gz DLSMHNUGBDSBCK-UHFFFAOYSA-N 0 0 556.128 4.814 40 10 KJCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)c(F)c3)CC2)cc1 ZINC000113512289 571439558 /nfs/dbraw/zinc/43/95/58/571439558.db2.gz FAKGZFVVOAOQJD-UHFFFAOYSA-N 0 0 538.428 4.904 40 10 KJCBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113624013 571441250 /nfs/dbraw/zinc/44/12/50/571441250.db2.gz HQFUVEBYQPCZLN-UHFFFAOYSA-N 0 0 571.699 4.857 40 10 KJCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(Br)c2)cc1 ZINC000113624025 571441270 /nfs/dbraw/zinc/44/12/70/571441270.db2.gz PVNWUYRYUGALPO-UHFFFAOYSA-N 0 0 542.499 4.869 40 10 KJCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Br)cc2)cc1 ZINC000113624182 571441261 /nfs/dbraw/zinc/44/12/61/571441261.db2.gz DJYHSRFGPIHKQO-UHFFFAOYSA-N 0 0 542.499 4.869 40 10 KJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000113624317 571441320 /nfs/dbraw/zinc/44/13/20/571441320.db2.gz NWUJKFZCCRCVNE-UHFFFAOYSA-N 0 0 541.673 4.849 40 10 KJCBRN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000113624603 571441283 /nfs/dbraw/zinc/44/12/83/571441283.db2.gz MJCQJLOFARZLOA-UHFFFAOYSA-N 0 0 568.017 4.707 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000113624895 571441395 /nfs/dbraw/zinc/44/13/95/571441395.db2.gz ZTDVRCPDXFNZMM-UHFFFAOYSA-N 0 0 558.100 4.859 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000113625362 571441417 /nfs/dbraw/zinc/44/14/17/571441417.db2.gz CJRJTNBIGIBKBX-UHFFFAOYSA-N 0 0 539.723 4.919 40 10 KJCBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000113625820 571441535 /nfs/dbraw/zinc/44/15/35/571441535.db2.gz NYEYJNJYAUBUMW-UHFFFAOYSA-N 0 0 548.492 4.726 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000113633016 571441918 /nfs/dbraw/zinc/44/19/18/571441918.db2.gz JYHZGVAAEPRROR-UHFFFAOYSA-N 0 0 588.126 4.868 40 10 KJCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000113633208 571441961 /nfs/dbraw/zinc/44/19/61/571441961.db2.gz QFUVAEQPBASPGJ-UHFFFAOYSA-N 0 0 551.709 4.823 40 10 KJCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000113634991 571442073 /nfs/dbraw/zinc/44/20/73/571442073.db2.gz UTCBUVXCCLTOGL-UHFFFAOYSA-N 0 0 537.682 4.514 40 10 KJCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000113634993 571442103 /nfs/dbraw/zinc/44/21/03/571442103.db2.gz DOZGFKQURHXRQS-UHFFFAOYSA-N 0 0 537.682 4.514 40 10 KJCBRN 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558.615 4.786 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113833261 571442622 /nfs/dbraw/zinc/44/26/22/571442622.db2.gz VRGPQTJUQLJFJI-XSFVSMFZSA-N 0 0 534.637 4.905 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113833311 571442659 /nfs/dbraw/zinc/44/26/59/571442659.db2.gz NCYGYNZRKSKOQG-UDWIEESQSA-N 0 0 546.579 4.916 40 10 KJCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000113837861 571442816 /nfs/dbraw/zinc/44/28/16/571442816.db2.gz WDBXKECGQMOEIS-UHFFFAOYSA-N 0 0 528.186 4.777 40 10 KJCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000113838502 571442836 /nfs/dbraw/zinc/44/28/36/571442836.db2.gz YJGXLVDEIWBBEM-UHFFFAOYSA-N 0 0 530.602 4.776 40 10 KJCBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000137470636 571450325 /nfs/dbraw/zinc/45/03/25/571450325.db2.gz WHVLQESUSBYHKI-ZVHZXABRSA-N 0 0 509.547 4.960 40 10 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Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000169680813 571556998 /nfs/dbraw/zinc/55/69/98/571556998.db2.gz ABZJBTHHXFRTBH-YPAWHYETSA-N 0 0 506.341 4.997 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000169680821 571556963 /nfs/dbraw/zinc/55/69/63/571556963.db2.gz SNRIIZHGTUHORD-NJYVYQBISA-N 0 0 536.765 4.798 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 ZINC000169682884 571557923 /nfs/dbraw/zinc/55/79/23/571557923.db2.gz LTGPGKXGUSAGQW-YPAWHYETSA-N 0 0 506.341 4.997 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]23)cc1 ZINC000169684159 571558282 /nfs/dbraw/zinc/55/82/82/571558282.db2.gz JJFVBYQYOZEZDB-YPAWHYETSA-N 0 0 505.448 4.709 40 10 KJCBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 ZINC000195528695 571563269 /nfs/dbraw/zinc/56/32/69/571563269.db2.gz AWOHXJAXTOIZGJ-YPAWHYETSA-N 0 0 505.448 4.709 40 10 KJCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]23)cc1 ZINC000195528697 571563282 /nfs/dbraw/zinc/56/32/82/571563282.db2.gz XEVKEAOOTIRCCP-YPAWHYETSA-N 0 0 505.448 4.709 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)c(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000198064804 1066487881 /nfs/dbraw/zinc/48/78/81/1066487881.db2.gz PTAUOPHUMJIBCD-VABKMULXSA-N 0 0 564.377 4.865 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)c(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000198064818 1066488083 /nfs/dbraw/zinc/48/80/83/1066488083.db2.gz PTAUOPHUMJIBCD-RJGXRXQPSA-N 0 0 564.377 4.865 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000205792517 571571318 /nfs/dbraw/zinc/57/13/18/571571318.db2.gz OCJKMFQWOQCTEF-DEDYPNTBSA-N 0 0 502.434 4.905 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000205803515 571571474 /nfs/dbraw/zinc/57/14/74/571571474.db2.gz JTRSSBJLSOCHSY-MFKUBSTISA-N 0 0 595.678 4.507 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000205805577 571571421 /nfs/dbraw/zinc/57/14/21/571571421.db2.gz KPTKCOMVQAIONT-DEDYPNTBSA-N 0 0 549.434 4.748 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000205909272 571572029 /nfs/dbraw/zinc/57/20/29/571572029.db2.gz OGDBDACZQCQTLE-UDWIEESQSA-N 0 0 502.434 4.824 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OC ZINC000206907659 571573056 /nfs/dbraw/zinc/57/30/56/571573056.db2.gz XBFCQZBXGLBORQ-OQLLNIDSSA-N 0 0 513.822 4.666 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1O ZINC000206908912 571573088 /nfs/dbraw/zinc/57/30/88/571573088.db2.gz OSONOCZCLUFUJT-OQLLNIDSSA-N 0 0 513.822 4.753 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000208353817 571573767 /nfs/dbraw/zinc/57/37/67/571573767.db2.gz LRQCYSUNVKKGCI-USDTVRPUSA-N 0 0 589.689 4.752 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000208353865 571573843 /nfs/dbraw/zinc/57/38/43/571573843.db2.gz LRQCYSUNVKKGCI-PKYOQBLNSA-N 0 0 589.689 4.752 40 10 KJCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Br)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000217403289 1066506378 /nfs/dbraw/zinc/50/63/78/1066506378.db2.gz IVKRVKLMMFBHEO-NJYVYQBISA-N 0 0 536.765 4.798 40 10 KJCBRN Cn1cc(/C=C2/c3ccc(Cl)cc3N(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)c2ccccc21 ZINC000217528193 1066506387 /nfs/dbraw/zinc/50/63/87/1066506387.db2.gz NPMRRGOIGHIZJN-UAIPYOAWSA-N 0 0 511.025 4.957 40 10 KJCBRN CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000220105129 571604053 /nfs/dbraw/zinc/60/40/53/571604053.db2.gz RAGOYPUPXAKGKH-DCLTZVOKSA-N 0 0 700.791 4.573 40 10 KJCBRN CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 ZINC000222446699 571361209 /nfs/dbraw/zinc/36/12/09/571361209.db2.gz CMQSKNSNHUSXBC-XPNTWCBSSA-N 0 0 564.377 4.865 40 10 KJCBRN CCOc1ccccc1N(Cc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1)S(C)(=O)=O ZINC000222795463 571398757 /nfs/dbraw/zinc/39/87/57/571398757.db2.gz YOZHHXBLJACXIZ-UHFFFAOYSA-N 0 0 509.672 4.828 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127257 571434210 /nfs/dbraw/zinc/43/42/10/571434210.db2.gz URUWIBJSQYLKQQ-JWQCQUIFSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127317 571434184 /nfs/dbraw/zinc/43/41/84/571434184.db2.gz URUWIBJSQYLKQQ-RPBOFIJWSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127379 571434377 /nfs/dbraw/zinc/43/43/77/571434377.db2.gz URUWIBJSQYLKQQ-LOSJGSFVSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127433 571434341 /nfs/dbraw/zinc/43/43/41/571434341.db2.gz URUWIBJSQYLKQQ-DQEYMECFSA-N 0 0 529.632 4.813 40 10 KJCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 ZINC000223128900 571434403 /nfs/dbraw/zinc/43/44/03/571434403.db2.gz RWPWWBMZYSPQQL-JWQCQUIFSA-N 0 0 512.123 4.671 40 10 KJCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)cc2)C1 ZINC000223136086 571435034 /nfs/dbraw/zinc/43/50/34/571435034.db2.gz WITYMVDNXFCVKE-CQSZACIVSA-N 0 0 540.498 4.812 40 10 KJCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)cc2)C1 ZINC000223136149 571435028 /nfs/dbraw/zinc/43/50/28/571435028.db2.gz WITYMVDNXFCVKE-AWEZNQCLSA-N 0 0 540.498 4.812 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137277 571435099 /nfs/dbraw/zinc/43/50/99/571435099.db2.gz YBOHEXNJIYLRHY-FQLXRVMXSA-N 0 0 511.695 4.947 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137346 571435122 /nfs/dbraw/zinc/43/51/22/571435122.db2.gz YBOHEXNJIYLRHY-WDYNHAJCSA-N 0 0 511.695 4.947 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137408 571435116 /nfs/dbraw/zinc/43/51/16/571435116.db2.gz YBOHEXNJIYLRHY-URLMMPGGSA-N 0 0 511.695 4.947 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137465 571435136 /nfs/dbraw/zinc/43/51/36/571435136.db2.gz YBOHEXNJIYLRHY-VMPREFPWSA-N 0 0 511.695 4.947 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139096 571435313 /nfs/dbraw/zinc/43/53/13/571435313.db2.gz ITWMGWSOAQDEKI-JWQCQUIFSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139145 571435355 /nfs/dbraw/zinc/43/53/55/571435355.db2.gz ITWMGWSOAQDEKI-RPBOFIJWSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139200 571435311 /nfs/dbraw/zinc/43/53/11/571435311.db2.gz ITWMGWSOAQDEKI-LOSJGSFVSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139255 571435332 /nfs/dbraw/zinc/43/53/32/571435332.db2.gz ITWMGWSOAQDEKI-DQEYMECFSA-N 0 0 529.632 4.813 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141334 571435519 /nfs/dbraw/zinc/43/55/19/571435519.db2.gz CMLORQJUOICXTJ-JWQCQUIFSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141394 571435515 /nfs/dbraw/zinc/43/55/15/571435515.db2.gz CMLORQJUOICXTJ-RPBOFIJWSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141450 571435573 /nfs/dbraw/zinc/43/55/73/571435573.db2.gz CMLORQJUOICXTJ-LOSJGSFVSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141510 571435521 /nfs/dbraw/zinc/43/55/21/571435521.db2.gz CMLORQJUOICXTJ-DQEYMECFSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141587 571435554 /nfs/dbraw/zinc/43/55/54/571435554.db2.gz VJMRUYMHDKRXPS-JWQCQUIFSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141657 571435556 /nfs/dbraw/zinc/43/55/56/571435556.db2.gz VJMRUYMHDKRXPS-RPBOFIJWSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141712 571435535 /nfs/dbraw/zinc/43/55/35/571435535.db2.gz VJMRUYMHDKRXPS-LOSJGSFVSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141773 571435544 /nfs/dbraw/zinc/43/55/44/571435544.db2.gz VJMRUYMHDKRXPS-DQEYMECFSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141852 571435568 /nfs/dbraw/zinc/43/55/68/571435568.db2.gz IHBVRJBSLIMZSN-JWQCQUIFSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141906 571435529 /nfs/dbraw/zinc/43/55/29/571435529.db2.gz IHBVRJBSLIMZSN-RPBOFIJWSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141945 571435558 /nfs/dbraw/zinc/43/55/58/571435558.db2.gz IHBVRJBSLIMZSN-LOSJGSFVSA-N 0 0 540.531 4.556 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141995 571435664 /nfs/dbraw/zinc/43/56/64/571435664.db2.gz IHBVRJBSLIMZSN-DQEYMECFSA-N 0 0 540.531 4.556 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 ZINC000223144155 571435911 /nfs/dbraw/zinc/43/59/11/571435911.db2.gz QCMJXVBVLQSXDG-FQLXRVMXSA-N 0 0 532.758 4.640 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 ZINC000223144215 571435957 /nfs/dbraw/zinc/43/59/57/571435957.db2.gz QCMJXVBVLQSXDG-WDYNHAJCSA-N 0 0 532.758 4.640 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 ZINC000223144266 571435930 /nfs/dbraw/zinc/43/59/30/571435930.db2.gz QCMJXVBVLQSXDG-URLMMPGGSA-N 0 0 532.758 4.640 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 ZINC000223144337 571435864 /nfs/dbraw/zinc/43/58/64/571435864.db2.gz QCMJXVBVLQSXDG-VMPREFPWSA-N 0 0 532.758 4.640 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146289 571436303 /nfs/dbraw/zinc/43/63/03/571436303.db2.gz WDXAIWGPUOWEAD-IXCJQBJRSA-N 0 0 503.716 4.719 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146353 571436267 /nfs/dbraw/zinc/43/62/67/571436267.db2.gz WDXAIWGPUOWEAD-IAPPQJPRSA-N 0 0 503.716 4.719 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146426 571436296 /nfs/dbraw/zinc/43/62/96/571436296.db2.gz WDXAIWGPUOWEAD-XTEPFMGCSA-N 0 0 503.716 4.719 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146484 571436285 /nfs/dbraw/zinc/43/62/85/571436285.db2.gz WDXAIWGPUOWEAD-XCZPVHLTSA-N 0 0 503.716 4.719 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146566 571436271 /nfs/dbraw/zinc/43/62/71/571436271.db2.gz ITVDJCOJTDYNBB-CLJLJLNGSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146628 571436299 /nfs/dbraw/zinc/43/62/99/571436299.db2.gz ITVDJCOJTDYNBB-FTJBHMTQSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146689 571436333 /nfs/dbraw/zinc/43/63/33/571436333.db2.gz ITVDJCOJTDYNBB-IZZNHLLZSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146744 571436374 /nfs/dbraw/zinc/43/63/74/571436374.db2.gz ITVDJCOJTDYNBB-UIOOFZCWSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147335 571436360 /nfs/dbraw/zinc/43/63/60/571436360.db2.gz UZPJXBABFKJDMH-CLJLJLNGSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147371 571436520 /nfs/dbraw/zinc/43/65/20/571436520.db2.gz UZPJXBABFKJDMH-FTJBHMTQSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147435 571436427 /nfs/dbraw/zinc/43/64/27/571436427.db2.gz UZPJXBABFKJDMH-IZZNHLLZSA-N 0 0 510.107 4.756 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147491 571436509 /nfs/dbraw/zinc/43/65/09/571436509.db2.gz UZPJXBABFKJDMH-UIOOFZCWSA-N 0 0 510.107 4.756 40 10 KJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223148337 571436550 /nfs/dbraw/zinc/43/65/50/571436550.db2.gz OUYRKALMDCCDGZ-IXCJQBJRSA-N 0 0 503.716 4.665 40 10 KJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223148385 571436602 /nfs/dbraw/zinc/43/66/02/571436602.db2.gz OUYRKALMDCCDGZ-IAPPQJPRSA-N 0 0 503.716 4.665 40 10 KJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223148444 571436649 /nfs/dbraw/zinc/43/66/49/571436649.db2.gz OUYRKALMDCCDGZ-XTEPFMGCSA-N 0 0 503.716 4.665 40 10 KJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223148503 571436580 /nfs/dbraw/zinc/43/65/80/571436580.db2.gz OUYRKALMDCCDGZ-XCZPVHLTSA-N 0 0 503.716 4.665 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000223159740 571438432 /nfs/dbraw/zinc/43/84/32/571438432.db2.gz QMDPMQBAJZEPRB-UHFFFAOYSA-N 0 0 512.503 4.698 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176093 571441086 /nfs/dbraw/zinc/44/10/86/571441086.db2.gz FVYQIWQMNNJNFG-CLJLJLNGSA-N 0 0 526.106 4.543 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176151 571441045 /nfs/dbraw/zinc/44/10/45/571441045.db2.gz FVYQIWQMNNJNFG-FTJBHMTQSA-N 0 0 526.106 4.543 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176205 571441078 /nfs/dbraw/zinc/44/10/78/571441078.db2.gz FVYQIWQMNNJNFG-IZZNHLLZSA-N 0 0 526.106 4.543 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176269 571441203 /nfs/dbraw/zinc/44/12/03/571441203.db2.gz FVYQIWQMNNJNFG-UIOOFZCWSA-N 0 0 526.106 4.543 40 10 KJCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223182699 571441796 /nfs/dbraw/zinc/44/17/96/571441796.db2.gz OZCRWIRMLUJXEO-VSGBNLITSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223182753 571441772 /nfs/dbraw/zinc/44/17/72/571441772.db2.gz OZCRWIRMLUJXEO-IZLXSDGUSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223182803 571441799 /nfs/dbraw/zinc/44/17/99/571441799.db2.gz OZCRWIRMLUJXEO-WUFINQPMSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223182869 571441818 /nfs/dbraw/zinc/44/18/18/571441818.db2.gz OZCRWIRMLUJXEO-NSOVKSMOSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223182948 571441770 /nfs/dbraw/zinc/44/17/70/571441770.db2.gz TYNTXBLSVQDRCR-VSGBNLITSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223183009 571441829 /nfs/dbraw/zinc/44/18/29/571441829.db2.gz TYNTXBLSVQDRCR-IZLXSDGUSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223183076 571441823 /nfs/dbraw/zinc/44/18/23/571441823.db2.gz TYNTXBLSVQDRCR-WUFINQPMSA-N 0 0 503.716 4.746 40 10 KJCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223183142 571441814 /nfs/dbraw/zinc/44/18/14/571441814.db2.gz TYNTXBLSVQDRCR-NSOVKSMOSA-N 0 0 503.716 4.746 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223183992 571441895 /nfs/dbraw/zinc/44/18/95/571441895.db2.gz QIQZEKCLKNLPAP-CLJLJLNGSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184044 571441909 /nfs/dbraw/zinc/44/19/09/571441909.db2.gz QIQZEKCLKNLPAP-FTJBHMTQSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184097 571441916 /nfs/dbraw/zinc/44/19/16/571441916.db2.gz QIQZEKCLKNLPAP-IZZNHLLZSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184149 571441906 /nfs/dbraw/zinc/44/19/06/571441906.db2.gz QIQZEKCLKNLPAP-UIOOFZCWSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184224 571442025 /nfs/dbraw/zinc/44/20/25/571442025.db2.gz VINOYXYDUYXFEW-CLJLJLNGSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184280 571442095 /nfs/dbraw/zinc/44/20/95/571442095.db2.gz VINOYXYDUYXFEW-FTJBHMTQSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184336 571441999 /nfs/dbraw/zinc/44/19/99/571441999.db2.gz VINOYXYDUYXFEW-IZZNHLLZSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184389 571442106 /nfs/dbraw/zinc/44/21/06/571442106.db2.gz VINOYXYDUYXFEW-UIOOFZCWSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184472 571442046 /nfs/dbraw/zinc/44/20/46/571442046.db2.gz COAOBLMFGCOKHI-CLJLJLNGSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184527 571442031 /nfs/dbraw/zinc/44/20/31/571442031.db2.gz COAOBLMFGCOKHI-FTJBHMTQSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184581 571442009 /nfs/dbraw/zinc/44/20/09/571442009.db2.gz COAOBLMFGCOKHI-IZZNHLLZSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184629 571442072 /nfs/dbraw/zinc/44/20/72/571442072.db2.gz COAOBLMFGCOKHI-UIOOFZCWSA-N 0 0 510.107 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184707 571442065 /nfs/dbraw/zinc/44/20/65/571442065.db2.gz SVGRSDRRVYGCKK-CLJLJLNGSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184766 571442042 /nfs/dbraw/zinc/44/20/42/571442042.db2.gz SVGRSDRRVYGCKK-FTJBHMTQSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184832 571442077 /nfs/dbraw/zinc/44/20/77/571442077.db2.gz SVGRSDRRVYGCKK-IZZNHLLZSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184894 571442034 /nfs/dbraw/zinc/44/20/34/571442034.db2.gz SVGRSDRRVYGCKK-UIOOFZCWSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223184981 571441995 /nfs/dbraw/zinc/44/19/95/571441995.db2.gz CVKPBGNCGIAXSP-CLJLJLNGSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185031 571442121 /nfs/dbraw/zinc/44/21/21/571442121.db2.gz CVKPBGNCGIAXSP-FTJBHMTQSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185086 571442168 /nfs/dbraw/zinc/44/21/68/571442168.db2.gz CVKPBGNCGIAXSP-IZZNHLLZSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185146 571442146 /nfs/dbraw/zinc/44/21/46/571442146.db2.gz CVKPBGNCGIAXSP-UIOOFZCWSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185237 571442155 /nfs/dbraw/zinc/44/21/55/571442155.db2.gz JNSDNJZETFUQBB-CLJLJLNGSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185290 571442129 /nfs/dbraw/zinc/44/21/29/571442129.db2.gz JNSDNJZETFUQBB-FTJBHMTQSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185343 571442116 /nfs/dbraw/zinc/44/21/16/571442116.db2.gz JNSDNJZETFUQBB-IZZNHLLZSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185398 571442183 /nfs/dbraw/zinc/44/21/83/571442183.db2.gz JNSDNJZETFUQBB-UIOOFZCWSA-N 0 0 554.558 4.946 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188206 571442640 /nfs/dbraw/zinc/44/26/40/571442640.db2.gz OVGROXLZIQAZDW-VSGBNLITSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188266 571442643 /nfs/dbraw/zinc/44/26/43/571442643.db2.gz OVGROXLZIQAZDW-IZLXSDGUSA-N 0 0 503.716 4.801 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223188298 571442798 /nfs/dbraw/zinc/44/27/98/571442798.db2.gz KBZWOYWYJYFLFU-UHFFFAOYSA-N 0 0 504.027 4.837 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188319 571442696 /nfs/dbraw/zinc/44/26/96/571442696.db2.gz OVGROXLZIQAZDW-WUFINQPMSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188378 571442692 /nfs/dbraw/zinc/44/26/92/571442692.db2.gz OVGROXLZIQAZDW-NSOVKSMOSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188453 571442793 /nfs/dbraw/zinc/44/27/93/571442793.db2.gz ACGMIWKFIRJZFC-VSGBNLITSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188511 571442755 /nfs/dbraw/zinc/44/27/55/571442755.db2.gz ACGMIWKFIRJZFC-IZLXSDGUSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188562 571442698 /nfs/dbraw/zinc/44/26/98/571442698.db2.gz ACGMIWKFIRJZFC-WUFINQPMSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188626 571442725 /nfs/dbraw/zinc/44/27/25/571442725.db2.gz ACGMIWKFIRJZFC-NSOVKSMOSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188706 571442714 /nfs/dbraw/zinc/44/27/14/571442714.db2.gz QYRPTELKTZAJCM-IXCJQBJRSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188760 571442764 /nfs/dbraw/zinc/44/27/64/571442764.db2.gz QYRPTELKTZAJCM-IAPPQJPRSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188813 571442801 /nfs/dbraw/zinc/44/28/01/571442801.db2.gz QYRPTELKTZAJCM-XTEPFMGCSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188866 571442760 /nfs/dbraw/zinc/44/27/60/571442760.db2.gz QYRPTELKTZAJCM-XCZPVHLTSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223188938 571442782 /nfs/dbraw/zinc/44/27/82/571442782.db2.gz JQZSFBPCDWDSTJ-VSGBNLITSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223188990 571442770 /nfs/dbraw/zinc/44/27/70/571442770.db2.gz JQZSFBPCDWDSTJ-IZLXSDGUSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223189069 571442875 /nfs/dbraw/zinc/44/28/75/571442875.db2.gz JQZSFBPCDWDSTJ-WUFINQPMSA-N 0 0 503.716 4.801 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223189130 571442819 /nfs/dbraw/zinc/44/28/19/571442819.db2.gz JQZSFBPCDWDSTJ-NSOVKSMOSA-N 0 0 503.716 4.801 40 10 KJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223190968 571443087 /nfs/dbraw/zinc/44/30/87/571443087.db2.gz FDBPEJIKYJSIQL-KAYWLYCHSA-N 0 0 540.133 4.846 40 10 KJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191030 571443114 /nfs/dbraw/zinc/44/31/14/571443114.db2.gz FDBPEJIKYJSIQL-SXOMAYOGSA-N 0 0 540.133 4.846 40 10 KJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191088 571443041 /nfs/dbraw/zinc/44/30/41/571443041.db2.gz FDBPEJIKYJSIQL-RRPNLBNLSA-N 0 0 540.133 4.846 40 10 KJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191158 571443103 /nfs/dbraw/zinc/44/31/03/571443103.db2.gz FDBPEJIKYJSIQL-SVBPBHIXSA-N 0 0 540.133 4.846 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223292412 571456081 /nfs/dbraw/zinc/45/60/81/571456081.db2.gz KMCFTAGKLGPIRL-UHFFFAOYSA-N 0 0 516.063 4.707 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223314061 571459443 /nfs/dbraw/zinc/45/94/43/571459443.db2.gz KMVLBIXARHLRLT-QTLGCAHFSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223314110 571459342 /nfs/dbraw/zinc/45/93/42/571459342.db2.gz KMVLBIXARHLRLT-OWAUWMPXSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223314150 571459352 /nfs/dbraw/zinc/45/93/52/571459352.db2.gz KMVLBIXARHLRLT-PNTFMKQHSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223314202 571459445 /nfs/dbraw/zinc/45/94/45/571459445.db2.gz KMVLBIXARHLRLT-LQGLAIQGSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000223314265 571459442 /nfs/dbraw/zinc/45/94/42/571459442.db2.gz QPYAQVSEGGCOJE-QTLGCAHFSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000223314321 571459503 /nfs/dbraw/zinc/45/95/03/571459503.db2.gz QPYAQVSEGGCOJE-OWAUWMPXSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000223314358 571459467 /nfs/dbraw/zinc/45/94/67/571459467.db2.gz QPYAQVSEGGCOJE-PNTFMKQHSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000223314410 571459486 /nfs/dbraw/zinc/45/94/86/571459486.db2.gz QPYAQVSEGGCOJE-LQGLAIQGSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223315105 571459479 /nfs/dbraw/zinc/45/94/79/571459479.db2.gz IAZMVJXHNSTAQH-QTLGCAHFSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223315161 571459488 /nfs/dbraw/zinc/45/94/88/571459488.db2.gz IAZMVJXHNSTAQH-OWAUWMPXSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223315198 571459520 /nfs/dbraw/zinc/45/95/20/571459520.db2.gz IAZMVJXHNSTAQH-PNTFMKQHSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223315246 571459470 /nfs/dbraw/zinc/45/94/70/571459470.db2.gz IAZMVJXHNSTAQH-LQGLAIQGSA-N 0 0 507.616 4.557 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223449684 1066512831 /nfs/dbraw/zinc/51/28/31/1066512831.db2.gz FJZOQKCBBIEMHX-FQLXRVMXSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223449731 1066512815 /nfs/dbraw/zinc/51/28/15/1066512815.db2.gz FJZOQKCBBIEMHX-WDYNHAJCSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223449774 1066512801 /nfs/dbraw/zinc/51/28/01/1066512801.db2.gz FJZOQKCBBIEMHX-URLMMPGGSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223449826 1066512927 /nfs/dbraw/zinc/51/29/27/1066512927.db2.gz FJZOQKCBBIEMHX-VMPREFPWSA-N 0 0 524.694 4.893 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223466254 571481253 /nfs/dbraw/zinc/48/12/53/571481253.db2.gz RQLPMPKBVHSDTI-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223466320 571481462 /nfs/dbraw/zinc/48/14/62/571481462.db2.gz RQLPMPKBVHSDTI-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223466369 571481445 /nfs/dbraw/zinc/48/14/45/571481445.db2.gz RQLPMPKBVHSDTI-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223466422 571481431 /nfs/dbraw/zinc/48/14/31/571481431.db2.gz RQLPMPKBVHSDTI-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 ZINC000223466488 571481424 /nfs/dbraw/zinc/48/14/24/571481424.db2.gz DMHDDZOILZOJOY-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 ZINC000223466547 571481450 /nfs/dbraw/zinc/48/14/50/571481450.db2.gz DMHDDZOILZOJOY-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 ZINC000223466616 571481441 /nfs/dbraw/zinc/48/14/41/571481441.db2.gz DMHDDZOILZOJOY-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 ZINC000223466658 571481408 /nfs/dbraw/zinc/48/14/08/571481408.db2.gz DMHDDZOILZOJOY-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467425 571481589 /nfs/dbraw/zinc/48/15/89/571481589.db2.gz TXEGXAXASIKPDB-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467477 571481552 /nfs/dbraw/zinc/48/15/52/571481552.db2.gz TXEGXAXASIKPDB-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467533 571481611 /nfs/dbraw/zinc/48/16/11/571481611.db2.gz TXEGXAXASIKPDB-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467584 571481604 /nfs/dbraw/zinc/48/16/04/571481604.db2.gz TXEGXAXASIKPDB-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223485155 571485082 /nfs/dbraw/zinc/48/50/82/571485082.db2.gz GYNQXGOVJBGXRD-FQLXRVMXSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223485217 571485015 /nfs/dbraw/zinc/48/50/15/571485015.db2.gz GYNQXGOVJBGXRD-WDYNHAJCSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223485261 571485071 /nfs/dbraw/zinc/48/50/71/571485071.db2.gz GYNQXGOVJBGXRD-URLMMPGGSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223485317 571485010 /nfs/dbraw/zinc/48/50/10/571485010.db2.gz GYNQXGOVJBGXRD-VMPREFPWSA-N 0 0 524.694 4.893 40 10 KJCBRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000223497249 571487047 /nfs/dbraw/zinc/48/70/47/571487047.db2.gz HTWBJNKFSHJZCJ-BZSPEZQHSA-N 0 0 503.599 4.935 40 10 KJCBRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000223497309 571487145 /nfs/dbraw/zinc/48/71/45/571487145.db2.gz HTWBJNKFSHJZCJ-TTWQBBKJSA-N 0 0 503.599 4.935 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223502478 571488096 /nfs/dbraw/zinc/48/80/96/571488096.db2.gz GLJXXOIQBLKGFI-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223502541 571488157 /nfs/dbraw/zinc/48/81/57/571488157.db2.gz GLJXXOIQBLKGFI-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223502605 571488188 /nfs/dbraw/zinc/48/81/88/571488188.db2.gz GLJXXOIQBLKGFI-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223502664 571488074 /nfs/dbraw/zinc/48/80/74/571488074.db2.gz GLJXXOIQBLKGFI-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 ZINC000223502755 571488264 /nfs/dbraw/zinc/48/82/64/571488264.db2.gz REURIPXURXEMRD-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 ZINC000223502812 571488345 /nfs/dbraw/zinc/48/83/45/571488345.db2.gz REURIPXURXEMRD-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 ZINC000223502863 571488252 /nfs/dbraw/zinc/48/82/52/571488252.db2.gz REURIPXURXEMRD-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 ZINC000223502922 571488333 /nfs/dbraw/zinc/48/83/33/571488333.db2.gz REURIPXURXEMRD-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503737 571488485 /nfs/dbraw/zinc/48/84/85/571488485.db2.gz JRVIEHSEFMQQKS-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503799 571488468 /nfs/dbraw/zinc/48/84/68/571488468.db2.gz JRVIEHSEFMQQKS-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503864 571488424 /nfs/dbraw/zinc/48/84/24/571488424.db2.gz JRVIEHSEFMQQKS-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503919 571488399 /nfs/dbraw/zinc/48/83/99/571488399.db2.gz JRVIEHSEFMQQKS-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223523679 571493660 /nfs/dbraw/zinc/49/36/60/571493660.db2.gz JCMSWWCCGDAENY-FQLXRVMXSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223523729 571493614 /nfs/dbraw/zinc/49/36/14/571493614.db2.gz JCMSWWCCGDAENY-WDYNHAJCSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223523787 571493668 /nfs/dbraw/zinc/49/36/68/571493668.db2.gz JCMSWWCCGDAENY-URLMMPGGSA-N 0 0 524.694 4.893 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223523836 571493620 /nfs/dbraw/zinc/49/36/20/571493620.db2.gz JCMSWWCCGDAENY-VMPREFPWSA-N 0 0 524.694 4.893 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223530355 571495482 /nfs/dbraw/zinc/49/54/82/571495482.db2.gz VDAGWFKGOSVIKU-UHFFFAOYSA-N 0 0 516.063 4.707 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223541961 571498309 /nfs/dbraw/zinc/49/83/09/571498309.db2.gz UNGBVUHVJCKCHK-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223542030 571498318 /nfs/dbraw/zinc/49/83/18/571498318.db2.gz UNGBVUHVJCKCHK-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223542078 571498238 /nfs/dbraw/zinc/49/82/38/571498238.db2.gz UNGBVUHVJCKCHK-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223542134 571498267 /nfs/dbraw/zinc/49/82/67/571498267.db2.gz UNGBVUHVJCKCHK-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 ZINC000223542220 571498300 /nfs/dbraw/zinc/49/83/00/571498300.db2.gz FBYLQFHNACCWLZ-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 ZINC000223542282 571498287 /nfs/dbraw/zinc/49/82/87/571498287.db2.gz FBYLQFHNACCWLZ-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 ZINC000223542342 571498247 /nfs/dbraw/zinc/49/82/47/571498247.db2.gz FBYLQFHNACCWLZ-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 ZINC000223542402 571498252 /nfs/dbraw/zinc/49/82/52/571498252.db2.gz FBYLQFHNACCWLZ-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543249 571498423 /nfs/dbraw/zinc/49/84/23/571498423.db2.gz WFEVNUAUVIKASK-CLJLJLNGSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543305 571498421 /nfs/dbraw/zinc/49/84/21/571498421.db2.gz WFEVNUAUVIKASK-FTJBHMTQSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543357 571498574 /nfs/dbraw/zinc/49/85/74/571498574.db2.gz WFEVNUAUVIKASK-IZZNHLLZSA-N 0 0 514.611 4.974 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543405 571498547 /nfs/dbraw/zinc/49/85/47/571498547.db2.gz WFEVNUAUVIKASK-UIOOFZCWSA-N 0 0 514.611 4.974 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N(CC)CC)cc2)c2ccc(F)cc2)cc1 ZINC000223550533 571499681 /nfs/dbraw/zinc/49/96/81/571499681.db2.gz VGGVVULVKBOQQX-UHFFFAOYSA-N 0 0 513.635 4.582 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000223567772 571503652 /nfs/dbraw/zinc/50/36/52/571503652.db2.gz FKRBFOAUSOSVQI-UHFFFAOYSA-N 0 0 512.503 4.698 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000223604075 571511839 /nfs/dbraw/zinc/51/18/39/571511839.db2.gz OVDBPSHZRMZLMQ-LJQANCHMSA-N 0 0 512.503 4.698 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000223604134 571511924 /nfs/dbraw/zinc/51/19/24/571511924.db2.gz OVDBPSHZRMZLMQ-IBGZPJMESA-N 0 0 512.503 4.698 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223653037 571521030 /nfs/dbraw/zinc/52/10/30/571521030.db2.gz AHAJQPYRJQIQJO-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223653091 571521073 /nfs/dbraw/zinc/52/10/73/571521073.db2.gz AHAJQPYRJQIQJO-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223653137 571521006 /nfs/dbraw/zinc/52/10/06/571521006.db2.gz AHAJQPYRJQIQJO-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223653186 571521035 /nfs/dbraw/zinc/52/10/35/571521035.db2.gz AHAJQPYRJQIQJO-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223653261 571521016 /nfs/dbraw/zinc/52/10/16/571521016.db2.gz FGDHZKOSCFGBFQ-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223653323 571521237 /nfs/dbraw/zinc/52/12/37/571521237.db2.gz FGDHZKOSCFGBFQ-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223653376 571521192 /nfs/dbraw/zinc/52/11/92/571521192.db2.gz FGDHZKOSCFGBFQ-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223653429 571521160 /nfs/dbraw/zinc/52/11/60/571521160.db2.gz FGDHZKOSCFGBFQ-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223653513 571521188 /nfs/dbraw/zinc/52/11/88/571521188.db2.gz JKIWIZNPVREPLM-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223653570 571521263 /nfs/dbraw/zinc/52/12/63/571521263.db2.gz JKIWIZNPVREPLM-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223653624 571521242 /nfs/dbraw/zinc/52/12/42/571521242.db2.gz JKIWIZNPVREPLM-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223653680 571521170 /nfs/dbraw/zinc/52/11/70/571521170.db2.gz JKIWIZNPVREPLM-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000223655784 571521496 /nfs/dbraw/zinc/52/14/96/571521496.db2.gz BEPDHZYBPNBQOT-SVBPBHIXSA-N 0 0 505.688 4.871 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000223655831 571521438 /nfs/dbraw/zinc/52/14/38/571521438.db2.gz BEPDHZYBPNBQOT-SXOMAYOGSA-N 0 0 505.688 4.871 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000223655886 571521427 /nfs/dbraw/zinc/52/14/27/571521427.db2.gz BEPDHZYBPNBQOT-RRPNLBNLSA-N 0 0 505.688 4.871 40 10 KJCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000223655940 571521456 /nfs/dbraw/zinc/52/14/56/571521456.db2.gz BEPDHZYBPNBQOT-KAYWLYCHSA-N 0 0 505.688 4.871 40 10 KJCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223688391 571527068 /nfs/dbraw/zinc/52/70/68/571527068.db2.gz BXMWJROKMSCSAA-UHFFFAOYSA-N 0 0 509.672 4.752 40 10 KJCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223688465 571527253 /nfs/dbraw/zinc/52/72/53/571527253.db2.gz XXSAZZWYNDIFKH-MRXNPFEDSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223688529 571527226 /nfs/dbraw/zinc/52/72/26/571527226.db2.gz XXSAZZWYNDIFKH-INIZCTEOSA-N 0 0 520.080 4.720 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223689274 571527411 /nfs/dbraw/zinc/52/74/11/571527411.db2.gz STYAMUICTSOHEI-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223689326 571527442 /nfs/dbraw/zinc/52/74/42/571527442.db2.gz STYAMUICTSOHEI-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223689362 571527471 /nfs/dbraw/zinc/52/74/71/571527471.db2.gz STYAMUICTSOHEI-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223689409 571527469 /nfs/dbraw/zinc/52/74/69/571527469.db2.gz STYAMUICTSOHEI-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223689463 571527498 /nfs/dbraw/zinc/52/74/98/571527498.db2.gz IQLRHYDTFORHEG-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223689514 571527452 /nfs/dbraw/zinc/52/74/52/571527452.db2.gz IQLRHYDTFORHEG-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223689553 571527436 /nfs/dbraw/zinc/52/74/36/571527436.db2.gz IQLRHYDTFORHEG-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223689604 571527475 /nfs/dbraw/zinc/52/74/75/571527475.db2.gz IQLRHYDTFORHEG-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223689658 571527459 /nfs/dbraw/zinc/52/74/59/571527459.db2.gz ORTJBKSRJHJLJV-GOTSBHOMSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223689712 571527438 /nfs/dbraw/zinc/52/74/38/571527438.db2.gz ORTJBKSRJHJLJV-PKTZIBPZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223689746 571527462 /nfs/dbraw/zinc/52/74/62/571527462.db2.gz ORTJBKSRJHJLJV-XZOQPEGZSA-N 0 0 513.461 4.787 40 10 KJCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223689797 571527477 /nfs/dbraw/zinc/52/74/77/571527477.db2.gz ORTJBKSRJHJLJV-DHIUTWEWSA-N 0 0 513.461 4.787 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 ZINC000223691522 571527940 /nfs/dbraw/zinc/52/79/40/571527940.db2.gz RJORAICUKWKHAE-KAYWLYCHSA-N 0 0 505.688 4.871 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 ZINC000223691565 571527928 /nfs/dbraw/zinc/52/79/28/571527928.db2.gz RJORAICUKWKHAE-SXOMAYOGSA-N 0 0 505.688 4.871 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 ZINC000223691603 571527889 /nfs/dbraw/zinc/52/78/89/571527889.db2.gz RJORAICUKWKHAE-RRPNLBNLSA-N 0 0 505.688 4.871 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 ZINC000223691652 571527880 /nfs/dbraw/zinc/52/78/80/571527880.db2.gz RJORAICUKWKHAE-SVBPBHIXSA-N 0 0 505.688 4.871 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223726434 571533583 /nfs/dbraw/zinc/53/35/83/571533583.db2.gz ZNOPAGSISLURDF-UHFFFAOYSA-N 0 0 539.698 4.679 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000223924036 571576295 /nfs/dbraw/zinc/57/62/95/571576295.db2.gz WRQWRWFLJGBRBC-VSGBNLITSA-N 0 0 510.667 4.898 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000223924085 571576329 /nfs/dbraw/zinc/57/63/29/571576329.db2.gz WRQWRWFLJGBRBC-IZLXSDGUSA-N 0 0 510.667 4.898 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000223924135 571576377 /nfs/dbraw/zinc/57/63/77/571576377.db2.gz WRQWRWFLJGBRBC-WUFINQPMSA-N 0 0 510.667 4.898 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000223924190 571576383 /nfs/dbraw/zinc/57/63/83/571576383.db2.gz WRQWRWFLJGBRBC-NSOVKSMOSA-N 0 0 510.667 4.898 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000224125168 571481213 /nfs/dbraw/zinc/48/12/13/571481213.db2.gz KZKKUAZVUJHMKV-UHFFFAOYSA-N 0 0 516.063 4.707 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000224190416 571493585 /nfs/dbraw/zinc/49/35/85/571493585.db2.gz SXFVKVFDNXUZIF-UHFFFAOYSA-N 0 0 577.488 4.649 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224204013 571495931 /nfs/dbraw/zinc/49/59/31/571495931.db2.gz VIPFBXCNOFWSJW-UHFFFAOYSA-N 0 0 509.672 4.670 40 10 KJCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224328346 571522767 /nfs/dbraw/zinc/52/27/67/571522767.db2.gz IFKSXSJPZQXSLL-HZPDHXFCSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224328401 571522783 /nfs/dbraw/zinc/52/27/83/571522783.db2.gz IFKSXSJPZQXSLL-CVEARBPZSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224336492 571524735 /nfs/dbraw/zinc/52/47/35/571524735.db2.gz KTDVWHSKIPWFJL-HZPDHXFCSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224336542 571524928 /nfs/dbraw/zinc/52/49/28/571524928.db2.gz KTDVWHSKIPWFJL-CVEARBPZSA-N 0 0 520.080 4.720 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000224383701 571535054 /nfs/dbraw/zinc/53/50/54/571535054.db2.gz WCMLZGGFXCDJGF-QHCPKHFHSA-N 0 0 527.731 4.916 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000224383750 571535066 /nfs/dbraw/zinc/53/50/66/571535066.db2.gz WCMLZGGFXCDJGF-HSZRJFAPSA-N 0 0 527.731 4.916 40 10 KJCBRN CCOc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N(CC)CC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000224699180 571606534 /nfs/dbraw/zinc/60/65/34/571606534.db2.gz YYJOVPLHMUVBFF-UHFFFAOYSA-N 0 0 509.672 4.828 40 10 KJCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000224762330 571614802 /nfs/dbraw/zinc/61/48/02/571614802.db2.gz XHFPJIZVCDKULI-MOHJPFBDSA-N 0 0 505.640 4.843 40 10 KJCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224837960 571622019 /nfs/dbraw/zinc/62/20/19/571622019.db2.gz VGPXMWPXNNLROP-UHFFFAOYSA-N 0 0 558.100 4.530 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000224946025 571632684 /nfs/dbraw/zinc/63/26/84/571632684.db2.gz AMQINAGBEKOPQJ-UHFFFAOYSA-N 0 0 516.063 4.707 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000225022582 571639793 /nfs/dbraw/zinc/63/97/93/571639793.db2.gz RJBLKWCWJUYTRU-UHFFFAOYSA-N 0 0 530.488 4.807 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225033166 571640773 /nfs/dbraw/zinc/64/07/73/571640773.db2.gz UMABLLMEKYHHBE-QFIPXVFZSA-N 0 0 513.704 4.670 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225033204 571640772 /nfs/dbraw/zinc/64/07/72/571640772.db2.gz UMABLLMEKYHHBE-JOCHJYFZSA-N 0 0 513.704 4.670 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)cc1 ZINC000225116794 571649031 /nfs/dbraw/zinc/64/90/31/571649031.db2.gz FDEWBZCSBIIURJ-SANMLTNESA-N 0 0 528.074 4.767 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)cc1 ZINC000225116831 571649004 /nfs/dbraw/zinc/64/90/04/571649004.db2.gz FDEWBZCSBIIURJ-AREMUKBSSA-N 0 0 528.074 4.767 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000225208334 571658044 /nfs/dbraw/zinc/65/80/44/571658044.db2.gz QAPRSGAALBRTRE-SVBPBHIXSA-N 0 0 512.639 4.646 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000225208375 571658069 /nfs/dbraw/zinc/65/80/69/571658069.db2.gz QAPRSGAALBRTRE-SXOMAYOGSA-N 0 0 512.639 4.646 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000225208412 571658052 /nfs/dbraw/zinc/65/80/52/571658052.db2.gz QAPRSGAALBRTRE-RRPNLBNLSA-N 0 0 512.639 4.646 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000225208448 571658043 /nfs/dbraw/zinc/65/80/43/571658043.db2.gz QAPRSGAALBRTRE-KAYWLYCHSA-N 0 0 512.639 4.646 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 ZINC000225215940 571658754 /nfs/dbraw/zinc/65/87/54/571658754.db2.gz QQOJTYUZQIJIBT-NSOVKSMOSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 ZINC000225215977 571658795 /nfs/dbraw/zinc/65/87/95/571658795.db2.gz QQOJTYUZQIJIBT-IZLXSDGUSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 ZINC000225216018 571658827 /nfs/dbraw/zinc/65/88/27/571658827.db2.gz QQOJTYUZQIJIBT-WUFINQPMSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 ZINC000225216059 571658801 /nfs/dbraw/zinc/65/88/01/571658801.db2.gz QQOJTYUZQIJIBT-VSGBNLITSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 ZINC000225216116 571658815 /nfs/dbraw/zinc/65/88/15/571658815.db2.gz LYQKOVNNICLPAB-NSOVKSMOSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 ZINC000225216151 571658831 /nfs/dbraw/zinc/65/88/31/571658831.db2.gz LYQKOVNNICLPAB-IZLXSDGUSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 ZINC000225216185 571658830 /nfs/dbraw/zinc/65/88/30/571658830.db2.gz LYQKOVNNICLPAB-WUFINQPMSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 ZINC000225216228 571658808 /nfs/dbraw/zinc/65/88/08/571658808.db2.gz LYQKOVNNICLPAB-VSGBNLITSA-N 0 0 527.650 4.957 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000225218552 571659058 /nfs/dbraw/zinc/65/90/58/571659058.db2.gz INHYPWPKJQBEGW-VMPREFPWSA-N 0 0 555.660 4.980 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000225218590 571659092 /nfs/dbraw/zinc/65/90/92/571659092.db2.gz INHYPWPKJQBEGW-WDYNHAJCSA-N 0 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MOAGFWMTXZAYPD-WUFINQPMSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1 ZINC000225220328 571659319 /nfs/dbraw/zinc/65/93/19/571659319.db2.gz MOAGFWMTXZAYPD-VSGBNLITSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1 ZINC000225220379 571659342 /nfs/dbraw/zinc/65/93/42/571659342.db2.gz UXLRIKJYNMMSJY-SVBPBHIXSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1 ZINC000225220407 571659309 /nfs/dbraw/zinc/65/93/09/571659309.db2.gz UXLRIKJYNMMSJY-SXOMAYOGSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1 ZINC000225220431 571659379 /nfs/dbraw/zinc/65/93/79/571659379.db2.gz UXLRIKJYNMMSJY-RRPNLBNLSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1 ZINC000225220467 571659382 /nfs/dbraw/zinc/65/93/82/571659382.db2.gz UXLRIKJYNMMSJY-KAYWLYCHSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1 ZINC000225220513 571659352 /nfs/dbraw/zinc/65/93/52/571659352.db2.gz AJPNUTKKOGMWLY-NSOVKSMOSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1 ZINC000225220555 571659377 /nfs/dbraw/zinc/65/93/77/571659377.db2.gz AJPNUTKKOGMWLY-IZLXSDGUSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1 ZINC000225220593 571659368 /nfs/dbraw/zinc/65/93/68/571659368.db2.gz AJPNUTKKOGMWLY-WUFINQPMSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1 ZINC000225220628 571659378 /nfs/dbraw/zinc/65/93/78/571659378.db2.gz AJPNUTKKOGMWLY-VSGBNLITSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1 ZINC000225230073 571660406 /nfs/dbraw/zinc/66/04/06/571660406.db2.gz BSPWQZMILJIREP-NSOVKSMOSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1 ZINC000225230110 571660393 /nfs/dbraw/zinc/66/03/93/571660393.db2.gz BSPWQZMILJIREP-IZLXSDGUSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1 ZINC000225230151 571660436 /nfs/dbraw/zinc/66/04/36/571660436.db2.gz BSPWQZMILJIREP-WUFINQPMSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1 ZINC000225230184 571660458 /nfs/dbraw/zinc/66/04/58/571660458.db2.gz BSPWQZMILJIREP-VSGBNLITSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225263205 571663993 /nfs/dbraw/zinc/66/39/93/571663993.db2.gz AWGQOUCZNPLJRY-NSOVKSMOSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225263239 571664018 /nfs/dbraw/zinc/66/40/18/571664018.db2.gz AWGQOUCZNPLJRY-IZLXSDGUSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225263270 571664030 /nfs/dbraw/zinc/66/40/30/571664030.db2.gz AWGQOUCZNPLJRY-WUFINQPMSA-N 0 0 526.666 4.955 40 10 KJCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225263307 571664012 /nfs/dbraw/zinc/66/40/12/571664012.db2.gz AWGQOUCZNPLJRY-VSGBNLITSA-N 0 0 526.666 4.955 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000225267878 571664610 /nfs/dbraw/zinc/66/46/10/571664610.db2.gz NDJACTYVZCFRSG-HXUWFJFHSA-N 0 0 512.503 4.698 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000225267915 571664623 /nfs/dbraw/zinc/66/46/23/571664623.db2.gz NDJACTYVZCFRSG-FQEVSTJZSA-N 0 0 512.503 4.698 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC ZINC000225289959 571667084 /nfs/dbraw/zinc/66/70/84/571667084.db2.gz PJHGHPZBTDHJRE-NSOVKSMOSA-N 0 0 542.665 4.655 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC ZINC000225289989 571667074 /nfs/dbraw/zinc/66/70/74/571667074.db2.gz PJHGHPZBTDHJRE-IZLXSDGUSA-N 0 0 542.665 4.655 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC ZINC000225290024 571667070 /nfs/dbraw/zinc/66/70/70/571667070.db2.gz PJHGHPZBTDHJRE-WUFINQPMSA-N 0 0 542.665 4.655 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC ZINC000225290056 571667107 /nfs/dbraw/zinc/66/71/07/571667107.db2.gz PJHGHPZBTDHJRE-VSGBNLITSA-N 0 0 542.665 4.655 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC ZINC000225296286 571667988 /nfs/dbraw/zinc/66/79/88/571667988.db2.gz JRNBUYFMYJOVBD-VMPREFPWSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC ZINC000225296303 571668046 /nfs/dbraw/zinc/66/80/46/571668046.db2.gz JRNBUYFMYJOVBD-WDYNHAJCSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC ZINC000225296319 571668037 /nfs/dbraw/zinc/66/80/37/571668037.db2.gz JRNBUYFMYJOVBD-URLMMPGGSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC ZINC000225296337 571668019 /nfs/dbraw/zinc/66/80/19/571668019.db2.gz JRNBUYFMYJOVBD-FQLXRVMXSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1OC ZINC000225296366 571668025 /nfs/dbraw/zinc/66/80/25/571668025.db2.gz OPYPGCWOGBLULA-VMPREFPWSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1OC ZINC000225296392 571668033 /nfs/dbraw/zinc/66/80/33/571668033.db2.gz OPYPGCWOGBLULA-WDYNHAJCSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1OC ZINC000225296412 571668028 /nfs/dbraw/zinc/66/80/28/571668028.db2.gz OPYPGCWOGBLULA-URLMMPGGSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1OC ZINC000225296423 571668029 /nfs/dbraw/zinc/66/80/29/571668029.db2.gz OPYPGCWOGBLULA-FQLXRVMXSA-N 0 0 557.676 4.965 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OC ZINC000225298988 571668440 /nfs/dbraw/zinc/66/84/40/571668440.db2.gz BKGMXZPQNVXUDH-KYJUHHDHSA-N 0 0 585.686 4.988 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OC ZINC000225299020 571668465 /nfs/dbraw/zinc/66/84/65/571668465.db2.gz BKGMXZPQNVXUDH-IHLOFXLRSA-N 0 0 585.686 4.988 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OC ZINC000225299054 571668463 /nfs/dbraw/zinc/66/84/63/571668463.db2.gz BKGMXZPQNVXUDH-XZWHSSHBSA-N 0 0 585.686 4.988 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OC ZINC000225299089 571668433 /nfs/dbraw/zinc/66/84/33/571668433.db2.gz BKGMXZPQNVXUDH-LOYHVIPDSA-N 0 0 585.686 4.988 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC ZINC000225300535 571668603 /nfs/dbraw/zinc/66/86/03/571668603.db2.gz NOHDYQLGDMWTTE-VMPREFPWSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC ZINC000225300572 571668609 /nfs/dbraw/zinc/66/86/09/571668609.db2.gz NOHDYQLGDMWTTE-WDYNHAJCSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC ZINC000225300608 571668584 /nfs/dbraw/zinc/66/85/84/571668584.db2.gz NOHDYQLGDMWTTE-URLMMPGGSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC ZINC000225300646 571668656 /nfs/dbraw/zinc/66/86/56/571668656.db2.gz NOHDYQLGDMWTTE-FQLXRVMXSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC ZINC000225300692 571668645 /nfs/dbraw/zinc/66/86/45/571668645.db2.gz PHPVMRDIKFSZIS-NSOVKSMOSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC ZINC000225300729 571668671 /nfs/dbraw/zinc/66/86/71/571668671.db2.gz PHPVMRDIKFSZIS-IZLXSDGUSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC ZINC000225300764 571668642 /nfs/dbraw/zinc/66/86/42/571668642.db2.gz PHPVMRDIKFSZIS-WUFINQPMSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC ZINC000225300801 571668655 /nfs/dbraw/zinc/66/86/55/571668655.db2.gz PHPVMRDIKFSZIS-VSGBNLITSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC ZINC000225300853 571668629 /nfs/dbraw/zinc/66/86/29/571668629.db2.gz XTPLCRCHYFKLPF-VMPREFPWSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC ZINC000225300884 571668635 /nfs/dbraw/zinc/66/86/35/571668635.db2.gz XTPLCRCHYFKLPF-WDYNHAJCSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC ZINC000225300918 571668669 /nfs/dbraw/zinc/66/86/69/571668669.db2.gz XTPLCRCHYFKLPF-URLMMPGGSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC ZINC000225300951 571668637 /nfs/dbraw/zinc/66/86/37/571668637.db2.gz XTPLCRCHYFKLPF-FQLXRVMXSA-N 0 0 556.692 4.963 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1OC ZINC000225308516 571669662 /nfs/dbraw/zinc/66/96/62/571669662.db2.gz OEMRHMPBQXOPBR-NSOVKSMOSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1OC ZINC000225308548 571669673 /nfs/dbraw/zinc/66/96/73/571669673.db2.gz OEMRHMPBQXOPBR-IZLXSDGUSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1OC ZINC000225308579 571669723 /nfs/dbraw/zinc/66/97/23/571669723.db2.gz OEMRHMPBQXOPBR-WUFINQPMSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1OC ZINC000225308608 571669686 /nfs/dbraw/zinc/66/96/86/571669686.db2.gz OEMRHMPBQXOPBR-VSGBNLITSA-N 0 0 527.650 4.951 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC ZINC000225308667 571669689 /nfs/dbraw/zinc/66/96/89/571669689.db2.gz RMFYXTWEWCFLGF-VMPREFPWSA-N 0 0 557.676 4.960 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC ZINC000225308703 571669691 /nfs/dbraw/zinc/66/96/91/571669691.db2.gz RMFYXTWEWCFLGF-WDYNHAJCSA-N 0 0 557.676 4.960 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC ZINC000225308735 571669702 /nfs/dbraw/zinc/66/97/02/571669702.db2.gz RMFYXTWEWCFLGF-URLMMPGGSA-N 0 0 557.676 4.960 40 10 KJCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC ZINC000225308765 571669714 /nfs/dbraw/zinc/66/97/14/571669714.db2.gz RMFYXTWEWCFLGF-FQLXRVMXSA-N 0 0 557.676 4.960 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225370024 571735016 /nfs/dbraw/zinc/73/50/16/571735016.db2.gz UFLAWZAKIVKZDL-PKTZIBPZSA-N 0 0 527.731 4.916 40 10 KJCBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225370058 571735145 /nfs/dbraw/zinc/73/51/45/571735145.db2.gz UFLAWZAKIVKZDL-DHIUTWEWSA-N 0 0 527.731 4.916 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225386147 571755282 /nfs/dbraw/zinc/75/52/82/571755282.db2.gz KKZVGJVXTVDESW-LOYHVIPDSA-N 0 0 602.786 4.874 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225386175 571755345 /nfs/dbraw/zinc/75/53/45/571755345.db2.gz KKZVGJVXTVDESW-IHLOFXLRSA-N 0 0 602.786 4.874 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225386198 571755369 /nfs/dbraw/zinc/75/53/69/571755369.db2.gz KKZVGJVXTVDESW-XZWHSSHBSA-N 0 0 602.786 4.874 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225386228 571755393 /nfs/dbraw/zinc/75/53/93/571755393.db2.gz KKZVGJVXTVDESW-KYJUHHDHSA-N 0 0 602.786 4.874 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O ZINC000225396035 571765318 /nfs/dbraw/zinc/76/53/18/571765318.db2.gz IAIVNYUHHPFCPM-CLJLJLNGSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O ZINC000225396080 571765375 /nfs/dbraw/zinc/76/53/75/571765375.db2.gz IAIVNYUHHPFCPM-FTJBHMTQSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O ZINC000225396123 571765403 /nfs/dbraw/zinc/76/54/03/571765403.db2.gz IAIVNYUHHPFCPM-IZZNHLLZSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O ZINC000225396149 571765286 /nfs/dbraw/zinc/76/52/86/571765286.db2.gz IAIVNYUHHPFCPM-UIOOFZCWSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225396211 571766124 /nfs/dbraw/zinc/76/61/24/571766124.db2.gz SJTLKMHSGIKUFN-CLJLJLNGSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225396255 571766119 /nfs/dbraw/zinc/76/61/19/571766119.db2.gz SJTLKMHSGIKUFN-FTJBHMTQSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225396301 571766020 /nfs/dbraw/zinc/76/60/20/571766020.db2.gz SJTLKMHSGIKUFN-IZZNHLLZSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225396342 571766074 /nfs/dbraw/zinc/76/60/74/571766074.db2.gz SJTLKMHSGIKUFN-UIOOFZCWSA-N 0 0 533.679 4.743 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225398761 571768732 /nfs/dbraw/zinc/76/87/32/571768732.db2.gz WSRIBMZSRHGFDU-KAYWLYCHSA-N 0 0 561.689 4.766 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225398804 571768751 /nfs/dbraw/zinc/76/87/51/571768751.db2.gz WSRIBMZSRHGFDU-SXOMAYOGSA-N 0 0 561.689 4.766 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225398845 571768790 /nfs/dbraw/zinc/76/87/90/571768790.db2.gz WSRIBMZSRHGFDU-RRPNLBNLSA-N 0 0 561.689 4.766 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225398894 571768834 /nfs/dbraw/zinc/76/88/34/571768834.db2.gz WSRIBMZSRHGFDU-SVBPBHIXSA-N 0 0 561.689 4.766 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225399350 571769453 /nfs/dbraw/zinc/76/94/53/571769453.db2.gz MCYGYYCZOPGRLT-KAYWLYCHSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225399394 571769382 /nfs/dbraw/zinc/76/93/82/571769382.db2.gz MCYGYYCZOPGRLT-SXOMAYOGSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225399436 571769351 /nfs/dbraw/zinc/76/93/51/571769351.db2.gz MCYGYYCZOPGRLT-RRPNLBNLSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225399472 571769461 /nfs/dbraw/zinc/76/94/61/571769461.db2.gz MCYGYYCZOPGRLT-SVBPBHIXSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225399532 571769403 /nfs/dbraw/zinc/76/94/03/571769403.db2.gz YTMMSKBNGDATMQ-KAYWLYCHSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225399576 571769301 /nfs/dbraw/zinc/76/93/01/571769301.db2.gz YTMMSKBNGDATMQ-SXOMAYOGSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225399612 571769364 /nfs/dbraw/zinc/76/93/64/571769364.db2.gz YTMMSKBNGDATMQ-RRPNLBNLSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225399649 571769393 /nfs/dbraw/zinc/76/93/93/571769393.db2.gz YTMMSKBNGDATMQ-SVBPBHIXSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400276 571769900 /nfs/dbraw/zinc/76/99/00/571769900.db2.gz VFNYTNBYKDETLY-KAYWLYCHSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400322 571769841 /nfs/dbraw/zinc/76/98/41/571769841.db2.gz VFNYTNBYKDETLY-SXOMAYOGSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400368 571770606 /nfs/dbraw/zinc/77/06/06/571770606.db2.gz VFNYTNBYKDETLY-RRPNLBNLSA-N 0 0 592.703 4.955 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400414 571770463 /nfs/dbraw/zinc/77/04/63/571770463.db2.gz VFNYTNBYKDETLY-SVBPBHIXSA-N 0 0 592.703 4.955 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225400653 571770625 /nfs/dbraw/zinc/77/06/25/571770625.db2.gz JEPPXCPRCZLFNK-CLJLJLNGSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225400696 571770487 /nfs/dbraw/zinc/77/04/87/571770487.db2.gz JEPPXCPRCZLFNK-FTJBHMTQSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225400737 571770458 /nfs/dbraw/zinc/77/04/58/571770458.db2.gz JEPPXCPRCZLFNK-IZZNHLLZSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225400779 571770561 /nfs/dbraw/zinc/77/05/61/571770561.db2.gz JEPPXCPRCZLFNK-UIOOFZCWSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ncccc1C ZINC000225400837 571770763 /nfs/dbraw/zinc/77/07/63/571770763.db2.gz SGKICSZQMDSIQP-JWQCQUIFSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ncccc1C ZINC000225400881 571770870 /nfs/dbraw/zinc/77/08/70/571770870.db2.gz SGKICSZQMDSIQP-RPBOFIJWSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ncccc1C ZINC000225400928 571770879 /nfs/dbraw/zinc/77/08/79/571770879.db2.gz SGKICSZQMDSIQP-LOSJGSFVSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ncccc1C ZINC000225400972 571770823 /nfs/dbraw/zinc/77/08/23/571770823.db2.gz SGKICSZQMDSIQP-DQEYMECFSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225401038 571770857 /nfs/dbraw/zinc/77/08/57/571770857.db2.gz BDSOIQMAFUSNPQ-CLJLJLNGSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225401076 571770923 /nfs/dbraw/zinc/77/09/23/571770923.db2.gz BDSOIQMAFUSNPQ-FTJBHMTQSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225401119 571770859 /nfs/dbraw/zinc/77/08/59/571770859.db2.gz BDSOIQMAFUSNPQ-IZZNHLLZSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225401158 571770808 /nfs/dbraw/zinc/77/08/08/571770808.db2.gz BDSOIQMAFUSNPQ-UIOOFZCWSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000225412190 571779716 /nfs/dbraw/zinc/77/97/16/571779716.db2.gz ICMJHBSGGGMSJB-JWQCQUIFSA-N 0 0 503.653 4.729 40 10 KJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000225412234 571779629 /nfs/dbraw/zinc/77/96/29/571779629.db2.gz ICMJHBSGGGMSJB-RPBOFIJWSA-N 0 0 503.653 4.729 40 10 KJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000225412272 571779785 /nfs/dbraw/zinc/77/97/85/571779785.db2.gz ICMJHBSGGGMSJB-LOSJGSFVSA-N 0 0 503.653 4.729 40 10 KJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000225412308 571779793 /nfs/dbraw/zinc/77/97/93/571779793.db2.gz ICMJHBSGGGMSJB-DQEYMECFSA-N 0 0 503.653 4.729 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225412375 571780208 /nfs/dbraw/zinc/78/02/08/571780208.db2.gz OFPUWHRBKBTJDV-CLJLJLNGSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225412420 571780374 /nfs/dbraw/zinc/78/03/74/571780374.db2.gz OFPUWHRBKBTJDV-FTJBHMTQSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225412451 571780316 /nfs/dbraw/zinc/78/03/16/571780316.db2.gz OFPUWHRBKBTJDV-IZZNHLLZSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225412495 571780241 /nfs/dbraw/zinc/78/02/41/571780241.db2.gz OFPUWHRBKBTJDV-UIOOFZCWSA-N 0 0 533.679 4.738 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225412730 571780245 /nfs/dbraw/zinc/78/02/45/571780245.db2.gz RGJWMRVMWMCJCF-KAYWLYCHSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225412772 571780213 /nfs/dbraw/zinc/78/02/13/571780213.db2.gz RGJWMRVMWMCJCF-SXOMAYOGSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225412804 571780196 /nfs/dbraw/zinc/78/01/96/571780196.db2.gz RGJWMRVMWMCJCF-RRPNLBNLSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225412845 571780396 /nfs/dbraw/zinc/78/03/96/571780396.db2.gz RGJWMRVMWMCJCF-SVBPBHIXSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225412895 571780322 /nfs/dbraw/zinc/78/03/22/571780322.db2.gz RRPZMGJSBVFBQN-KAYWLYCHSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225412940 571780786 /nfs/dbraw/zinc/78/07/86/571780786.db2.gz RRPZMGJSBVFBQN-SXOMAYOGSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225412975 571780763 /nfs/dbraw/zinc/78/07/63/571780763.db2.gz RRPZMGJSBVFBQN-RRPNLBNLSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225413013 571780891 /nfs/dbraw/zinc/78/08/91/571780891.db2.gz RRPZMGJSBVFBQN-SVBPBHIXSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225413069 571780822 /nfs/dbraw/zinc/78/08/22/571780822.db2.gz VLULZDQQFZHGFT-KAYWLYCHSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225413113 571780933 /nfs/dbraw/zinc/78/09/33/571780933.db2.gz VLULZDQQFZHGFT-SXOMAYOGSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225413151 571780863 /nfs/dbraw/zinc/78/08/63/571780863.db2.gz VLULZDQQFZHGFT-RRPNLBNLSA-N 0 0 575.716 4.824 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225413200 571780775 /nfs/dbraw/zinc/78/07/75/571780775.db2.gz VLULZDQQFZHGFT-SVBPBHIXSA-N 0 0 575.716 4.824 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225416915 571784174 /nfs/dbraw/zinc/78/41/74/571784174.db2.gz XPFPLYRFBKUXLP-CONSDPRKSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225416959 571784234 /nfs/dbraw/zinc/78/42/34/571784234.db2.gz XPFPLYRFBKUXLP-JSOSNVBQSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225417004 571784225 /nfs/dbraw/zinc/78/42/25/571784225.db2.gz XPFPLYRFBKUXLP-IOWSJCHKSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225417044 571784049 /nfs/dbraw/zinc/78/40/49/571784049.db2.gz XPFPLYRFBKUXLP-FIRIVFDPSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225426945 571793559 /nfs/dbraw/zinc/79/35/59/571793559.db2.gz JKUOTCRBQDHMIW-SVBPBHIXSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225426985 571793589 /nfs/dbraw/zinc/79/35/89/571793589.db2.gz JKUOTCRBQDHMIW-SXOMAYOGSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225427029 571793576 /nfs/dbraw/zinc/79/35/76/571793576.db2.gz JKUOTCRBQDHMIW-RRPNLBNLSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225427064 571793490 /nfs/dbraw/zinc/79/34/90/571793490.db2.gz JKUOTCRBQDHMIW-KAYWLYCHSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225427121 571793411 /nfs/dbraw/zinc/79/34/11/571793411.db2.gz NIKKNLLIINLPOZ-SVBPBHIXSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225427160 571793945 /nfs/dbraw/zinc/79/39/45/571793945.db2.gz NIKKNLLIINLPOZ-SXOMAYOGSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225427195 571793858 /nfs/dbraw/zinc/79/38/58/571793858.db2.gz NIKKNLLIINLPOZ-RRPNLBNLSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225427233 571794122 /nfs/dbraw/zinc/79/41/22/571794122.db2.gz NIKKNLLIINLPOZ-KAYWLYCHSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O ZINC000225429981 571797459 /nfs/dbraw/zinc/79/74/59/571797459.db2.gz MIIBWDXKIMVFNP-NSOVKSMOSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O ZINC000225430021 571797485 /nfs/dbraw/zinc/79/74/85/571797485.db2.gz MIIBWDXKIMVFNP-IZLXSDGUSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O ZINC000225430060 571797442 /nfs/dbraw/zinc/79/74/42/571797442.db2.gz MIIBWDXKIMVFNP-WUFINQPMSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O ZINC000225430097 571797427 /nfs/dbraw/zinc/79/74/27/571797427.db2.gz MIIBWDXKIMVFNP-VSGBNLITSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225430530 571797981 /nfs/dbraw/zinc/79/79/81/571797981.db2.gz IWGHCJKJWFOXIG-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225430572 571798313 /nfs/dbraw/zinc/79/83/13/571798313.db2.gz IWGHCJKJWFOXIG-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225430610 571798384 /nfs/dbraw/zinc/79/83/84/571798384.db2.gz IWGHCJKJWFOXIG-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225430641 571798363 /nfs/dbraw/zinc/79/83/63/571798363.db2.gz IWGHCJKJWFOXIG-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430704 571798392 /nfs/dbraw/zinc/79/83/92/571798392.db2.gz SRZDOGXOVNRLOG-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430741 571798306 /nfs/dbraw/zinc/79/83/06/571798306.db2.gz SRZDOGXOVNRLOG-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430774 571798469 /nfs/dbraw/zinc/79/84/69/571798469.db2.gz SRZDOGXOVNRLOG-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430816 571798231 /nfs/dbraw/zinc/79/82/31/571798231.db2.gz SRZDOGXOVNRLOG-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225431404 571798907 /nfs/dbraw/zinc/79/89/07/571798907.db2.gz FUGPTDJAOUSCSM-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431443 571798769 /nfs/dbraw/zinc/79/87/69/571798769.db2.gz FUGPTDJAOUSCSM-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431480 571798956 /nfs/dbraw/zinc/79/89/56/571798956.db2.gz FUGPTDJAOUSCSM-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431514 571798973 /nfs/dbraw/zinc/79/89/73/571798973.db2.gz FUGPTDJAOUSCSM-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O ZINC000225431741 571799376 /nfs/dbraw/zinc/79/93/76/571799376.db2.gz SRTOLVLUBUNGPJ-SVBPBHIXSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O ZINC000225431779 571799446 /nfs/dbraw/zinc/79/94/46/571799446.db2.gz SRTOLVLUBUNGPJ-SXOMAYOGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O ZINC000225431819 571799396 /nfs/dbraw/zinc/79/93/96/571799396.db2.gz SRTOLVLUBUNGPJ-RRPNLBNLSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O ZINC000225431860 571799303 /nfs/dbraw/zinc/79/93/03/571799303.db2.gz SRTOLVLUBUNGPJ-KAYWLYCHSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431912 571799296 /nfs/dbraw/zinc/79/92/96/571799296.db2.gz QPMZTHKAAKTWSY-UIOOFZCWSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431955 571799355 /nfs/dbraw/zinc/79/93/55/571799355.db2.gz QPMZTHKAAKTWSY-FTJBHMTQSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431984 571799479 /nfs/dbraw/zinc/79/94/79/571799479.db2.gz QPMZTHKAAKTWSY-IZZNHLLZSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225432026 571799462 /nfs/dbraw/zinc/79/94/62/571799462.db2.gz QPMZTHKAAKTWSY-CLJLJLNGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O ZINC000225432081 571799912 /nfs/dbraw/zinc/79/99/12/571799912.db2.gz OBHKOHUFTVSVID-SVBPBHIXSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O ZINC000225432116 571799776 /nfs/dbraw/zinc/79/97/76/571799776.db2.gz OBHKOHUFTVSVID-SXOMAYOGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O ZINC000225432151 571799727 /nfs/dbraw/zinc/79/97/27/571799727.db2.gz OBHKOHUFTVSVID-RRPNLBNLSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O ZINC000225432189 571799877 /nfs/dbraw/zinc/79/98/77/571799877.db2.gz OBHKOHUFTVSVID-KAYWLYCHSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O ZINC000225441727 571811845 /nfs/dbraw/zinc/81/18/45/571811845.db2.gz ABRXUZWLNBOGNO-UIOOFZCWSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O ZINC000225441765 571811857 /nfs/dbraw/zinc/81/18/57/571811857.db2.gz ABRXUZWLNBOGNO-FTJBHMTQSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O ZINC000225441797 571812065 /nfs/dbraw/zinc/81/20/65/571812065.db2.gz ABRXUZWLNBOGNO-IZZNHLLZSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O ZINC000225441832 571812522 /nfs/dbraw/zinc/81/25/22/571812522.db2.gz ABRXUZWLNBOGNO-CLJLJLNGSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 ZINC000225441895 571812685 /nfs/dbraw/zinc/81/26/85/571812685.db2.gz NGFXQOASUZBJBH-KAYWLYCHSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 ZINC000225441935 571812549 /nfs/dbraw/zinc/81/25/49/571812549.db2.gz NGFXQOASUZBJBH-SXOMAYOGSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 ZINC000225441972 571812669 /nfs/dbraw/zinc/81/26/69/571812669.db2.gz NGFXQOASUZBJBH-RRPNLBNLSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 ZINC000225442009 571812690 /nfs/dbraw/zinc/81/26/90/571812690.db2.gz NGFXQOASUZBJBH-SVBPBHIXSA-N 0 0 563.705 4.747 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442227 571812767 /nfs/dbraw/zinc/81/27/67/571812767.db2.gz PCDQLRKSRVIZHC-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442258 571812741 /nfs/dbraw/zinc/81/27/41/571812741.db2.gz PCDQLRKSRVIZHC-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442296 571812603 /nfs/dbraw/zinc/81/26/03/571812603.db2.gz PCDQLRKSRVIZHC-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442340 571812676 /nfs/dbraw/zinc/81/26/76/571812676.db2.gz PCDQLRKSRVIZHC-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225442399 571813302 /nfs/dbraw/zinc/81/33/02/571813302.db2.gz NVOIQIRBJUKVSY-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225442440 571813275 /nfs/dbraw/zinc/81/32/75/571813275.db2.gz NVOIQIRBJUKVSY-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225442479 571813213 /nfs/dbraw/zinc/81/32/13/571813213.db2.gz NVOIQIRBJUKVSY-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225442513 571813226 /nfs/dbraw/zinc/81/32/26/571813226.db2.gz NVOIQIRBJUKVSY-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442565 571813253 /nfs/dbraw/zinc/81/32/53/571813253.db2.gz BQATWOFSESVSED-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442602 571813192 /nfs/dbraw/zinc/81/31/92/571813192.db2.gz BQATWOFSESVSED-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442639 571813327 /nfs/dbraw/zinc/81/33/27/571813327.db2.gz BQATWOFSESVSED-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442677 571813349 /nfs/dbraw/zinc/81/33/49/571813349.db2.gz BQATWOFSESVSED-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccn1 ZINC000225447868 571819944 /nfs/dbraw/zinc/81/99/44/571819944.db2.gz FKADGXZUCDOUDJ-CLJLJLNGSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccn1 ZINC000225447902 571820008 /nfs/dbraw/zinc/82/00/08/571820008.db2.gz FKADGXZUCDOUDJ-FTJBHMTQSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccn1 ZINC000225447939 571819869 /nfs/dbraw/zinc/81/98/69/571819869.db2.gz FKADGXZUCDOUDJ-IZZNHLLZSA-N 0 0 532.695 4.741 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccn1 ZINC000225447970 571819809 /nfs/dbraw/zinc/81/98/09/571819809.db2.gz FKADGXZUCDOUDJ-UIOOFZCWSA-N 0 0 532.695 4.741 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O ZINC000225472387 571842825 /nfs/dbraw/zinc/84/28/25/571842825.db2.gz YRJMIXKCWYZTQC-CONSDPRKSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O ZINC000225472425 571842708 /nfs/dbraw/zinc/84/27/08/571842708.db2.gz YRJMIXKCWYZTQC-JSOSNVBQSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O ZINC000225472461 571842891 /nfs/dbraw/zinc/84/28/91/571842891.db2.gz YRJMIXKCWYZTQC-IOWSJCHKSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O ZINC000225472499 571842727 /nfs/dbraw/zinc/84/27/27/571842727.db2.gz YRJMIXKCWYZTQC-FIRIVFDPSA-N 0 0 632.812 4.883 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O ZINC000225481170 571851623 /nfs/dbraw/zinc/85/16/23/571851623.db2.gz SSVOMPFRMWEZIF-SVBPBHIXSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O ZINC000225481193 571851732 /nfs/dbraw/zinc/85/17/32/571851732.db2.gz SSVOMPFRMWEZIF-SXOMAYOGSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O ZINC000225481214 571851570 /nfs/dbraw/zinc/85/15/70/571851570.db2.gz SSVOMPFRMWEZIF-RRPNLBNLSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O ZINC000225481231 571851677 /nfs/dbraw/zinc/85/16/77/571851677.db2.gz SSVOMPFRMWEZIF-KAYWLYCHSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481248 571851645 /nfs/dbraw/zinc/85/16/45/571851645.db2.gz GBFIKAXQZDFKPZ-SVBPBHIXSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481260 571851596 /nfs/dbraw/zinc/85/15/96/571851596.db2.gz GBFIKAXQZDFKPZ-SXOMAYOGSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481278 571851709 /nfs/dbraw/zinc/85/17/09/571851709.db2.gz GBFIKAXQZDFKPZ-RRPNLBNLSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481299 571851605 /nfs/dbraw/zinc/85/16/05/571851605.db2.gz GBFIKAXQZDFKPZ-KAYWLYCHSA-N 0 0 563.705 4.752 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O ZINC000225483230 571853890 /nfs/dbraw/zinc/85/38/90/571853890.db2.gz PIQGCEHKDKXAIQ-NSOVKSMOSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O ZINC000225483266 571853716 /nfs/dbraw/zinc/85/37/16/571853716.db2.gz PIQGCEHKDKXAIQ-IZLXSDGUSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O ZINC000225483298 571853728 /nfs/dbraw/zinc/85/37/28/571853728.db2.gz PIQGCEHKDKXAIQ-WUFINQPMSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O ZINC000225483333 571853702 /nfs/dbraw/zinc/85/37/02/571853702.db2.gz PIQGCEHKDKXAIQ-VSGBNLITSA-N 0 0 591.715 4.775 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O ZINC000225483578 571854281 /nfs/dbraw/zinc/85/42/81/571854281.db2.gz SKRJETLPDCHZGU-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O ZINC000225483613 571854320 /nfs/dbraw/zinc/85/43/20/571854320.db2.gz SKRJETLPDCHZGU-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O ZINC000225483652 571854263 /nfs/dbraw/zinc/85/42/63/571854263.db2.gz SKRJETLPDCHZGU-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O ZINC000225483684 571854164 /nfs/dbraw/zinc/85/41/64/571854164.db2.gz SKRJETLPDCHZGU-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483734 571854097 /nfs/dbraw/zinc/85/40/97/571854097.db2.gz OXFQXKMBURJVMJ-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483767 571854331 /nfs/dbraw/zinc/85/43/31/571854331.db2.gz OXFQXKMBURJVMJ-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483807 571854156 /nfs/dbraw/zinc/85/41/56/571854156.db2.gz OXFQXKMBURJVMJ-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483842 571854214 /nfs/dbraw/zinc/85/42/14/571854214.db2.gz OXFQXKMBURJVMJ-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484350 571854757 /nfs/dbraw/zinc/85/47/57/571854757.db2.gz DMJDBLZTBYNQKL-NSOVKSMOSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484383 571854766 /nfs/dbraw/zinc/85/47/66/571854766.db2.gz DMJDBLZTBYNQKL-IZLXSDGUSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484418 571855349 /nfs/dbraw/zinc/85/53/49/571855349.db2.gz DMJDBLZTBYNQKL-WUFINQPMSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484450 571855302 /nfs/dbraw/zinc/85/53/02/571855302.db2.gz DMJDBLZTBYNQKL-VSGBNLITSA-N 0 0 622.729 4.963 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O ZINC000225484659 571855201 /nfs/dbraw/zinc/85/52/01/571855201.db2.gz ODSIQGXYYGIIRP-SVBPBHIXSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O ZINC000225484685 571855254 /nfs/dbraw/zinc/85/52/54/571855254.db2.gz ODSIQGXYYGIIRP-SXOMAYOGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O ZINC000225484722 571855375 /nfs/dbraw/zinc/85/53/75/571855375.db2.gz ODSIQGXYYGIIRP-RRPNLBNLSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O ZINC000225484752 571855320 /nfs/dbraw/zinc/85/53/20/571855320.db2.gz ODSIQGXYYGIIRP-KAYWLYCHSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484806 571855232 /nfs/dbraw/zinc/85/52/32/571855232.db2.gz CPZGHOKTYUQTHE-UIOOFZCWSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484843 571855365 /nfs/dbraw/zinc/85/53/65/571855365.db2.gz CPZGHOKTYUQTHE-FTJBHMTQSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484886 571855368 /nfs/dbraw/zinc/85/53/68/571855368.db2.gz CPZGHOKTYUQTHE-IZZNHLLZSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484925 571855739 /nfs/dbraw/zinc/85/57/39/571855739.db2.gz CPZGHOKTYUQTHE-CLJLJLNGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O ZINC000225484967 571855732 /nfs/dbraw/zinc/85/57/32/571855732.db2.gz MZOBSRVFSFVDBX-SVBPBHIXSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O ZINC000225484999 571855615 /nfs/dbraw/zinc/85/56/15/571855615.db2.gz MZOBSRVFSFVDBX-SXOMAYOGSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O ZINC000225485032 571855706 /nfs/dbraw/zinc/85/57/06/571855706.db2.gz MZOBSRVFSFVDBX-RRPNLBNLSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O ZINC000225485067 571855690 /nfs/dbraw/zinc/85/56/90/571855690.db2.gz MZOBSRVFSFVDBX-KAYWLYCHSA-N 0 0 562.721 4.750 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O ZINC000225493937 571863992 /nfs/dbraw/zinc/86/39/92/571863992.db2.gz AMKZUQPUUQPRSL-UIOOFZCWSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O ZINC000225493973 571863835 /nfs/dbraw/zinc/86/38/35/571863835.db2.gz AMKZUQPUUQPRSL-FTJBHMTQSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O ZINC000225494008 571863893 /nfs/dbraw/zinc/86/38/93/571863893.db2.gz AMKZUQPUUQPRSL-IZZNHLLZSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O ZINC000225494049 571863979 /nfs/dbraw/zinc/86/39/79/571863979.db2.gz AMKZUQPUUQPRSL-CLJLJLNGSA-N 0 0 533.679 4.738 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 ZINC000225494098 571863911 /nfs/dbraw/zinc/86/39/11/571863911.db2.gz DHXVWNKVNQIPSZ-KAYWLYCHSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 ZINC000225494128 571863846 /nfs/dbraw/zinc/86/38/46/571863846.db2.gz DHXVWNKVNQIPSZ-SXOMAYOGSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 ZINC000225494166 571864242 /nfs/dbraw/zinc/86/42/42/571864242.db2.gz DHXVWNKVNQIPSZ-RRPNLBNLSA-N 0 0 563.705 4.747 40 10 KJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 ZINC000225494196 571864153 /nfs/dbraw/zinc/86/41/53/571864153.db2.gz DHXVWNKVNQIPSZ-SVBPBHIXSA-N 0 0 563.705 4.747 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225494396 571864234 /nfs/dbraw/zinc/86/42/34/571864234.db2.gz JAPWHNBTWDLPOM-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225494428 571864358 /nfs/dbraw/zinc/86/43/58/571864358.db2.gz JAPWHNBTWDLPOM-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225494465 571864261 /nfs/dbraw/zinc/86/42/61/571864261.db2.gz JAPWHNBTWDLPOM-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225494505 571864328 /nfs/dbraw/zinc/86/43/28/571864328.db2.gz JAPWHNBTWDLPOM-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225494551 571864394 /nfs/dbraw/zinc/86/43/94/571864394.db2.gz GENMSCLEGRTIII-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225494587 571864198 /nfs/dbraw/zinc/86/41/98/571864198.db2.gz GENMSCLEGRTIII-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225494621 571864421 /nfs/dbraw/zinc/86/44/21/571864421.db2.gz GENMSCLEGRTIII-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225494655 571864409 /nfs/dbraw/zinc/86/44/09/571864409.db2.gz GENMSCLEGRTIII-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225494696 571864389 /nfs/dbraw/zinc/86/43/89/571864389.db2.gz LGJBHCSEQWXFAP-VSGBNLITSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225494728 571864676 /nfs/dbraw/zinc/86/46/76/571864676.db2.gz LGJBHCSEQWXFAP-IZLXSDGUSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225494760 571864806 /nfs/dbraw/zinc/86/48/06/571864806.db2.gz LGJBHCSEQWXFAP-WUFINQPMSA-N 0 0 605.742 4.833 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225494794 571864640 /nfs/dbraw/zinc/86/46/40/571864640.db2.gz LGJBHCSEQWXFAP-NSOVKSMOSA-N 0 0 605.742 4.833 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225497571 571866678 /nfs/dbraw/zinc/86/66/78/571866678.db2.gz XFVHLZAHCFSAOF-FIRIVFDPSA-N 0 0 566.731 4.937 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225497598 571867207 /nfs/dbraw/zinc/86/72/07/571867207.db2.gz XFVHLZAHCFSAOF-JSOSNVBQSA-N 0 0 566.731 4.937 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225497630 571867173 /nfs/dbraw/zinc/86/71/73/571867173.db2.gz XFVHLZAHCFSAOF-IOWSJCHKSA-N 0 0 566.731 4.937 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225497653 571867222 /nfs/dbraw/zinc/86/72/22/571867222.db2.gz XFVHLZAHCFSAOF-CONSDPRKSA-N 0 0 566.731 4.937 40 10 KJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225507864 571879099 /nfs/dbraw/zinc/87/90/99/571879099.db2.gz KZKRZXYMAYNXHC-VSGBNLITSA-N 0 0 525.634 4.829 40 10 KJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225507899 571879014 /nfs/dbraw/zinc/87/90/14/571879014.db2.gz KZKRZXYMAYNXHC-IZLXSDGUSA-N 0 0 525.634 4.829 40 10 KJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225507930 571879258 /nfs/dbraw/zinc/87/92/58/571879258.db2.gz KZKRZXYMAYNXHC-WUFINQPMSA-N 0 0 525.634 4.829 40 10 KJCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000225507956 571879074 /nfs/dbraw/zinc/87/90/74/571879074.db2.gz FNYWDARMJFXVBV-UHFFFAOYSA-N 0 0 513.635 4.582 40 10 KJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225507960 571879251 /nfs/dbraw/zinc/87/92/51/571879251.db2.gz KZKRZXYMAYNXHC-NSOVKSMOSA-N 0 0 525.634 4.829 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225518582 571888203 /nfs/dbraw/zinc/88/82/03/571888203.db2.gz SGNCZEVYYNEDNJ-VSGBNLITSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225518615 571888305 /nfs/dbraw/zinc/88/83/05/571888305.db2.gz SGNCZEVYYNEDNJ-IZLXSDGUSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225518643 571888126 /nfs/dbraw/zinc/88/81/26/571888126.db2.gz SGNCZEVYYNEDNJ-WUFINQPMSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225518677 571888277 /nfs/dbraw/zinc/88/82/77/571888277.db2.gz SGNCZEVYYNEDNJ-NSOVKSMOSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225518721 571888298 /nfs/dbraw/zinc/88/82/98/571888298.db2.gz TWLPZWUYBFRITR-VSGBNLITSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225518754 571888103 /nfs/dbraw/zinc/88/81/03/571888103.db2.gz TWLPZWUYBFRITR-IZLXSDGUSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225518787 571888108 /nfs/dbraw/zinc/88/81/08/571888108.db2.gz TWLPZWUYBFRITR-WUFINQPMSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225518824 571888281 /nfs/dbraw/zinc/88/82/81/571888281.db2.gz TWLPZWUYBFRITR-NSOVKSMOSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225518863 571888322 /nfs/dbraw/zinc/88/83/22/571888322.db2.gz UKYWHQVMSWYOOU-VSGBNLITSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225518898 571888099 /nfs/dbraw/zinc/88/80/99/571888099.db2.gz UKYWHQVMSWYOOU-IZLXSDGUSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225518935 571888325 /nfs/dbraw/zinc/88/83/25/571888325.db2.gz UKYWHQVMSWYOOU-WUFINQPMSA-N 0 0 539.661 4.887 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225518971 571888269 /nfs/dbraw/zinc/88/82/69/571888269.db2.gz UKYWHQVMSWYOOU-NSOVKSMOSA-N 0 0 539.661 4.887 40 10 KJCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000225529874 571896923 /nfs/dbraw/zinc/89/69/23/571896923.db2.gz PWDGAAJDGRIBPR-UHFFFAOYSA-N 0 0 530.488 4.807 40 10 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KJCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260839100 571742406 /nfs/dbraw/zinc/74/24/06/571742406.db2.gz IFKSXSJPZQXSLL-JKSUJKDBSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841223 571743958 /nfs/dbraw/zinc/74/39/58/571743958.db2.gz KTDVWHSKIPWFJL-HOTGVXAUSA-N 0 0 520.080 4.720 40 10 KJCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841226 571743943 /nfs/dbraw/zinc/74/39/43/571743943.db2.gz KTDVWHSKIPWFJL-JKSUJKDBSA-N 0 0 520.080 4.720 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C ZINC000260916214 571848114 /nfs/dbraw/zinc/84/81/14/571848114.db2.gz IAZMVJXHNSTAQH-BTZRARBUSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C ZINC000260916220 571847953 /nfs/dbraw/zinc/84/79/53/571847953.db2.gz IAZMVJXHNSTAQH-UKDVSSAZSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C ZINC000260918006 571851510 /nfs/dbraw/zinc/85/15/10/571851510.db2.gz KMVLBIXARHLRLT-BTZRARBUSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C ZINC000260918009 571851591 /nfs/dbraw/zinc/85/15/91/571851591.db2.gz KMVLBIXARHLRLT-UKDVSSAZSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000260922627 571859786 /nfs/dbraw/zinc/85/97/86/571859786.db2.gz QPYAQVSEGGCOJE-BTZRARBUSA-N 0 0 507.616 4.557 40 10 KJCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c([N+](=O)[O-])c1 ZINC000260922628 571859867 /nfs/dbraw/zinc/85/98/67/571859867.db2.gz QPYAQVSEGGCOJE-UKDVSSAZSA-N 0 0 507.616 4.557 40 10 KJCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 ZINC000260924156 571862213 /nfs/dbraw/zinc/86/22/13/571862213.db2.gz RWPWWBMZYSPQQL-DQEYMECFSA-N 0 0 512.123 4.671 40 10 KJCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 ZINC000260924160 571862267 /nfs/dbraw/zinc/86/22/67/571862267.db2.gz RWPWWBMZYSPQQL-LOSJGSFVSA-N 0 0 512.123 4.671 40 10 KJCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 ZINC000260924164 571862378 /nfs/dbraw/zinc/86/23/78/571862378.db2.gz RWPWWBMZYSPQQL-RPBOFIJWSA-N 0 0 512.123 4.671 40 10 KJCBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(CC)CC)cc1OC ZINC000261365939 572108376 /nfs/dbraw/zinc/10/83/76/572108376.db2.gz WIYKUGFVYCQKPW-AREMUKBSSA-O 0 0 508.668 4.797 40 10 KJCBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(CC)CC)cc1OC ZINC000261365940 572108451 /nfs/dbraw/zinc/10/84/51/572108451.db2.gz WIYKUGFVYCQKPW-SANMLTNESA-O 0 0 508.668 4.797 40 10 KJCBRN Nc1ccc(OCCCCCC(=O)COCOCCOC(=O)CCCCCOc2ccc(N)cc2)cc1 ZINC000263583676 572114408 /nfs/dbraw/zinc/11/44/08/572114408.db2.gz SSYNRWSVDJTKOI-UHFFFAOYSA-N 0 0 516.635 4.533 40 10 KJCBRN CC[C@H](C(C)=O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000299754557 572134229 /nfs/dbraw/zinc/13/42/29/572134229.db2.gz PAPDLLDOJZNOKV-BLEVWTKPSA-N 0 0 698.775 4.781 40 10 KJCBRN COc1cc(N2N=C(C)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)ccc1Cl ZINC000408526341 572157730 /nfs/dbraw/zinc/15/77/30/572157730.db2.gz BAXUHHJXGOWIJQ-FXBPSFAMSA-N 0 0 558.042 4.976 40 10 KJCBRN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408526398 572157751 /nfs/dbraw/zinc/15/77/51/572157751.db2.gz BVKPLMKIGGJSDL-VKAVYKQESA-N 0 0 513.429 4.893 40 10 KJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000408527097 572159316 /nfs/dbraw/zinc/15/93/16/572159316.db2.gz DYZFOWBWWPCEDV-WQRHYEAKSA-N 0 0 523.774 4.971 40 10 KJCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000408527360 572159790 /nfs/dbraw/zinc/15/97/90/572159790.db2.gz DJRLCSIHNRYXKC-GAIMPGTQSA-N 0 0 500.599 4.992 40 10 KJCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000408527365 572159815 /nfs/dbraw/zinc/15/98/15/572159815.db2.gz DJRLCSIHNRYXKC-VJSWYXIJSA-N 0 0 500.599 4.992 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408527428 572160174 /nfs/dbraw/zinc/16/01/74/572160174.db2.gz ALRVXRJTWVEDCW-CHHVJCJISA-N 0 0 573.346 4.787 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408527571 572160973 /nfs/dbraw/zinc/16/09/73/572160973.db2.gz AXUGMAIYCYAHOR-OCKHKDLRSA-N 0 0 613.861 4.776 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)S1 ZINC000408527696 572161573 /nfs/dbraw/zinc/16/15/73/572161573.db2.gz BJKCPFCBASHHMB-LSCVHKIXSA-N 0 0 522.808 4.535 40 10 KJCBRN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408528004 572162354 /nfs/dbraw/zinc/16/23/54/572162354.db2.gz DUGGODUAMNPMBZ-NKFKGCMQSA-N 0 0 521.625 4.930 40 10 KJCBRN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408528141 572163277 /nfs/dbraw/zinc/16/32/77/572163277.db2.gz FIJFIXHYCLEMJC-QQTULTPQSA-N 0 0 549.679 4.539 40 10 KJCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408528404 572164473 /nfs/dbraw/zinc/16/44/73/572164473.db2.gz FZDQWRAPFFSDAV-XLNRJJMWSA-N 0 0 528.016 4.967 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)S1 ZINC000408528828 572166044 /nfs/dbraw/zinc/16/60/44/572166044.db2.gz FLZDWULFKDDWPV-IUXPMGMMSA-N 0 0 567.259 4.644 40 10 KJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408529054 572166521 /nfs/dbraw/zinc/16/65/21/572166521.db2.gz GTNIRDBRDXAGRC-NVNXTCNLSA-N 0 0 501.342 4.507 40 10 KJCBRN COc1cc(N2N=C(C)/C(=C/NN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)ccc1Cl ZINC000408529144 572167330 /nfs/dbraw/zinc/16/73/30/572167330.db2.gz IKDYUQICVODNHJ-BOPFTXTBSA-N 0 0 539.773 4.672 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000408529230 572167443 /nfs/dbraw/zinc/16/74/43/572167443.db2.gz ITANZIGZHLXVJH-QNGOZBTKSA-N 0 0 517.449 4.651 40 10 KJCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408529261 572167263 /nfs/dbraw/zinc/16/72/63/572167263.db2.gz HICXDUJRMUHSPS-NKFKGCMQSA-N 0 0 507.598 4.622 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408529943 572169805 /nfs/dbraw/zinc/16/98/05/572169805.db2.gz IHCGWXOINYMCEP-CLCOLTQESA-N 0 0 614.548 4.993 40 10 KJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408529992 572170557 /nfs/dbraw/zinc/17/05/57/572170557.db2.gz JXSCKKDPTSSOPY-IUXPMGMMSA-N 0 0 551.331 4.563 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408530086 572170947 /nfs/dbraw/zinc/17/09/47/572170947.db2.gz KMYCJWHTOCDKCL-OCKHKDLRSA-N 0 0 522.410 4.824 40 10 KJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408530490 572171752 /nfs/dbraw/zinc/17/17/52/572171752.db2.gz IZAHLEMQVVSTIW-CLCOLTQESA-N 0 0 570.097 4.884 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408530511 572171787 /nfs/dbraw/zinc/17/17/87/572171787.db2.gz MAPXVPQETOECNT-SXGWCWSVSA-N 0 0 515.369 4.897 40 10 KJCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C=C2SC(=S)NC2=O)cc1 ZINC000408530513 572171688 /nfs/dbraw/zinc/17/16/88/572171688.db2.gz MBIPPIKVOIGKDI-AUWJEWJLSA-N 0 0 549.287 4.777 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408530553 572172372 /nfs/dbraw/zinc/17/23/72/572172372.db2.gz MITYBEONCMCRHE-JLPGSUDCSA-N 0 0 513.546 4.938 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408530816 572173564 /nfs/dbraw/zinc/17/35/64/572173564.db2.gz NMYMDZWEDVVKAO-SXGWCWSVSA-N 0 0 515.369 4.897 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408531100 572174409 /nfs/dbraw/zinc/17/44/09/572174409.db2.gz NEKWYMJUWDYUME-CYVLTUHYSA-N 0 0 551.489 4.965 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)S1 ZINC000408531128 572174383 /nfs/dbraw/zinc/17/43/83/572174383.db2.gz OKIFTYKKJZYDOP-LSCVHKIXSA-N 0 0 522.808 4.535 40 10 KJCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408531247 572175156 /nfs/dbraw/zinc/17/51/56/572175156.db2.gz OYLUZKPQZRLTMT-LSCVHKIXSA-N 0 0 552.834 4.543 40 10 KJCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408532032 572178208 /nfs/dbraw/zinc/17/82/08/572178208.db2.gz PLSIBWKPVCYVRT-XLNRJJMWSA-N 0 0 619.467 4.918 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408532153 572178715 /nfs/dbraw/zinc/17/87/15/572178715.db2.gz SNVTUBANBHNEMP-YVLHZVERSA-N 0 0 507.431 4.663 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)S1 ZINC000408532795 572180958 /nfs/dbraw/zinc/18/09/58/572180958.db2.gz VXXSROMAAMZNOJ-MFOYZWKCSA-N 0 0 567.259 4.644 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408533118 572182143 /nfs/dbraw/zinc/18/21/43/572182143.db2.gz OCUQPLVORXODPU-VBKFSLOCSA-N 0 0 509.408 4.967 40 10 KJCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408533272 572182546 /nfs/dbraw/zinc/18/25/46/572182546.db2.gz OIEOGKVOPZKRHQ-CLCOLTQESA-N 0 0 647.521 4.527 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408533302 572182727 /nfs/dbraw/zinc/18/27/27/572182727.db2.gz XWVGLDFLTIFQTO-OCKHKDLRSA-N 0 0 566.861 4.934 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408533393 572183299 /nfs/dbraw/zinc/18/32/99/572183299.db2.gz SAMSZEUIBJOIKP-CYVLTUHYSA-N 0 0 537.462 4.657 40 10 KJCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408533586 572183982 /nfs/dbraw/zinc/18/39/82/572183982.db2.gz SZPZZOYRLSAMKW-LGMDPLHJSA-N 0 0 542.381 4.582 40 10 KJCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000408533701 572184390 /nfs/dbraw/zinc/18/43/90/572184390.db2.gz OVDAOALRYHJSEC-QNGOZBTKSA-N 0 0 517.449 4.651 40 10 KJCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408533818 572184427 /nfs/dbraw/zinc/18/44/27/572184427.db2.gz PDWGNHDGKNTCGT-OOAXWGSJSA-N 0 0 580.733 4.900 40 10 KJCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408533865 572184819 /nfs/dbraw/zinc/18/48/19/572184819.db2.gz PJYAGEUZULBZJA-CLCOLTQESA-N 0 0 556.070 4.576 40 10 KJCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408534359 572186120 /nfs/dbraw/zinc/18/61/20/572186120.db2.gz QPJJOVPIVICHHR-CYVLTUHYSA-N 0 0 537.462 4.657 40 10 KJCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408534961 572187518 /nfs/dbraw/zinc/18/75/18/572187518.db2.gz RWRGEUQODRJEEY-CLCOLTQESA-N 0 0 600.521 4.685 40 10 KJCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408535156 572187801 /nfs/dbraw/zinc/18/78/01/572187801.db2.gz XTZYPQSIEKJKLS-NKFKGCMQSA-N 0 0 507.598 4.622 40 10 KJCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408535879 572189715 /nfs/dbraw/zinc/18/97/15/572189715.db2.gz UJEGVGLBBVYBQD-QOMWVZHYSA-N 0 0 549.679 4.539 40 10 KJCBRN COc1cc(N2N=C(C)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408535905 572189602 /nfs/dbraw/zinc/18/96/02/572189602.db2.gz UNWNCWBMKJORDC-NMWGTECJSA-N 0 0 586.096 4.584 40 10 KJCBRN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc21 ZINC000408536357 572191145 /nfs/dbraw/zinc/19/11/45/572191145.db2.gz YYKYXLWHWZZABK-SOFYXZRVSA-N 0 0 539.820 4.607 40 10 KJCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000408536604 572191809 /nfs/dbraw/zinc/19/18/09/572191809.db2.gz WUNUNZGVLGTTRV-NDENLUEZSA-N 0 0 529.394 4.725 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536690 572192223 /nfs/dbraw/zinc/19/22/23/572192223.db2.gz AIYPOLWDDSPHEL-UHFFFAOYSA-N 0 0 597.487 4.929 40 10 KJCBRN COc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537204 572193678 /nfs/dbraw/zinc/19/36/78/572193678.db2.gz CTCOEERUCKUFAK-UHFFFAOYSA-N 0 0 583.460 4.539 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537407 572194451 /nfs/dbraw/zinc/19/44/51/572194451.db2.gz DRQVTGYZOFINTR-UHFFFAOYSA-N 0 0 532.618 4.556 40 10 KJCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408537410 572194160 /nfs/dbraw/zinc/19/41/60/572194160.db2.gz DSSLNIVTVRRLHY-RAXLEYEMSA-N 0 0 507.809 4.622 40 10 KJCBRN CCOc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408538082 572197068 /nfs/dbraw/zinc/19/70/68/572197068.db2.gz IVNZAMBQGSJLNS-UHFFFAOYSA-N 0 0 523.010 4.811 40 10 KJCBRN COc1cc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408539106 572201070 /nfs/dbraw/zinc/20/10/70/572201070.db2.gz SUXNKKJYSIMHTB-UHFFFAOYSA-N 0 0 553.434 4.530 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539669 572202865 /nfs/dbraw/zinc/20/28/65/572202865.db2.gz XXGSXGDISUZCNA-UHFFFAOYSA-N 0 0 553.036 4.820 40 10 KJCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539732 572203398 /nfs/dbraw/zinc/20/33/98/572203398.db2.gz YIXPPXJHGQKUMX-UHFFFAOYSA-N 0 0 597.487 4.929 40 10 KJCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539866 572203834 /nfs/dbraw/zinc/20/38/34/572203834.db2.gz ZQABDHSFLHEGQN-UHFFFAOYSA-N 0 0 553.036 4.820 40 10 KJCBRN CCOc1cc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408539898 572203737 /nfs/dbraw/zinc/20/37/37/572203737.db2.gz ZVYOBSYQCMPPRZ-UHFFFAOYSA-N 0 0 567.461 4.920 40 10 KJCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540098 572204695 /nfs/dbraw/zinc/20/46/95/572204695.db2.gz MZUQNUWNJOPBJX-CVKSISIWSA-N 0 0 518.591 4.968 40 10 KJCBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000408549763 572232352 /nfs/dbraw/zinc/23/23/52/572232352.db2.gz YNQCVSSFBVHMQM-YDZHTSKRSA-N 0 0 538.398 4.501 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408550107 572233523 /nfs/dbraw/zinc/23/35/23/572233523.db2.gz DPOJFLXWDOTIRH-VXLYETTFSA-N 0 0 506.397 4.654 40 10 KJCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550334 572233886 /nfs/dbraw/zinc/23/38/86/572233886.db2.gz CWGZESNTFCHXJV-REZTVBANSA-N 0 0 528.801 4.779 40 10 KJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550416 572234137 /nfs/dbraw/zinc/23/41/37/572234137.db2.gz DRIFWYGYDWVURH-DJKKODMXSA-N 0 0 508.383 4.516 40 10 KJCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552175 572237629 /nfs/dbraw/zinc/23/76/29/572237629.db2.gz OYHADBXKMMDQKO-REZTVBANSA-N 0 0 620.252 4.731 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000408552249 572238267 /nfs/dbraw/zinc/23/82/67/572238267.db2.gz IKHBXHOPWCCBHI-REZTVBANSA-N 0 0 543.226 4.880 40 10 KJCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553324 572240246 /nfs/dbraw/zinc/24/02/46/572240246.db2.gz NWELTCAATYQHTE-REZTVBANSA-N 0 0 573.252 4.888 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)S1 ZINC000408554184 572241701 /nfs/dbraw/zinc/24/17/01/572241701.db2.gz QOWRSDGDVIHXAN-REZTVBANSA-N 0 0 543.226 4.880 40 10 KJCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4Cl)c3)CC2)cc1 ZINC000408555453 572243045 /nfs/dbraw/zinc/24/30/45/572243045.db2.gz AWJYFJSYQOVPJD-UHFFFAOYSA-N 0 0 550.464 4.774 40 10 KJCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 ZINC000408555639 572243042 /nfs/dbraw/zinc/24/30/42/572243042.db2.gz GRNXIPPNDKRZMA-UHFFFAOYSA-N 0 0 550.464 4.530 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557254 572244705 /nfs/dbraw/zinc/24/47/05/572244705.db2.gz GALUSOKRJJBMLX-UHFFFAOYSA-N 0 0 530.046 4.511 40 10 KJCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000408560018 572247166 /nfs/dbraw/zinc/24/71/66/572247166.db2.gz OCFPJBDALXCJPV-UHFFFAOYSA-N 0 0 550.464 4.530 40 10 KJCBRN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408561696 572248379 /nfs/dbraw/zinc/24/83/79/572248379.db2.gz VFTABTIJHZGFPH-UHFFFAOYSA-N 0 0 530.046 4.511 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000408572075 572257569 /nfs/dbraw/zinc/25/75/69/572257569.db2.gz FDQJNWXPMPPEOP-IWIPYMOSSA-N 0 0 504.633 4.792 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000408572336 572257780 /nfs/dbraw/zinc/25/77/80/572257780.db2.gz GGZLOAIRXKVXIX-UCQKPKSFSA-N 0 0 508.596 4.935 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408587097 572266370 /nfs/dbraw/zinc/26/63/70/572266370.db2.gz BIUANHNUDGECBR-UHFFFAOYSA-N 0 0 577.625 4.575 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408593952 572269411 /nfs/dbraw/zinc/26/94/11/572269411.db2.gz PAPOYNOXQCLRRI-UHFFFAOYSA-N 0 0 578.518 4.863 40 10 KJCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408601151 572272828 /nfs/dbraw/zinc/27/28/28/572272828.db2.gz ITVGELVALCUJMM-UHFFFAOYSA-N 0 0 530.602 4.774 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)OC(C)C ZINC000408602944 572273498 /nfs/dbraw/zinc/27/34/98/572273498.db2.gz PDUZBBCNDBVJLJ-JAIQZWGSSA-N 0 0 535.043 4.534 40 10 KJCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3Cl)CC2)cc1 ZINC000408604920 572274277 /nfs/dbraw/zinc/27/42/77/572274277.db2.gz MEKOCFSFBAHWMA-UHFFFAOYSA-N 0 0 584.016 4.896 40 10 KJCBRN CCN(CC)c1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)c(OCc2ccc(I)cc2)c1 ZINC000408606835 572275063 /nfs/dbraw/zinc/27/50/63/572275063.db2.gz QYFXITUORRLGLL-XYOKQWHBSA-N 0 0 562.364 4.996 40 10 KJCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3Cl)CC2)cc1 ZINC000408635654 572292742 /nfs/dbraw/zinc/29/27/42/572292742.db2.gz GSMOKBHBOPUZHL-UHFFFAOYSA-N 0 0 550.464 4.530 40 10 KJCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)CC2)cc1 ZINC000408636123 572293038 /nfs/dbraw/zinc/29/30/38/572293038.db2.gz LJIFHBDARQKWAU-UHFFFAOYSA-N 0 0 533.572 4.786 40 10 KJCBRN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408686901 1066518493 /nfs/dbraw/zinc/51/84/93/1066518493.db2.gz NTOWDXBKPWWEGQ-KWXIBIRDSA-N 0 0 524.573 4.523 40 10 KJCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408686903 1066518362 /nfs/dbraw/zinc/51/83/62/1066518362.db2.gz NTOWDXBKPWWEGQ-PFBJBMPXSA-N 0 0 524.573 4.523 40 10 KJCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408686905 1066518460 /nfs/dbraw/zinc/51/84/60/1066518460.db2.gz NTOWDXBKPWWEGQ-QKDODKLFSA-N 0 0 524.573 4.523 40 10 KJCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408686907 1066518436 /nfs/dbraw/zinc/51/84/36/1066518436.db2.gz NTOWDXBKPWWEGQ-VJGNERBWSA-N 0 0 524.573 4.523 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408711038 1066558536 /nfs/dbraw/zinc/55/85/36/1066558536.db2.gz OXYFVYLABYSJKO-UHFFFAOYSA-N 0 0 578.518 4.863 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408711075 1066558608 /nfs/dbraw/zinc/55/86/08/1066558608.db2.gz WSIPFLILGJOSFG-UHFFFAOYSA-N 0 0 558.100 4.518 40 10 KJCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5ccc(OC)c(OC)c5)ccc4s3)CC2)cc1 ZINC000408713546 1066553474 /nfs/dbraw/zinc/55/34/74/1066553474.db2.gz CRFFVNOVIDEHRH-UHFFFAOYSA-N 0 0 581.716 4.715 40 10 KJCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5ccc(F)cc5)ccc4s3)CC2)cc1 ZINC000408713630 1066552967 /nfs/dbraw/zinc/55/29/67/1066552967.db2.gz SZGPINBGTQOIPB-UHFFFAOYSA-N 0 0 539.654 4.837 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408718961 1066562335 /nfs/dbraw/zinc/56/23/35/1066562335.db2.gz YIHHKXDINZXJNI-GTWFGUSFSA-N 0 0 639.515 4.729 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408718963 1066562363 /nfs/dbraw/zinc/56/23/63/1066562363.db2.gz YIHHKXDINZXJNI-SJJVXOANSA-N 0 0 639.515 4.729 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408724606 1066560824 /nfs/dbraw/zinc/56/08/24/1066560824.db2.gz AEJJSUQIJJXSSB-MKWGYRPRSA-N 0 0 532.065 4.859 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408724608 1066560653 /nfs/dbraw/zinc/56/06/53/1066560653.db2.gz AEJJSUQIJJXSSB-OCEWKHMESA-N 0 0 532.065 4.859 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408725441 1066559985 /nfs/dbraw/zinc/55/99/85/1066559985.db2.gz GMVLOCJZRGTOMR-BOPFTXTBSA-N 0 0 525.389 4.740 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408726451 1066559466 /nfs/dbraw/zinc/55/94/66/1066559466.db2.gz NRQJRMUOWAAQAX-JBDHCHCMSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408726456 1066559489 /nfs/dbraw/zinc/55/94/89/1066559489.db2.gz NRQJRMUOWAAQAX-PIXWUVMMSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727694 1066570997 /nfs/dbraw/zinc/57/09/97/1066570997.db2.gz VXSPNUNYZFIMSG-HTCWZNLXSA-N 0 0 606.542 4.789 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727697 1066570917 /nfs/dbraw/zinc/57/09/17/1066570917.db2.gz VXSPNUNYZFIMSG-WWFXOLRUSA-N 0 0 606.542 4.789 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(N(C)C)cc1 ZINC000408730248 1066569323 /nfs/dbraw/zinc/56/93/23/1066569323.db2.gz GFMIRVKGCGUVEE-DDIUQFJASA-N 0 0 642.734 4.859 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000408730249 1066569269 /nfs/dbraw/zinc/56/92/69/1066569269.db2.gz GFMIRVKGCGUVEE-IMUCPKNRSA-N 0 0 642.734 4.859 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408730270 1066568801 /nfs/dbraw/zinc/56/88/01/1066568801.db2.gz GQWYRWDNRKZNLI-HVDVVURSSA-N 0 0 597.737 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408730271 1066568706 /nfs/dbraw/zinc/56/87/06/1066568706.db2.gz GQWYRWDNRKZNLI-WOSHRIRTSA-N 0 0 597.737 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408730795 1066568299 /nfs/dbraw/zinc/56/82/99/1066568299.db2.gz IQKSIOPNXBGLHF-JLKMOJGBSA-N 0 0 583.710 4.561 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408730798 1066568317 /nfs/dbraw/zinc/56/83/17/1066568317.db2.gz IQKSIOPNXBGLHF-UNDLXJOSSA-N 0 0 583.710 4.561 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730917 1066567961 /nfs/dbraw/zinc/56/79/61/1066567961.db2.gz VVCAPCXVFNLFSB-ASZNLBCTSA-N 0 0 586.670 4.813 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730918 1066567952 /nfs/dbraw/zinc/56/79/52/1066567952.db2.gz VVCAPCXVFNLFSB-YNMQQHPQSA-N 0 0 586.670 4.813 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731631 1066567416 /nfs/dbraw/zinc/56/74/16/1066567416.db2.gz OFBITSDHXXLIGA-OIUASMPBSA-N 0 0 642.734 4.859 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731632 1066567354 /nfs/dbraw/zinc/56/73/54/1066567354.db2.gz OFBITSDHXXLIGA-QQMBNGEASA-N 0 0 642.734 4.859 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@H]1c1ccc(N(C)C)cc1 ZINC000408732542 1066566464 /nfs/dbraw/zinc/56/64/64/1066566464.db2.gz WPCNHJHDXPMFKC-DEDRDRDXSA-N 0 0 597.737 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000408732543 1066566535 /nfs/dbraw/zinc/56/65/35/1066566535.db2.gz WPCNHJHDXPMFKC-ITNAUSPISA-N 0 0 597.737 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734278 1066565162 /nfs/dbraw/zinc/56/51/62/1066565162.db2.gz WCSYRRFTCKQAMO-QARYAGPDSA-N 0 0 593.061 4.686 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408734279 1066565242 /nfs/dbraw/zinc/56/52/42/1066565242.db2.gz WCSYRRFTCKQAMO-ZSJKCPIUSA-N 0 0 593.061 4.686 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734430 1066564720 /nfs/dbraw/zinc/56/47/20/1066564720.db2.gz GKHGQPAQOLHTIP-JLKMOJGBSA-N 0 0 630.723 4.911 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734435 1066565112 /nfs/dbraw/zinc/56/51/12/1066565112.db2.gz GKHGQPAQOLHTIP-UNDLXJOSSA-N 0 0 630.723 4.911 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000408735416 1066564369 /nfs/dbraw/zinc/56/43/69/1066564369.db2.gz PTAUOPHUMJIBCD-YTFSRNRJSA-N 0 0 564.377 4.865 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000408735420 1066564300 /nfs/dbraw/zinc/56/43/00/1066564300.db2.gz PTAUOPHUMJIBCD-ZRBLBEILSA-N 0 0 564.377 4.865 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738249 1066573194 /nfs/dbraw/zinc/57/31/94/1066573194.db2.gz JNBCQTMPUUVXJD-FHMSYZJOSA-N 0 0 541.673 4.605 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738252 1066573158 /nfs/dbraw/zinc/57/31/58/1066573158.db2.gz JNBCQTMPUUVXJD-OXWVMCNISA-N 0 0 541.673 4.605 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738382 1066572774 /nfs/dbraw/zinc/57/27/74/1066572774.db2.gz KLDMFEBMDIBDRO-HDFSHUSISA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738386 1066572824 /nfs/dbraw/zinc/57/28/24/1066572824.db2.gz KLDMFEBMDIBDRO-LAUBZIAYSA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738591 1066572651 /nfs/dbraw/zinc/57/26/51/1066572651.db2.gz MGSZZQFBCONPJH-HDFSHUSISA-N 0 0 571.699 4.613 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738592 1066572729 /nfs/dbraw/zinc/57/27/29/1066572729.db2.gz MGSZZQFBCONPJH-LAUBZIAYSA-N 0 0 571.699 4.613 40 10 KJCBRN CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I ZINC000408740235 1066576264 /nfs/dbraw/zinc/57/62/64/1066576264.db2.gz APWOUNOGLMYBSU-VIZOYTHASA-N 0 0 524.694 4.777 40 10 KJCBRN COc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408741232 1066574809 /nfs/dbraw/zinc/57/48/09/1066574809.db2.gz HQSNMKIVVLLOEV-WUXMJOGZSA-N 0 0 528.096 4.952 40 10 KJCBRN CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1I ZINC000408741982 1066575136 /nfs/dbraw/zinc/57/51/36/1066575136.db2.gz MFNQNBRIEKBJLT-VIZOYTHASA-N 0 0 569.145 4.886 40 10 KJCBRN CNc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408742137 1066574399 /nfs/dbraw/zinc/57/43/99/1066574399.db2.gz POKRAMJDQMVUMV-RIYZIHGNSA-N 0 0 543.146 4.744 40 10 KJCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OC(C)=O)c(I)c3)C(=O)O2)cc1 ZINC000408742330 1066574322 /nfs/dbraw/zinc/57/43/22/1066574322.db2.gz OIVSADJRGGUTQX-VGOFMYFVSA-N 0 0 588.135 4.811 40 10 KJCBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OC(C)=O)c(I)c3)C(=O)O2)cc1 ZINC000408742967 1066573806 /nfs/dbraw/zinc/57/38/06/1066573806.db2.gz QVMWPHBNPIVBNM-VGOFMYFVSA-N 0 0 541.135 4.969 40 10 KJCBRN CNc1c(I)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1I ZINC000408742987 1066573774 /nfs/dbraw/zinc/57/37/74/1066573774.db2.gz QYUIOMCFHFTZGL-NTUHNPAUSA-N 0 0 559.141 4.927 40 10 KJCBRN COc1ccc(C2=C/C(=C\c3cc(I)cc(I)c3OC(C)=O)C(=O)O2)cc1 ZINC000408743751 1066573577 /nfs/dbraw/zinc/57/35/77/1066573577.db2.gz UWZMAIXNBRDMNI-VGOFMYFVSA-N 0 0 588.135 4.811 40 10 KJCBRN COc1ccc(C2=C/C(=C/c3cc(Br)cc(I)c3OC(C)=O)C(=O)O2)cc1 ZINC000408743901 1066573543 /nfs/dbraw/zinc/57/35/43/1066573543.db2.gz VXHRHUOYKJOBMZ-AUWJEWJLSA-N 0 0 541.135 4.969 40 10 KJCBRN CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408744105 1066573679 /nfs/dbraw/zinc/57/36/79/1066573679.db2.gz WSEYSDPUYYEVQL-AWNIVKPZSA-N 0 0 556.106 4.869 40 10 KJCBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408744182 1066573055 /nfs/dbraw/zinc/57/30/55/1066573055.db2.gz ZABVMSYUDSYYRV-CIAFOILYSA-N 0 0 511.388 4.777 40 10 KJCBRN CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408744527 1066573223 /nfs/dbraw/zinc/57/32/23/1066573223.db2.gz YIYLGPGQSYMTMQ-AWNIVKPZSA-N 0 0 511.655 4.759 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408752714 1066580331 /nfs/dbraw/zinc/58/03/31/1066580331.db2.gz GHRKJZJNDRYPAL-CBPRFPNYSA-N 0 0 597.737 4.799 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408752718 1066580145 /nfs/dbraw/zinc/58/01/45/1066580145.db2.gz GHRKJZJNDRYPAL-ZRYJBNJPSA-N 0 0 597.737 4.799 40 10 KJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C ZINC000408755233 1066577778 /nfs/dbraw/zinc/57/77/78/1066577778.db2.gz CBUAPLUUOJUHLO-MTJSOVHGSA-N 0 0 527.322 4.808 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408755374 1066577677 /nfs/dbraw/zinc/57/76/77/1066577677.db2.gz NDMGKIDKVOECTB-LLXISZFLSA-N 0 0 627.763 4.808 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408755378 1066577836 /nfs/dbraw/zinc/57/78/36/1066577836.db2.gz NDMGKIDKVOECTB-PLNPHXOGSA-N 0 0 627.763 4.808 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408755682 1066577639 /nfs/dbraw/zinc/57/76/39/1066577639.db2.gz LPVNVNLQYSNQAC-LBAFKOQDSA-N 0 0 537.685 4.782 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408755683 1066577822 /nfs/dbraw/zinc/57/78/22/1066577822.db2.gz LPVNVNLQYSNQAC-PTEGUGEESA-N 0 0 537.685 4.782 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000408756233 1066577375 /nfs/dbraw/zinc/57/73/75/1066577375.db2.gz OVSZNAVNSTWGJX-LBLGWMPZSA-N 0 0 567.711 4.790 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1 ZINC000408756234 1066577354 /nfs/dbraw/zinc/57/73/54/1066577354.db2.gz OVSZNAVNSTWGJX-ZUXOAJPSSA-N 0 0 567.711 4.790 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408757799 1066585482 /nfs/dbraw/zinc/58/54/82/1066585482.db2.gz CFCIUYVYUVOUEX-FHJMOKKUSA-N 0 0 567.711 4.790 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408757800 1066585236 /nfs/dbraw/zinc/58/52/36/1066585236.db2.gz CFCIUYVYUVOUEX-ODRZPYGQSA-N 0 0 567.711 4.790 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408759363 1066584740 /nfs/dbraw/zinc/58/47/40/1066584740.db2.gz CTTVMPNIHLHCGL-KUSDHMTMSA-N 0 0 613.736 4.505 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408759364 1066584865 /nfs/dbraw/zinc/58/48/65/1066584865.db2.gz CTTVMPNIHLHCGL-POKSHJSXSA-N 0 0 613.736 4.505 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408760528 1066584300 /nfs/dbraw/zinc/58/43/00/1066584300.db2.gz AFBUQNJQOFEMAW-CBPRFPNYSA-N 0 0 597.737 4.799 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408760529 1066584164 /nfs/dbraw/zinc/58/41/64/1066584164.db2.gz AFBUQNJQOFEMAW-ZRYJBNJPSA-N 0 0 597.737 4.799 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408761834 1066589030 /nfs/dbraw/zinc/58/90/30/1066589030.db2.gz BTILDWJKXRNGLT-FQWZWQHVSA-N 0 0 648.579 4.781 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408761841 1066589287 /nfs/dbraw/zinc/58/92/87/1066589287.db2.gz BTILDWJKXRNGLT-LRUGRNCASA-N 0 0 648.579 4.781 40 10 KJCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C=C3SC(=S)NC3=O)cc2Br)cc1 ZINC000408762322 1066589238 /nfs/dbraw/zinc/58/92/38/1066589238.db2.gz DPKICYQAPGINLJ-ZSOIEALJSA-N 0 0 549.287 4.777 40 10 KJCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408763453 1066587942 /nfs/dbraw/zinc/58/79/42/1066587942.db2.gz FKNPKWSKVYRCFQ-UHFFFAOYSA-N 0 0 530.484 4.728 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)S1 ZINC000408765317 1066586871 /nfs/dbraw/zinc/58/68/71/1066586871.db2.gz LCQYESNBGHCUTM-SXGWCWSVSA-N 0 0 510.207 4.897 40 10 KJCBRN O=C1C(=Cc2ccc(I)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408765323 1066587065 /nfs/dbraw/zinc/58/70/65/1066587065.db2.gz PBVIWUUMBZHZAN-UHFFFAOYSA-N 0 0 500.317 4.633 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408765802 1066587121 /nfs/dbraw/zinc/58/71/21/1066587121.db2.gz BLXMJLOZIRKYJZ-CVXGXVHTSA-N 0 0 552.700 4.729 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408765807 1066586847 /nfs/dbraw/zinc/58/68/47/1066586847.db2.gz BLXMJLOZIRKYJZ-ZIRCPPMYSA-N 0 0 552.700 4.729 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408767759 1066597197 /nfs/dbraw/zinc/59/71/97/1066597197.db2.gz GVVAPVCTXFIURC-JLKMOJGBSA-N 0 0 537.685 4.879 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408767760 1066597359 /nfs/dbraw/zinc/59/73/59/1066597359.db2.gz GVVAPVCTXFIURC-UNDLXJOSSA-N 0 0 537.685 4.879 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408768018 1066596821 /nfs/dbraw/zinc/59/68/21/1066596821.db2.gz RZTVTTFGFYJKRK-GBIJUZDQSA-N 0 0 571.674 4.627 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408768023 1066596931 /nfs/dbraw/zinc/59/69/31/1066596931.db2.gz RZTVTTFGFYJKRK-JQTKYWOZSA-N 0 0 571.674 4.627 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408768273 1066596696 /nfs/dbraw/zinc/59/66/96/1066596696.db2.gz DOXSNLTWLWOIOT-ONUIUJJFSA-N 0 0 512.562 4.898 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408768487 1066596865 /nfs/dbraw/zinc/59/68/65/1066596865.db2.gz GGHMDURTLUNMAR-RRAHZORUSA-N 0 0 540.616 4.700 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408768656 1066595861 /nfs/dbraw/zinc/59/58/61/1066595861.db2.gz ZTHRWIHVANXRMY-ONUIUJJFSA-N 0 0 528.561 4.599 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408768666 1066595715 /nfs/dbraw/zinc/59/57/15/1066595715.db2.gz ZWELEQJISPOBCT-USHMODERSA-N 0 0 540.616 4.936 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408768997 1066227931 /nfs/dbraw/zinc/22/79/31/1066227931.db2.gz KUINDMGCWUSPHQ-HDFSHUSISA-N 0 0 507.659 4.871 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408768998 1066595883 /nfs/dbraw/zinc/59/58/83/1066595883.db2.gz KUINDMGCWUSPHQ-LAUBZIAYSA-N 0 0 507.659 4.871 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000408769028 1066595755 /nfs/dbraw/zinc/59/57/55/1066595755.db2.gz LDSKIICISZCYFR-DDBFQISPSA-N 0 0 582.726 4.737 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000408769029 1066595902 /nfs/dbraw/zinc/59/59/02/1066595902.db2.gz LDSKIICISZCYFR-WWWKDLBZSA-N 0 0 582.726 4.737 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408769104 1066595271 /nfs/dbraw/zinc/59/52/71/1066595271.db2.gz NXDUXEJBUNYIHK-LMSRTUJASA-N 0 0 550.055 4.998 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408769105 1066595357 /nfs/dbraw/zinc/59/53/57/1066595357.db2.gz NXDUXEJBUNYIHK-RISWYLRJSA-N 0 0 550.055 4.998 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408769376 1066595364 /nfs/dbraw/zinc/59/53/64/1066595364.db2.gz SIFZXQVTEZPIMR-IMRQLAEWSA-N 0 0 542.588 4.989 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408769406 1066594699 /nfs/dbraw/zinc/59/46/99/1066594699.db2.gz TUJRHXZFQJROMX-XYGWBWBKSA-N 0 0 516.525 4.729 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769471 1066594713 /nfs/dbraw/zinc/59/47/13/1066594713.db2.gz MRHIMNCDVIHWBW-ALUWMOPFSA-N 0 0 681.565 4.894 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769472 1066594663 /nfs/dbraw/zinc/59/46/63/1066594663.db2.gz MRHIMNCDVIHWBW-VIYYDIFJSA-N 0 0 681.565 4.894 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408769976 1066590726 /nfs/dbraw/zinc/59/07/26/1066590726.db2.gz RIOMJVXATUAHHU-JLKMOJGBSA-N 0 0 537.685 4.879 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408769977 1066590520 /nfs/dbraw/zinc/59/05/20/1066590520.db2.gz RIOMJVXATUAHHU-UNDLXJOSSA-N 0 0 537.685 4.879 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770504 1066228553 /nfs/dbraw/zinc/22/85/53/1066228553.db2.gz YIDPDBHIBTZIDF-DQARITGZSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770505 1066590003 /nfs/dbraw/zinc/59/00/03/1066590003.db2.gz YIDPDBHIBTZIDF-YRSDHNRQSA-N 0 0 636.568 4.986 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408770636 1066589679 /nfs/dbraw/zinc/58/96/79/1066589679.db2.gz ZSVKCNBLIOAHBI-DDIUQFJASA-N 0 0 567.711 4.888 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408770637 1066589555 /nfs/dbraw/zinc/58/95/55/1066589555.db2.gz ZSVKCNBLIOAHBI-IMUCPKNRSA-N 0 0 567.711 4.888 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408770676 1066589652 /nfs/dbraw/zinc/58/96/52/1066589652.db2.gz AESWLSWILOGAJH-ONUIUJJFSA-N 0 0 531.008 4.955 40 10 KJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408770941 1066594080 /nfs/dbraw/zinc/59/40/80/1066594080.db2.gz BEIOPJKYWBBLDL-DXSHVULOSA-N 0 0 524.617 4.858 40 10 KJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408770942 1066594033 /nfs/dbraw/zinc/59/40/33/1066594033.db2.gz BEIOPJKYWBBLDL-RMTSEHLMSA-N 0 0 524.617 4.858 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NCCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408770982 1066593990 /nfs/dbraw/zinc/59/39/90/1066593990.db2.gz CYRSJKSFUNKDAB-RRAHZORUSA-N 0 0 540.616 4.700 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408771149 1066593667 /nfs/dbraw/zinc/59/36/67/1066593667.db2.gz FPNQUPINRKHLOR-ONUIUJJFSA-N 0 0 512.562 4.586 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408771226 1066593436 /nfs/dbraw/zinc/59/34/36/1066593436.db2.gz FAKYFWNMCURPNZ-ITYLOYPMSA-N 0 0 512.562 4.980 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NC4CCCCC4)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408771269 1066227996 /nfs/dbraw/zinc/22/79/96/1066227996.db2.gz FHFCEXHZNXXYGB-ITYLOYPMSA-N 0 0 518.610 4.790 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408771973 1066229291 /nfs/dbraw/zinc/22/92/91/1066229291.db2.gz JJLDMMSVDDYQJY-FDRCZSESSA-N 0 0 514.553 4.959 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408771975 1066593661 /nfs/dbraw/zinc/59/36/61/1066593661.db2.gz JJLDMMSVDDYQJY-VPBNWZFVSA-N 0 0 514.553 4.959 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408772051 1066593530 /nfs/dbraw/zinc/59/35/30/1066593530.db2.gz JWJAXDZJRXOJOB-ONUIUJJFSA-N 0 0 512.562 4.898 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408773093 1066593111 /nfs/dbraw/zinc/59/31/11/1066593111.db2.gz GCTSSIRQFACBKP-UQQQWYQISA-N 0 0 526.589 4.894 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408773269 1066593036 /nfs/dbraw/zinc/59/30/36/1066593036.db2.gz UPVXBMYFVXKKHM-XYGWBWBKSA-N 0 0 500.526 4.716 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000408773484 1066592526 /nfs/dbraw/zinc/59/25/26/1066592526.db2.gz LBDHVJUFJBCXTJ-NLHYFHBKSA-N 0 0 530.631 4.981 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1cccs1 ZINC000408773488 1066198523 /nfs/dbraw/zinc/19/85/23/1066198523.db2.gz LBDHVJUFJBCXTJ-SSBMDRECSA-N 0 0 530.631 4.981 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408773882 1066229908 /nfs/dbraw/zinc/22/99/08/1066229908.db2.gz JSDGCMJUVVRCDP-IMRQLAEWSA-N 0 0 526.589 4.658 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408773951 1066592550 /nfs/dbraw/zinc/59/25/50/1066592550.db2.gz UOADGELESYCQSS-IGSWSUAKSA-N 0 0 629.545 4.872 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408773954 1066592519 /nfs/dbraw/zinc/59/25/19/1066592519.db2.gz UOADGELESYCQSS-YMSBRDKKSA-N 0 0 629.545 4.872 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408774132 1066592566 /nfs/dbraw/zinc/59/25/66/1066592566.db2.gz BFAAESYKGBXKJM-QRVIBDJDSA-N 0 0 551.393 4.615 40 10 KJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408774472 1066592558 /nfs/dbraw/zinc/59/25/58/1066592558.db2.gz VXFXBGLEZHJAKA-QJOMJCCJSA-N 0 0 504.583 4.718 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408774479 1066592478 /nfs/dbraw/zinc/59/24/78/1066592478.db2.gz ONDFRCUSQRFKPL-BWAHOGKJSA-N 0 0 542.588 4.989 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408774619 1066592058 /nfs/dbraw/zinc/59/20/58/1066592058.db2.gz CJJPMVWYVBXXEO-ONUIUJJFSA-N 0 0 502.611 4.696 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408774805 1066592100 /nfs/dbraw/zinc/59/21/00/1066592100.db2.gz NHDNEFWFYCDLMA-USHMODERSA-N 0 0 556.615 4.637 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408775313 1066230159 /nfs/dbraw/zinc/23/01/59/1066230159.db2.gz GADCMFSVDZOBMO-XYGWBWBKSA-N 0 0 516.525 4.729 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408775426 1066229887 /nfs/dbraw/zinc/22/98/87/1066229887.db2.gz SSEBHDRFIBAMPE-ODHYRZOZSA-N 0 0 514.553 4.959 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408775428 1066591626 /nfs/dbraw/zinc/59/16/26/1066591626.db2.gz SSEBHDRFIBAMPE-RJDQKLELSA-N 0 0 514.553 4.959 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408775555 1066230059 /nfs/dbraw/zinc/23/00/59/1066230059.db2.gz IKBMPELXKIHQCU-CLNXTWJPSA-N 0 0 585.701 4.930 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408775556 1066591539 /nfs/dbraw/zinc/59/15/39/1066591539.db2.gz IKBMPELXKIHQCU-ZHGFHMGHSA-N 0 0 585.701 4.930 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408775733 1066230312 /nfs/dbraw/zinc/23/03/12/1066230312.db2.gz JLAPAHDNVAHIAP-PKAZHMFMSA-N 0 0 526.589 4.894 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408776639 1066591194 /nfs/dbraw/zinc/59/11/94/1066591194.db2.gz XYQZNLRCDNIPJK-ITYLOYPMSA-N 0 0 531.008 4.955 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408776851 1066590742 /nfs/dbraw/zinc/59/07/42/1066590742.db2.gz ZXGMOZAVMHYESJ-ONUIUJJFSA-N 0 0 574.605 4.776 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408777326 1066600285 /nfs/dbraw/zinc/60/02/85/1066600285.db2.gz YOPORWOEHUCHPK-ULJHMMPZSA-N 0 0 528.561 4.599 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408777741 1066231000 /nfs/dbraw/zinc/23/10/00/1066231000.db2.gz HPOHYWGGOXQKMR-ATGXDJACSA-N 0 0 584.669 4.875 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408777742 1066599817 /nfs/dbraw/zinc/59/98/17/1066599817.db2.gz HPOHYWGGOXQKMR-DCLYXHRQSA-N 0 0 584.669 4.875 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408777780 1066230937 /nfs/dbraw/zinc/23/09/37/1066230937.db2.gz ISKVFDOJTDGSPA-OOAXWGSJSA-N 0 0 510.590 4.692 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000408777990 1066599952 /nfs/dbraw/zinc/59/99/52/1066599952.db2.gz NPXXXYFWZRGGEY-AYBCGVOZSA-N 0 0 545.419 4.545 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000408777991 1066599740 /nfs/dbraw/zinc/59/97/40/1066599740.db2.gz NPXXXYFWZRGGEY-COVVZGLNSA-N 0 0 545.419 4.545 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408778282 1066599935 /nfs/dbraw/zinc/59/99/35/1066599935.db2.gz SBGANLVGLQHOPD-IWIPYMOSSA-N 0 0 504.489 4.860 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408779343 1066230869 /nfs/dbraw/zinc/23/08/69/1066230869.db2.gz CZJZMYNOELQSKL-KQWNVCNZSA-N 0 0 516.525 4.729 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408779935 1066598771 /nfs/dbraw/zinc/59/87/71/1066598771.db2.gz NYAWIPYZSWDQFB-BWAHOGKJSA-N 0 0 586.641 4.645 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408780281 1066598777 /nfs/dbraw/zinc/59/87/77/1066598777.db2.gz AOVKTGHTLSKGTA-HRLSHZPLSA-N 0 0 555.675 4.921 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408780286 1066230976 /nfs/dbraw/zinc/23/09/76/1066230976.db2.gz AOVKTGHTLSKGTA-RWDZFFNTSA-N 0 0 555.675 4.921 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408780374 1066598852 /nfs/dbraw/zinc/59/88/52/1066598852.db2.gz XWGZKSJJKVNFPI-BWAHOGKJSA-N 0 0 542.588 4.989 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408780445 1066598761 /nfs/dbraw/zinc/59/87/61/1066598761.db2.gz YRPZYPHWMQSWBB-PKAZHMFMSA-N 0 0 542.588 4.594 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408781374 1066232407 /nfs/dbraw/zinc/23/24/07/1066232407.db2.gz CAPJHQUSMUAEIX-PKAZHMFMSA-N 0 0 526.589 4.894 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408781908 1066597780 /nfs/dbraw/zinc/59/77/80/1066597780.db2.gz FORGVOGJVKRORF-IMRQLAEWSA-N 0 0 526.589 4.658 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408782145 1066231365 /nfs/dbraw/zinc/23/13/65/1066231365.db2.gz HYYCWONMTFZLAF-QQXSKIMKSA-N 0 0 514.578 4.859 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408782604 1066603723 /nfs/dbraw/zinc/60/37/23/1066603723.db2.gz KXARLBZZMBGTIV-PLRJNAJWSA-N 0 0 526.589 4.628 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408783114 1066602871 /nfs/dbraw/zinc/60/28/71/1066602871.db2.gz KDIVKRIYYYCAKH-PGMHBOJBSA-N 0 0 516.525 4.729 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408783688 1066602956 /nfs/dbraw/zinc/60/29/56/1066602956.db2.gz QAMFCCAYTDLGIZ-UCQKPKSFSA-N 0 0 551.393 4.615 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408785141 1066602350 /nfs/dbraw/zinc/60/23/50/1066602350.db2.gz YALCXLVIYAFLSF-QQXSKIMKSA-N 0 0 530.552 4.725 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408785380 1066601626 /nfs/dbraw/zinc/60/16/26/1066601626.db2.gz YRBXSFAEIUHSCR-JLKMOJGBSA-N 0 0 537.685 4.879 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408785386 1066601521 /nfs/dbraw/zinc/60/15/21/1066601521.db2.gz YRBXSFAEIUHSCR-UNDLXJOSSA-N 0 0 537.685 4.879 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408785594 1066232283 /nfs/dbraw/zinc/23/22/83/1066232283.db2.gz ZZXAANFAROTWKC-QRVIBDJDSA-N 0 0 506.942 4.505 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408787300 1066603801 /nfs/dbraw/zinc/60/38/01/1066603801.db2.gz WUZQVGMFKYHPMF-UCQKPKSFSA-N 0 0 506.942 4.505 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408787972 1066606162 /nfs/dbraw/zinc/60/61/62/1066606162.db2.gz BOPFZKFYWLAHQS-ULJHMMPZSA-N 0 0 512.562 4.586 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408788798 1066605465 /nfs/dbraw/zinc/60/54/65/1066605465.db2.gz HJIXSSPGIGFGAB-PKAZHMFMSA-N 0 0 510.590 4.876 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408789911 1066605544 /nfs/dbraw/zinc/60/55/44/1066605544.db2.gz OODVCFWJGFJQIF-VEOZPNHKSA-N 0 0 606.517 4.903 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408789913 1066605422 /nfs/dbraw/zinc/60/54/22/1066605422.db2.gz OODVCFWJGFJQIF-ZEKHAJRLSA-N 0 0 606.517 4.903 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408800069 1066611529 /nfs/dbraw/zinc/61/15/29/1066611529.db2.gz KBPUTEYECDYMNN-BIWBSIMWSA-N 0 0 529.637 4.653 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408800070 1066611525 /nfs/dbraw/zinc/61/15/25/1066611525.db2.gz KBPUTEYECDYMNN-ZGOFBEGVSA-N 0 0 529.637 4.653 40 10 KJCBRN COc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1O ZINC000408811110 1066616416 /nfs/dbraw/zinc/61/64/16/1066616416.db2.gz LVBSVJOJFPIHGU-UHFFFAOYSA-N 0 0 509.381 4.912 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408812836 1066615879 /nfs/dbraw/zinc/61/58/79/1066615879.db2.gz MLDMDYOXXSANMU-ASZNLBCTSA-N 0 0 587.673 4.522 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408812861 1066238696 /nfs/dbraw/zinc/23/86/96/1066238696.db2.gz MLDMDYOXXSANMU-YNMQQHPQSA-N 0 0 587.673 4.522 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821005 1066624185 /nfs/dbraw/zinc/62/41/85/1066624185.db2.gz BGRHIUPJHIWJKE-JBDHCHCMSA-N 0 0 570.671 4.731 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821006 1066241042 /nfs/dbraw/zinc/24/10/42/1066241042.db2.gz BGRHIUPJHIWJKE-PIXWUVMMSA-N 0 0 570.671 4.731 40 10 KJCBRN O=C(c1ccccc1I)N1C(=O)/C(=C\c2ccc(I)cc2)SC1=S ZINC000408822241 1066622575 /nfs/dbraw/zinc/62/25/75/1066622575.db2.gz JCINNJWFLMEXGQ-NTEUORMPSA-N 0 0 577.206 4.937 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408822383 1066622542 /nfs/dbraw/zinc/62/25/42/1066622542.db2.gz BCLAUDKSYOYJFN-KEPJHFNWSA-N 0 0 600.697 4.901 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408822384 1066622600 /nfs/dbraw/zinc/62/26/00/1066622600.db2.gz BCLAUDKSYOYJFN-MIUGUJGPSA-N 0 0 600.697 4.901 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823078 1066621780 /nfs/dbraw/zinc/62/17/80/1066621780.db2.gz DLZOSTBIGKVBOQ-GWRYVSOYSA-N 0 0 599.709 4.722 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408823081 1066621748 /nfs/dbraw/zinc/62/17/48/1066621748.db2.gz DLZOSTBIGKVBOQ-XSTKMXAKSA-N 0 0 599.709 4.722 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823905 1066621259 /nfs/dbraw/zinc/62/12/59/1066621259.db2.gz FUZZBZCVPLFRRD-RGFRMHDHSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823908 1066240642 /nfs/dbraw/zinc/24/06/42/1066240642.db2.gz FUZZBZCVPLFRRD-XQNWCSQWSA-N 0 0 525.674 4.823 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1 ZINC000408825939 1066241098 /nfs/dbraw/zinc/24/10/98/1066241098.db2.gz KDGGKHZOKLFNQP-NNAGEYCMSA-N 0 0 552.700 4.565 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1 ZINC000408825944 1066629476 /nfs/dbraw/zinc/62/94/76/1066629476.db2.gz KDGGKHZOKLFNQP-PQRKSKNISA-N 0 0 552.700 4.565 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(C)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408825951 1066241265 /nfs/dbraw/zinc/24/12/65/1066241265.db2.gz SFENRHBASJLOHT-NNAGEYCMSA-N 0 0 583.710 4.691 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(C)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408825955 1066629612 /nfs/dbraw/zinc/62/96/12/1066629612.db2.gz SFENRHBASJLOHT-PQRKSKNISA-N 0 0 583.710 4.691 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408829506 1066243750 /nfs/dbraw/zinc/24/37/50/1066243750.db2.gz OLSOOWJCFIVUCU-PKYOQBLNSA-N 0 0 600.697 4.901 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408829508 1066642209 /nfs/dbraw/zinc/64/22/09/1066642209.db2.gz OLSOOWJCFIVUCU-USDTVRPUSA-N 0 0 600.697 4.901 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408830079 1066243892 /nfs/dbraw/zinc/24/38/92/1066243892.db2.gz RCPJATPDKDDAEX-VLOXRPPESA-N 0 0 580.028 4.546 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408830085 1066641538 /nfs/dbraw/zinc/64/15/38/1066641538.db2.gz RCPJATPDKDDAEX-WLJFKGHSSA-N 0 0 580.028 4.546 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408830739 1066243766 /nfs/dbraw/zinc/24/37/66/1066243766.db2.gz YUWHDKYGVZBDNA-HRIDGTDGSA-N 0 0 553.684 4.717 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408830744 1066244325 /nfs/dbraw/zinc/24/43/25/1066244325.db2.gz YUWHDKYGVZBDNA-NULZLWRNSA-N 0 0 553.684 4.717 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408831052 1066640258 /nfs/dbraw/zinc/64/02/58/1066640258.db2.gz PIUMACKBSCYAKB-CVGPFBNFSA-N 0 0 594.055 4.849 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408831054 1066640321 /nfs/dbraw/zinc/64/03/21/1066640321.db2.gz PIUMACKBSCYAKB-LJJBLSSYSA-N 0 0 594.055 4.849 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408831087 1066640205 /nfs/dbraw/zinc/64/02/05/1066640205.db2.gz PHVSRKQMTYYCEU-JLHDDXNDSA-N 0 0 613.736 4.780 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408831088 1066640313 /nfs/dbraw/zinc/64/03/13/1066640313.db2.gz PHVSRKQMTYYCEU-PYCBVSLESA-N 0 0 613.736 4.780 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408831972 1066632857 /nfs/dbraw/zinc/63/28/57/1066632857.db2.gz QIPRNHQPBZRBPI-LCQSEVKBSA-N 0 0 570.671 4.731 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408831973 1066633014 /nfs/dbraw/zinc/63/30/14/1066633014.db2.gz QIPRNHQPBZRBPI-UQDCTOEPSA-N 0 0 570.671 4.731 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408832512 1066638423 /nfs/dbraw/zinc/63/84/23/1066638423.db2.gz ZGHINTIUXDJGMX-BIWBSIMWSA-N 0 0 513.688 4.932 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408832525 1066638394 /nfs/dbraw/zinc/63/83/94/1066638394.db2.gz ZGHINTIUXDJGMX-ZGOFBEGVSA-N 0 0 513.688 4.932 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408832830 1066637715 /nfs/dbraw/zinc/63/77/15/1066637715.db2.gz RSLKLIJXRCQPBG-RGFRMHDHSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408832831 1066638466 /nfs/dbraw/zinc/63/84/66/1066638466.db2.gz RSLKLIJXRCQPBG-XQNWCSQWSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408833482 1066632239 /nfs/dbraw/zinc/63/22/39/1066632239.db2.gz SODMMSMEUMNLCI-NNAGEYCMSA-N 0 0 554.716 4.580 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408833484 1066632385 /nfs/dbraw/zinc/63/23/85/1066632385.db2.gz SODMMSMEUMNLCI-PQRKSKNISA-N 0 0 554.716 4.580 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834463 1066636067 /nfs/dbraw/zinc/63/60/67/1066636067.db2.gz VAZRFZQRLVZXDM-HRIDGTDGSA-N 0 0 553.684 4.717 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834466 1066635958 /nfs/dbraw/zinc/63/59/58/1066635958.db2.gz VAZRFZQRLVZXDM-NULZLWRNSA-N 0 0 553.684 4.717 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408834608 1066246910 /nfs/dbraw/zinc/24/69/10/1066246910.db2.gz VNXOFPQMAGNKKP-HDFSHUSISA-N 0 0 555.700 4.993 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408834615 1066247008 /nfs/dbraw/zinc/24/70/08/1066247008.db2.gz VNXOFPQMAGNKKP-LAUBZIAYSA-N 0 0 555.700 4.993 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408834801 1066199197 /nfs/dbraw/zinc/19/91/97/1066199197.db2.gz MABLLKKATCFFFP-MRWVFDTMSA-N 0 0 613.736 4.918 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408834802 1066635349 /nfs/dbraw/zinc/63/53/49/1066635349.db2.gz MABLLKKATCFFFP-NBQDTTAVSA-N 0 0 613.736 4.918 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408835128 1066635412 /nfs/dbraw/zinc/63/54/12/1066635412.db2.gz MNKVVUZGMNZGPR-JLHDDXNDSA-N 0 0 613.736 4.780 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408835131 1066635387 /nfs/dbraw/zinc/63/53/87/1066635387.db2.gz MNKVVUZGMNZGPR-PYCBVSLESA-N 0 0 613.736 4.780 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836807 1066245663 /nfs/dbraw/zinc/24/56/63/1066245663.db2.gz VUMIJBNVFORYLQ-RGFRMHDHSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836808 1066630307 /nfs/dbraw/zinc/63/03/07/1066630307.db2.gz VUMIJBNVFORYLQ-XQNWCSQWSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836983 1066633738 /nfs/dbraw/zinc/63/37/38/1066633738.db2.gz XKZJVKKXJLCRRB-MRWVFDTMSA-N 0 0 612.752 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836984 1066633726 /nfs/dbraw/zinc/63/37/26/1066633726.db2.gz XKZJVKKXJLCRRB-NBQDTTAVSA-N 0 0 612.752 4.951 40 10 KJCBRN O=C1C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408842654 1066647017 /nfs/dbraw/zinc/64/70/17/1066647017.db2.gz AGWOIRGNMHRMOC-UHFFFAOYSA-N 0 0 538.423 4.627 40 10 KJCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408843417 1066250159 /nfs/dbraw/zinc/25/01/59/1066250159.db2.gz FJYJZORYZWDEAG-WGOQTCKBSA-N 0 0 534.634 4.590 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408843548 1066247977 /nfs/dbraw/zinc/24/79/77/1066247977.db2.gz FYVZJUQNSVOJGY-ZVHZXABRSA-N 0 0 541.025 4.593 40 10 KJCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408843650 1066647080 /nfs/dbraw/zinc/64/70/80/1066647080.db2.gz ALJOJRWZXGSDRS-BUVRLJJBSA-N 0 0 541.025 4.627 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408845078 1066645620 /nfs/dbraw/zinc/64/56/20/1066645620.db2.gz XYGWCONBBJNARW-BARSGRSVSA-N 0 0 564.029 4.840 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408845081 1066645628 /nfs/dbraw/zinc/64/56/28/1066645628.db2.gz XYGWCONBBJNARW-MNJKBJKMSA-N 0 0 564.029 4.840 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408845663 1066644834 /nfs/dbraw/zinc/64/48/34/1066644834.db2.gz YQMXLZHIAZFAET-JKALPCAWSA-N 0 0 614.871 4.823 40 10 KJCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408845666 1066644964 /nfs/dbraw/zinc/64/49/64/1066644964.db2.gz YQMXLZHIAZFAET-SQWSFHKJSA-N 0 0 614.871 4.823 40 10 KJCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408846179 1066644141 /nfs/dbraw/zinc/64/41/41/1066644141.db2.gz PEYFLLILPVKWOW-BUVRLJJBSA-N 0 0 541.025 4.627 40 10 KJCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408846357 1066249300 /nfs/dbraw/zinc/24/93/00/1066249300.db2.gz IXACMATWSNRILV-TURZUDJPSA-N 0 0 578.694 4.865 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408849324 1066656821 /nfs/dbraw/zinc/65/68/21/1066656821.db2.gz ZJYQDPBZUHWXBY-ZMOGYAJESA-N 0 0 598.439 4.723 40 10 KJCBRN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C ZINC000408849750 1066656151 /nfs/dbraw/zinc/65/61/51/1066656151.db2.gz YMBPYYMYHNHZBS-KGENOOAVSA-N 0 0 505.596 4.958 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000408850224 1066656131 /nfs/dbraw/zinc/65/61/31/1066656131.db2.gz IQCFWJJSOMDEKA-WGOQTCKBSA-N 0 0 541.604 4.727 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408850524 1066656225 /nfs/dbraw/zinc/65/62/25/1066656225.db2.gz BJKNSTBIYAINOA-FYJGNVAPSA-N 0 0 577.442 4.951 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408850699 1066251014 /nfs/dbraw/zinc/25/10/14/1066251014.db2.gz CQRJAHASDZQLDS-PKYOQBLNSA-N 0 0 600.697 4.901 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408850700 195488971 /nfs/dbraw/zinc/48/89/71/195488971.db2.gz CQRJAHASDZQLDS-USDTVRPUSA-N 0 0 600.697 4.901 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408852294 1066654944 /nfs/dbraw/zinc/65/49/44/1066654944.db2.gz RYQPRXZLLLQOOC-FYJGNVAPSA-N 0 0 584.412 4.727 40 10 KJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408852433 195492924 /nfs/dbraw/zinc/49/29/24/195492924.db2.gz FSQQBVKHPZVDBM-ZVHZXABRSA-N 0 0 541.025 4.906 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000408852458 1066250263 /nfs/dbraw/zinc/25/02/63/1066250263.db2.gz GAJGCOPQSFFJNH-HYARGMPZSA-N 0 0 557.024 4.606 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408853511 1066653542 /nfs/dbraw/zinc/65/35/42/1066653542.db2.gz UVIGHYHIYAOQFS-LPYMAVHISA-N 0 0 598.837 4.828 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408856607 1066651035 /nfs/dbraw/zinc/65/10/35/1066651035.db2.gz JIZMAMBTBGALRE-FYJGNVAPSA-N 0 0 584.412 4.727 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 ZINC000408858179 1066663503 /nfs/dbraw/zinc/66/35/03/1066663503.db2.gz QJLFELPPYMYKMU-DDBFQISPSA-N 0 0 582.726 4.824 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 ZINC000408858182 1066663382 /nfs/dbraw/zinc/66/33/82/1066663382.db2.gz QJLFELPPYMYKMU-WWWKDLBZSA-N 0 0 582.726 4.824 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408858792 1066662635 /nfs/dbraw/zinc/66/26/35/1066662635.db2.gz SMXKRAHWFPBLMH-LPYMAVHISA-N 0 0 554.386 4.719 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000408859755 1066662223 /nfs/dbraw/zinc/66/22/23/1066662223.db2.gz ZKSJZFKABWMPIJ-OEAKJJBVSA-N 0 0 567.520 4.739 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408865043 1066658870 /nfs/dbraw/zinc/65/88/70/1066658870.db2.gz BHNHVUIAVIFKGW-ONUIUJJFSA-N 0 0 530.577 4.641 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000408865769 1066658849 /nfs/dbraw/zinc/65/88/49/1066658849.db2.gz FJYXEVPQLRQQAS-ODLFYWEKSA-N 0 0 503.382 4.774 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(C(C)C)cc4)C(C)=C3C(=O)OC)o2)cc1 ZINC000408868551 1066255322 /nfs/dbraw/zinc/25/53/22/1066255322.db2.gz NRFTYMKWFWBNSF-WPWMEQJKSA-N 0 0 599.640 4.712 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408868743 1066669048 /nfs/dbraw/zinc/66/90/48/1066669048.db2.gz BBDOBQIFYYGOII-DIBXZPPDSA-N 0 0 526.589 4.628 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408868764 1066668942 /nfs/dbraw/zinc/66/89/42/1066668942.db2.gz BETYTTQHJIKQBY-BUVRLJJBSA-N 0 0 547.995 4.764 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000408868796 1066255202 /nfs/dbraw/zinc/25/52/02/1066255202.db2.gz OVCGVRLXNRABLD-DEDYPNTBSA-N 0 0 547.416 4.942 40 10 KJCBRN O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1F ZINC000408869170 1066255218 /nfs/dbraw/zinc/25/52/18/1066255218.db2.gz RXSMXGNATYJFAC-UDWIEESQSA-N 0 0 524.302 4.754 40 10 KJCBRN COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408869431 1066255435 /nfs/dbraw/zinc/25/54/35/1066255435.db2.gz RSRTZBOOVLMXDY-ODLFYWEKSA-N 0 0 568.405 4.776 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408869483 1066668965 /nfs/dbraw/zinc/66/89/65/1066668965.db2.gz SHMKZXQZFHACOK-LPYMAVHISA-N 0 0 554.386 4.719 40 10 KJCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408869525 1066255414 /nfs/dbraw/zinc/25/54/14/1066255414.db2.gz SLVKRVXKLLWDNS-UDWIEESQSA-N 0 0 556.331 4.696 40 10 KJCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000408869654 1066669118 /nfs/dbraw/zinc/66/91/18/1066669118.db2.gz QEXFEGWIWPNJAO-UHFFFAOYSA-N 0 0 554.340 4.892 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408870248 1066668567 /nfs/dbraw/zinc/66/85/67/1066668567.db2.gz VQOKFFNZVLNLNU-ONUIUJJFSA-N 0 0 512.562 4.586 40 10 KJCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408870263 1066255330 /nfs/dbraw/zinc/25/53/30/1066255330.db2.gz UEJUBZMNXIFQQT-DJKKODMXSA-N 0 0 554.328 4.762 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408870315 1066668465 /nfs/dbraw/zinc/66/84/65/1066668465.db2.gz UIVYABPIVQWEGB-UHFFFAOYSA-N 0 0 572.424 4.645 40 10 KJCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408870508 1066255385 /nfs/dbraw/zinc/25/53/85/1066255385.db2.gz SSEMIDMLXWIMBR-YBFXNURJSA-N 0 0 548.423 4.560 40 10 KJCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1Cc1ccccc1F ZINC000408870630 1066255251 /nfs/dbraw/zinc/25/52/51/1066255251.db2.gz WFDQLQUEBNNYER-YVLHZVERSA-N 0 0 574.321 4.835 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000408871102 1066668490 /nfs/dbraw/zinc/66/84/90/1066668490.db2.gz VXKUOACYNLFPEJ-OEAKJJBVSA-N 0 0 571.449 4.706 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408871374 1066667841 /nfs/dbraw/zinc/66/78/41/1066667841.db2.gz YVPALGIRNKKSFP-BUVRLJJBSA-N 0 0 557.024 4.687 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408871499 1066667698 /nfs/dbraw/zinc/66/76/98/1066667698.db2.gz GXNGGZCRKBMKQL-IMRQLAEWSA-N 0 0 570.642 4.945 40 10 KJCBRN COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408872638 1066256208 /nfs/dbraw/zinc/25/62/08/1066256208.db2.gz HXNXRSLUVLEHKC-ODLFYWEKSA-N 0 0 523.954 4.667 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408872758 1066667152 /nfs/dbraw/zinc/66/71/52/1066667152.db2.gz IFSOTMZHFWSXLF-STZFKDTASA-N 0 0 506.942 4.823 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408872760 1066256085 /nfs/dbraw/zinc/25/60/85/1066256085.db2.gz IGFLAHRQKBPEKE-LPYMAVHISA-N 0 0 628.394 4.873 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408872795 1066667276 /nfs/dbraw/zinc/66/72/76/1066667276.db2.gz IYDFSTRHBPHSAD-QYTZQGLJSA-N 0 0 525.674 4.798 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408872796 1066255847 /nfs/dbraw/zinc/25/58/47/1066255847.db2.gz IYDFSTRHBPHSAD-RBRLEXCSSA-N 0 0 525.674 4.798 40 10 KJCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408872828 1066255985 /nfs/dbraw/zinc/25/59/85/1066255985.db2.gz JLHORHQAVUIDQS-RGVLZGJSSA-N 0 0 586.357 4.792 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CNC(=O)C(=O)Nc4ccc(Cl)c(Cl)c4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408872867 1066667269 /nfs/dbraw/zinc/66/72/69/1066667269.db2.gz KJDMDYFGKREICA-HYARGMPZSA-N 0 0 626.449 4.895 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000408873067 1066667259 /nfs/dbraw/zinc/66/72/59/1066667259.db2.gz RERXSHHDMUGMKP-PCLIKHOPSA-N 0 0 520.607 4.642 40 10 KJCBRN COc1cc(I)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408873359 1066256231 /nfs/dbraw/zinc/25/62/31/1066256231.db2.gz PTXFLGVRAIRCNJ-UHFFFAOYSA-N 0 0 524.314 4.883 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1 ZINC000408873447 1066666373 /nfs/dbraw/zinc/66/63/73/1066666373.db2.gz RQINVTHPGYELSP-PCLIKHOPSA-N 0 0 606.031 4.632 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408873700 1066256197 /nfs/dbraw/zinc/25/61/97/1066256197.db2.gz WGRLLGBYGKUBBI-GTWFGUSFSA-N 0 0 576.516 4.780 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408873702 1066666276 /nfs/dbraw/zinc/66/62/76/1066666276.db2.gz WGRLLGBYGKUBBI-SJJVXOANSA-N 0 0 576.516 4.780 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1 ZINC000408873750 1066666432 /nfs/dbraw/zinc/66/64/32/1066666432.db2.gz VJUXCSLYGIUUKR-XKZIYDEJSA-N 0 0 507.543 4.695 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408873758 1066256128 /nfs/dbraw/zinc/25/61/28/1066256128.db2.gz WUIKSMDCIUOFHC-LPYMAVHISA-N 0 0 628.394 4.873 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408875354 1066665994 /nfs/dbraw/zinc/66/59/94/1066665994.db2.gz DSZVMVPNDWUYOF-QQXSKIMKSA-N 0 0 512.562 4.898 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000408875731 1066665290 /nfs/dbraw/zinc/66/52/90/1066665290.db2.gz KJMNAYFWMICBJI-OEAKJJBVSA-N 0 0 541.025 4.906 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000408876015 1066665235 /nfs/dbraw/zinc/66/52/35/1066665235.db2.gz IQFBYYPYXHSLTI-YZSQISJMSA-N 0 0 557.603 4.509 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408876201 1066256635 /nfs/dbraw/zinc/25/66/35/1066256635.db2.gz JXFOAFDJVWHCJQ-UHFFFAOYSA-N 0 0 530.227 4.648 40 10 KJCBRN COCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000408876344 1066665330 /nfs/dbraw/zinc/66/53/30/1066665330.db2.gz NZBMZEWIVRORRG-WPWMEQJKSA-N 0 0 599.105 4.952 40 10 KJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408876486 1066256804 /nfs/dbraw/zinc/25/68/04/1066256804.db2.gz LOEXQNIHOTXAFI-HIQXPHMNSA-N 0 0 547.995 4.622 40 10 KJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000408876489 1066256699 /nfs/dbraw/zinc/25/66/99/1066256699.db2.gz LOEXQNIHOTXAFI-SYXCRGJESA-N 0 0 547.995 4.622 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000408876666 1066664631 /nfs/dbraw/zinc/66/46/31/1066664631.db2.gz PQFFIYKECQEKKN-XKZIYDEJSA-N 0 0 507.543 4.695 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408876760 1066664540 /nfs/dbraw/zinc/66/45/40/1066664540.db2.gz NKSXKMVMGWELQK-UHFFFAOYSA-N 0 0 525.424 4.803 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408877065 1066256744 /nfs/dbraw/zinc/25/67/44/1066256744.db2.gz PFZXOHGUEATNJJ-MYYYXRDXSA-N 0 0 516.525 4.729 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(C)=C3C(=O)OC)o2)cc1 ZINC000408877151 1066664696 /nfs/dbraw/zinc/66/46/96/1066664696.db2.gz QGQAXNFNTTZLDK-BUVRLJJBSA-N 0 0 625.556 4.607 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408878074 1066675763 /nfs/dbraw/zinc/67/57/63/1066675763.db2.gz WGTXWNKKSQYTEB-ONUIUJJFSA-N 0 0 512.562 4.898 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408878441 1066675690 /nfs/dbraw/zinc/67/56/90/1066675690.db2.gz ATLMHJSOKKPEKD-DIBXZPPDSA-N 0 0 510.590 4.610 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408881212 1066673435 /nfs/dbraw/zinc/67/34/35/1066673435.db2.gz ILSUQFJPMYLGCH-USHMODERSA-N 0 0 524.617 4.918 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408881696 1066258145 /nfs/dbraw/zinc/25/81/45/1066258145.db2.gz LSRCUMZGLKXHGV-LPYMAVHISA-N 0 0 547.416 4.942 40 10 KJCBRN COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408881899 1066258100 /nfs/dbraw/zinc/25/81/00/1066258100.db2.gz MYFWLLQMVAIKEP-RGVLZGJSSA-N 0 0 507.886 4.502 40 10 KJCBRN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408881961 1066258273 /nfs/dbraw/zinc/25/82/73/1066258273.db2.gz PEQBXMIOHNGCLC-KGENOOAVSA-N 0 0 524.982 4.645 40 10 KJCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000408882877 1066672942 /nfs/dbraw/zinc/67/29/42/1066672942.db2.gz PGQNZWOFXVVIBN-VUTHCHCSSA-N 0 0 592.714 4.997 40 10 KJCBRN COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408883019 1066257976 /nfs/dbraw/zinc/25/79/76/1066257976.db2.gz SSALFCLOEYXQJF-RGVLZGJSSA-N 0 0 567.367 4.641 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408883194 1066257945 /nfs/dbraw/zinc/25/79/45/1066257945.db2.gz RWAJETOCFWIMNW-FYJGNVAPSA-N 0 0 646.459 4.741 40 10 KJCBRN O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408883229 1066258209 /nfs/dbraw/zinc/25/82/09/1066258209.db2.gz SAWCGIMDMRUAMQ-UDWIEESQSA-N 0 0 511.303 4.539 40 10 KJCBRN O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408883310 1066258003 /nfs/dbraw/zinc/25/80/03/1066258003.db2.gz UXKAAIKNSBRNOE-MOSHPQCFSA-N 0 0 511.372 4.999 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408883706 1066671859 /nfs/dbraw/zinc/67/18/59/1066671859.db2.gz RWQIASIWMLDOPZ-BUVRLJJBSA-N 0 0 601.475 4.797 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408887361 1066259096 /nfs/dbraw/zinc/25/90/96/1066259096.db2.gz PZTRTNJVCSHZTH-CHHVJCJISA-N 0 0 526.346 4.945 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408888282 1066258083 /nfs/dbraw/zinc/25/80/83/1066258083.db2.gz YNTLTAQCXMGORO-BUVRLJJBSA-N 0 0 528.561 4.734 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408888340 1066258028 /nfs/dbraw/zinc/25/80/28/1066258028.db2.gz ZIWRDEPUVWEMKD-CIAFOILYSA-N 0 0 552.942 4.910 40 10 KJCBRN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408888465 1066258227 /nfs/dbraw/zinc/25/82/27/1066258227.db2.gz VSDAVUYMWVCDJK-KGENOOAVSA-N 0 0 569.433 4.754 40 10 KJCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408888489 1066258119 /nfs/dbraw/zinc/25/81/19/1066258119.db2.gz VZUKWPIDSNBNDJ-UDWIEESQSA-N 0 0 575.824 4.845 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408889200 1066258248 /nfs/dbraw/zinc/25/82/48/1066258248.db2.gz ASCCXAGXDJLVLS-YBFXNURJSA-N 0 0 602.356 4.780 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408889211 1066258056 /nfs/dbraw/zinc/25/80/56/1066258056.db2.gz ATPXQSFLCLXFBP-HYARGMPZSA-N 0 0 522.916 4.901 40 10 KJCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1O ZINC000408889249 1066682227 /nfs/dbraw/zinc/68/22/27/1066682227.db2.gz BUEBYBXCLYGWNG-UHFFFAOYSA-N 0 0 540.313 4.589 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408895770 1066259497 /nfs/dbraw/zinc/25/94/97/1066259497.db2.gz VSESAVDRYDLDLQ-ZDLGFXPLSA-N 0 0 500.345 4.844 40 10 KJCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000408896537 1066260402 /nfs/dbraw/zinc/26/04/02/1066260402.db2.gz RSASNQGBYSHBBW-UHFFFAOYSA-N 0 0 509.381 4.912 40 10 KJCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1O ZINC000408896874 1066677156 /nfs/dbraw/zinc/67/71/56/1066677156.db2.gz ULSYENWKPVRNAP-UHFFFAOYSA-N 0 0 554.340 4.979 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408900940 1066688171 /nfs/dbraw/zinc/68/81/71/1066688171.db2.gz AINVPCRCNDWZSQ-GZTJUZNOSA-N 0 0 555.415 4.648 40 10 KJCBRN COC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408900968 1066261126 /nfs/dbraw/zinc/26/11/26/1066261126.db2.gz AUXBFZINUGOZKX-OVCLIPMQSA-N 0 0 508.166 4.570 40 10 KJCBRN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408901240 1066687364 /nfs/dbraw/zinc/68/73/64/1066687364.db2.gz CKZURXSWMNUBFF-CXUHLZMHSA-N 0 0 522.193 4.960 40 10 KJCBRN COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408901340 1066688176 /nfs/dbraw/zinc/68/81/76/1066688176.db2.gz DHXVPWLVTGVJOL-RIYZIHGNSA-N 0 0 544.130 4.711 40 10 KJCBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408902002 1066686678 /nfs/dbraw/zinc/68/66/78/1066686678.db2.gz JSJYBBDINIKCHO-VCHYOVAHSA-N 0 0 508.415 4.805 40 10 KJCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902133 1066261179 /nfs/dbraw/zinc/26/11/79/1066261179.db2.gz KQQGKHLDTXCOIM-OQLLNIDSSA-N 0 0 637.258 4.853 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)OC ZINC000408902698 1066685484 /nfs/dbraw/zinc/68/54/84/1066685484.db2.gz QCXYDZLBWALWFM-GZTJUZNOSA-N 0 0 555.415 4.648 40 10 KJCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902976 1066684771 /nfs/dbraw/zinc/68/47/71/1066684771.db2.gz SYIGBASOGIYRSC-GZTJUZNOSA-N 0 0 525.389 4.639 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408903147 1066684197 /nfs/dbraw/zinc/68/41/97/1066684197.db2.gz UYQRGRFCMYWDNY-CXUHLZMHSA-N 0 0 616.193 4.644 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408903202 1066684712 /nfs/dbraw/zinc/68/47/12/1066684712.db2.gz VOCGMMGYWGFMPM-VCHYOVAHSA-N 0 0 508.415 4.805 40 10 KJCBRN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408903294 1066684133 /nfs/dbraw/zinc/68/41/33/1066684133.db2.gz WZUZOJHZDNCIJC-CXUHLZMHSA-N 0 0 569.193 4.802 40 10 KJCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408903447 1066264902 /nfs/dbraw/zinc/26/49/02/1066264902.db2.gz YAKSJIYDSQGVGX-GZTJUZNOSA-N 0 0 508.415 4.805 40 10 KJCBRN O=C1C(=Cc2ccc(O)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408904223 1066262755 /nfs/dbraw/zinc/26/27/55/1066262755.db2.gz GRBDXMSZQBWNIP-UHFFFAOYSA-N 0 0 510.287 4.580 40 10 KJCBRN O=C1C(=Cc2ccc(O)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408904482 1066263547 /nfs/dbraw/zinc/26/35/47/1066263547.db2.gz KFBFCTZZPZNGDF-UHFFFAOYSA-N 0 0 526.355 4.745 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905662 1066683581 /nfs/dbraw/zinc/68/35/81/1066683581.db2.gz BZLSRRBIZBWIJK-OEAKJJBVSA-N 0 0 526.998 4.597 40 10 KJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905710 1066263434 /nfs/dbraw/zinc/26/34/34/1066263434.db2.gz CSZVJXLBAZNWAO-MFKUBSTISA-N 0 0 520.607 4.561 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 ZINC000408905763 1066263417 /nfs/dbraw/zinc/26/34/17/1066263417.db2.gz DMSPLBWJGPIJIX-HZHRSRAPSA-N 0 0 578.419 4.564 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1 ZINC000408906778 1066682814 /nfs/dbraw/zinc/68/28/14/1066682814.db2.gz KFTMMYIEJFQRDP-PCLIKHOPSA-N 0 0 650.482 4.741 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000408907073 1066682811 /nfs/dbraw/zinc/68/28/11/1066682811.db2.gz LMYDTNUSZRUKLF-WGOQTCKBSA-N 0 0 541.604 4.844 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408907095 1066682881 /nfs/dbraw/zinc/68/28/81/1066682881.db2.gz LUVOFQUCFXSDAR-UDWIEESQSA-N 0 0 572.376 4.858 40 10 KJCBRN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408907974 1066265886 /nfs/dbraw/zinc/26/58/86/1066265886.db2.gz ABAMYAMZGVJPFJ-WUXMJOGZSA-N 0 0 530.227 4.600 40 10 KJCBRN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408908390 1066265718 /nfs/dbraw/zinc/26/57/18/1066265718.db2.gz CEQOPQMVQATFAR-LFYBBSHMSA-N 0 0 530.227 4.600 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408908864 1066692897 /nfs/dbraw/zinc/69/28/97/1066692897.db2.gz SRPVRDZKMKAKSV-YDZHTSKRSA-N 0 0 584.412 4.727 40 10 KJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000408908884 1066692854 /nfs/dbraw/zinc/69/28/54/1066692854.db2.gz SWVXRTAYXITBMK-NTRYICDMSA-N 0 0 541.604 4.585 40 10 KJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000408908886 1066692951 /nfs/dbraw/zinc/69/29/51/1066692951.db2.gz SWVXRTAYXITBMK-RHKYMZEHSA-N 0 0 541.604 4.585 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408909478 1066692797 /nfs/dbraw/zinc/69/27/97/1066692797.db2.gz UNSQZTJYJRPMQO-FYJGNVAPSA-N 0 0 584.412 4.727 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)NC1=S ZINC000408910162 1066692226 /nfs/dbraw/zinc/69/22/26/1066692226.db2.gz JIHYBWAUJSCDRX-VGOFMYFVSA-N 0 0 500.201 4.591 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000408910473 1066698810 /nfs/dbraw/zinc/69/88/10/1066698810.db2.gz WTNDBBFFQSEOLO-WPWMEQJKSA-N 0 0 571.630 4.817 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)NC1=S ZINC000408911754 1066266755 /nfs/dbraw/zinc/26/67/55/1066266755.db2.gz DDVGYISWXKCDPR-AWNIVKPZSA-N 0 0 636.103 4.652 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408911906 1066697492 /nfs/dbraw/zinc/69/74/92/1066697492.db2.gz OXJBEVFRFPJQNG-NNAGEYCMSA-N 0 0 601.725 4.622 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408911910 1066697429 /nfs/dbraw/zinc/69/74/29/1066697429.db2.gz OXJBEVFRFPJQNG-PQRKSKNISA-N 0 0 601.725 4.622 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408912348 1066697366 /nfs/dbraw/zinc/69/73/66/1066697366.db2.gz FIJFNUSWXXNMRE-AWNIVKPZSA-N 0 0 544.254 4.990 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(=O)NC1=S ZINC000408912484 1066697546 /nfs/dbraw/zinc/69/75/46/1066697546.db2.gz QYONNNRHBCPOKO-RQZCQDPDSA-N 0 0 654.267 4.885 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)NC1=S ZINC000408913151 1066696770 /nfs/dbraw/zinc/69/67/70/1066696770.db2.gz LGAZYHKWQCQMPT-WUXMJOGZSA-N 0 0 500.201 4.591 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)NC1=S ZINC000408913542 1066266525 /nfs/dbraw/zinc/26/65/25/1066266525.db2.gz LRLKYMHZKYHOIP-AWNIVKPZSA-N 0 0 500.201 4.591 40 10 KJCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408913689 1066696703 /nfs/dbraw/zinc/69/67/03/1066696703.db2.gz MZNZLZSVOBDDBI-XSFVSMFZSA-N 0 0 518.664 4.543 40 10 KJCBRN O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408913912 1066267241 /nfs/dbraw/zinc/26/72/41/1066267241.db2.gz WAWNJWOVAKNHIX-RGVLZGJSSA-N 0 0 513.294 4.973 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)NC1=S ZINC000408914168 1066268068 /nfs/dbraw/zinc/26/80/68/1066268068.db2.gz OIDLIWQCTGGGQX-WUXMJOGZSA-N 0 0 544.652 4.701 40 10 KJCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)NC1=S ZINC000408914260 1066696072 /nfs/dbraw/zinc/69/60/72/1066696072.db2.gz OYWCNFDWFKZCRT-AWNIVKPZSA-N 0 0 544.652 4.701 40 10 KJCBRN CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)NC1=S ZINC000408914561 1066696124 /nfs/dbraw/zinc/69/61/24/1066696124.db2.gz YLCAYOUOADIFJF-WUXMJOGZSA-N 0 0 500.201 4.591 40 10 KJCBRN 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CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408916664 1066694293 /nfs/dbraw/zinc/69/42/93/1066694293.db2.gz FVTQNYYNLPASQB-MKMNVTDBSA-N 0 0 591.254 4.832 40 10 KJCBRN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408916969 1066266584 /nfs/dbraw/zinc/26/65/84/1066266584.db2.gz JTVLUCLLUOSGLJ-WLRTZDKTSA-N 0 0 530.227 4.600 40 10 KJCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408918000 1066706821 /nfs/dbraw/zinc/70/68/21/1066706821.db2.gz DXEXRIQCXBPUOV-MKMNVTDBSA-N 0 0 544.254 4.990 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000408920262 1066705115 /nfs/dbraw/zinc/70/51/15/1066705115.db2.gz DPUSMYPXCBCGOP-UHFFFAOYSA-N 0 0 547.599 4.567 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408920938 1066200080 /nfs/dbraw/zinc/20/00/80/1066200080.db2.gz LYIBKTRBJCAOMP-BIWBSIMWSA-N 0 0 565.761 4.764 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408920939 1066270088 /nfs/dbraw/zinc/27/00/88/1066270088.db2.gz LYIBKTRBJCAOMP-ZGOFBEGVSA-N 0 0 565.761 4.764 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000408921003 1066703947 /nfs/dbraw/zinc/70/39/47/1066703947.db2.gz QOQZDQKTIWRXGJ-UHFFFAOYSA-N 0 0 528.074 4.510 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408921230 1066703520 /nfs/dbraw/zinc/70/35/20/1066703520.db2.gz BCVVJZVQXFVARI-CVXGXVHTSA-N 0 0 555.700 4.995 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408921232 1066703383 /nfs/dbraw/zinc/70/33/83/1066703383.db2.gz BCVVJZVQXFVARI-ZIRCPPMYSA-N 0 0 555.700 4.995 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000408922267 1066702467 /nfs/dbraw/zinc/70/24/67/1066702467.db2.gz 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ZINC000408926268 1066700086 /nfs/dbraw/zinc/70/00/86/1066700086.db2.gz LZUCISKMZVCIEI-DBXPASCUSA-N 0 0 543.714 4.928 40 10 KJCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 ZINC000408926426 1066271972 /nfs/dbraw/zinc/27/19/72/1066271972.db2.gz UJRIDGDYEZRMQD-IGSWSUAKSA-N 0 0 586.577 4.737 40 10 KJCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 ZINC000408926432 1066699302 /nfs/dbraw/zinc/69/93/02/1066699302.db2.gz UJRIDGDYEZRMQD-YMSBRDKKSA-N 0 0 586.577 4.737 40 10 KJCBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)c(I)c1 ZINC000408928023 1066709982 /nfs/dbraw/zinc/70/99/82/1066709982.db2.gz UNAZDGHLOCDPNK-SRZZPIQSSA-N 0 0 511.388 4.777 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408928310 1066709501 /nfs/dbraw/zinc/70/95/01/1066709501.db2.gz ZRSVWICCOXRCOZ-VPHSIRQSSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408928311 1066709546 /nfs/dbraw/zinc/70/95/46/1066709546.db2.gz ZRSVWICCOXRCOZ-YVBHXKDBSA-N 0 0 571.699 4.531 40 10 KJCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C ZINC000408928918 1066709041 /nfs/dbraw/zinc/70/90/41/1066709041.db2.gz GAGTWMYFTYRFBJ-RGVLZGJSSA-N 0 0 525.359 4.866 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408930142 1066275058 /nfs/dbraw/zinc/27/50/58/1066275058.db2.gz SNWBGTADJJTNNV-LPYMAVHISA-N 0 0 508.372 4.736 40 10 KJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 ZINC000408931884 1066716503 /nfs/dbraw/zinc/71/65/03/1066716503.db2.gz ROFAGVVYGWCOOO-UCQKPKSFSA-N 0 0 503.580 4.864 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1OCC ZINC000408931960 1066716547 /nfs/dbraw/zinc/71/65/47/1066716547.db2.gz AFIXRLOOKDAYJK-FZLFTDMCSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1OCC ZINC000408931961 1066716654 /nfs/dbraw/zinc/71/66/54/1066716654.db2.gz AFIXRLOOKDAYJK-MSHBYRINSA-N 0 0 636.568 4.986 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408931989 1066716518 /nfs/dbraw/zinc/71/65/18/1066716518.db2.gz ANWVOTBLVCXDQJ-FHGOPSEHSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408931990 1066716494 /nfs/dbraw/zinc/71/64/94/1066716494.db2.gz ANWVOTBLVCXDQJ-UDFIABOWSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n32)cc1OCC ZINC000408932202 1066278297 /nfs/dbraw/zinc/27/82/97/1066278297.db2.gz BOERIDAFJUAEII-HJRUQSCCSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n32)cc1OCC ZINC000408932204 1066715999 /nfs/dbraw/zinc/71/59/99/1066715999.db2.gz BOERIDAFJUAEII-SWFNHZAASA-N 0 0 585.726 4.840 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 ZINC000408932428 1066716137 /nfs/dbraw/zinc/71/61/37/1066716137.db2.gz CBSJFCKVLKLFSQ-XKZIYDEJSA-N 0 0 507.543 4.695 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408932645 1066716160 /nfs/dbraw/zinc/71/61/60/1066716160.db2.gz DEBRIXBIEVWSIQ-HJRUQSCCSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408932646 1066716100 /nfs/dbraw/zinc/71/61/00/1066716100.db2.gz DEBRIXBIEVWSIQ-SWFNHZAASA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccccc5C)c4C)c(=O)n32)cc1OCC ZINC000408932763 1066275703 /nfs/dbraw/zinc/27/57/03/1066275703.db2.gz DWSSNSJSWAVFIU-FHGOPSEHSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccccc5C)c4C)c(=O)n32)cc1OCC ZINC000408932766 1066715961 /nfs/dbraw/zinc/71/59/61/1066715961.db2.gz DWSSNSJSWAVFIU-UDFIABOWSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1OCC ZINC000408932862 1066716048 /nfs/dbraw/zinc/71/60/48/1066716048.db2.gz FFJUVIAYKBZTCR-FZLFTDMCSA-N 0 0 683.568 4.828 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1OCC ZINC000408932863 1066200772 /nfs/dbraw/zinc/20/07/72/1066200772.db2.gz FFJUVIAYKBZTCR-MSHBYRINSA-N 0 0 683.568 4.828 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3sc(=CC4=CC(=NNc5ccccc5)C=CC4=O)c(=O)n32)cc1OCC ZINC000408933145 1066275613 /nfs/dbraw/zinc/27/56/13/1066275613.db2.gz HWMDBYBLFGSQEP-KFYZYYKXSA-N 0 0 584.654 4.937 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3sc(=CC4=CC(=NNc5ccccc5)C=CC4=O)c(=O)n32)cc1OCC ZINC000408933146 1066715514 /nfs/dbraw/zinc/71/55/14/1066715514.db2.gz HWMDBYBLFGSQEP-OLVBPMSFSA-N 0 0 584.654 4.937 40 10 KJCBRN CCCOc1c(I)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC ZINC000408933470 1066715101 /nfs/dbraw/zinc/71/51/01/1066715101.db2.gz AECWQGLJJUKMPG-LDADJPATSA-N 0 0 518.351 4.921 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934051 1066711708 /nfs/dbraw/zinc/71/17/08/1066711708.db2.gz KWZWCZDYRVTQBV-FZLFTDMCSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934052 1066711673 /nfs/dbraw/zinc/71/16/73/1066711673.db2.gz KWZWCZDYRVTQBV-MSHBYRINSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCC ZINC000408934274 1066276185 /nfs/dbraw/zinc/27/61/85/1066276185.db2.gz DNJPVYRCNOPHPR-GZTJUZNOSA-N 0 0 504.324 4.531 40 10 KJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935334 1066713404 /nfs/dbraw/zinc/71/34/04/1066713404.db2.gz CWXFOMLRNOSNIB-FYJGNVAPSA-N 0 0 569.433 4.976 40 10 KJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935573 1066712838 /nfs/dbraw/zinc/71/28/38/1066712838.db2.gz DCYKKRLEMYLDHP-FYJGNVAPSA-N 0 0 524.982 4.867 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1OCC ZINC000408935747 1066277391 /nfs/dbraw/zinc/27/73/91/1066277391.db2.gz NNGWVIVRXVCYRF-OYBDOCOOSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1OCC ZINC000408935749 1066712931 /nfs/dbraw/zinc/71/29/31/1066712931.db2.gz NNGWVIVRXVCYRF-QICARQTCSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408935776 1066277457 /nfs/dbraw/zinc/27/74/57/1066277457.db2.gz NRKHQYKGXWHXHH-BZQABXOYSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408935778 1066712881 /nfs/dbraw/zinc/71/28/81/1066712881.db2.gz NRKHQYKGXWHXHH-TWIDMGDKSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(Cl)ccc3OC)C(C(=O)OC)=C(C)N=4)c2C)cc1 ZINC000408937564 1066280266 /nfs/dbraw/zinc/28/02/66/1066280266.db2.gz GVBGJAKUSYIRDS-UPWSPCOFSA-N 0 0 620.127 4.654 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Cl)ccc3OC)C(C(=O)OC)=C(C)N=4)c2C)cc1 ZINC000408937566 1066728021 /nfs/dbraw/zinc/72/80/21/1066728021.db2.gz GVBGJAKUSYIRDS-ZJTZAHLKSA-N 0 0 620.127 4.654 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408938146 1066727546 /nfs/dbraw/zinc/72/75/46/1066727546.db2.gz RVZAWMWQFQIAKP-HJRUQSCCSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408938150 1066727435 /nfs/dbraw/zinc/72/74/35/1066727435.db2.gz RVZAWMWQFQIAKP-SWFNHZAASA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938256 1066727000 /nfs/dbraw/zinc/72/70/00/1066727000.db2.gz PQZOWNCQUNAFCM-XQNSMLJCSA-N 0 0 504.564 4.603 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)c(=O)n32)cc1OCC ZINC000408938912 1066726580 /nfs/dbraw/zinc/72/65/80/1066726580.db2.gz SQAOGZMIYSCZGV-HJRUQSCCSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)c(=O)n32)cc1OCC ZINC000408938915 1066726626 /nfs/dbraw/zinc/72/66/26/1066726626.db2.gz SQAOGZMIYSCZGV-SWFNHZAASA-N 0 0 585.726 4.840 40 10 KJCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408939193 1066278983 /nfs/dbraw/zinc/27/89/83/1066278983.db2.gz IDVUJNHIDJSVOY-NFYDWNOTSA-N 0 0 566.054 4.617 40 10 KJCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408939200 1066726291 /nfs/dbraw/zinc/72/62/91/1066726291.db2.gz IDVUJNHIDJSVOY-ZFWDJNJRSA-N 0 0 566.054 4.617 40 10 KJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408939227 1066726177 /nfs/dbraw/zinc/72/61/77/1066726177.db2.gz LWTXOMYKLXSDNK-FYJGNVAPSA-N 0 0 616.433 4.818 40 10 KJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 ZINC000408942491 1066282745 /nfs/dbraw/zinc/28/27/45/1066282745.db2.gz QWHSJBMHDVPXFA-KGENOOAVSA-N 0 0 539.407 4.967 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(CC)cc5)c4C)c(=O)n32)cc1OCC ZINC000408943221 1066722228 /nfs/dbraw/zinc/72/22/28/1066722228.db2.gz YNFKVSXYIFZXSL-BLIVLRGHSA-N 0 0 585.726 4.785 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(CC)cc5)c4C)c(=O)n32)cc1OCC ZINC000408943224 1066722420 /nfs/dbraw/zinc/72/24/20/1066722420.db2.gz YNFKVSXYIFZXSL-IUBRTPTASA-N 0 0 585.726 4.785 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(I)c5)c4C)c(=O)n32)cc1OCC ZINC000408943945 1066283227 /nfs/dbraw/zinc/28/32/27/1066283227.db2.gz ZSSLKABVKWAUAA-OYBDOCOOSA-N 0 0 683.568 4.828 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(I)c5)c4C)c(=O)n32)cc1OCC ZINC000408943947 1066717228 /nfs/dbraw/zinc/71/72/28/1066717228.db2.gz ZSSLKABVKWAUAA-QICARQTCSA-N 0 0 683.568 4.828 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408944874 1066720369 /nfs/dbraw/zinc/72/03/69/1066720369.db2.gz GZEVGYDOFWSXHE-LMSRTUJASA-N 0 0 598.563 4.804 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408944879 1066720289 /nfs/dbraw/zinc/72/02/89/1066720289.db2.gz GZEVGYDOFWSXHE-RISWYLRJSA-N 0 0 598.563 4.804 40 10 KJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408945595 1066719797 /nfs/dbraw/zinc/71/97/97/1066719797.db2.gz WXXRKGUFPIOLGN-PXLXIMEGSA-N 0 0 539.407 4.967 40 10 KJCBRN CCCOc1c(I)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408945953 1066719149 /nfs/dbraw/zinc/71/91/49/1066719149.db2.gz XTOBXDKXTYADFH-GZTJUZNOSA-N 0 0 504.324 4.531 40 10 KJCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408948981 1066731415 /nfs/dbraw/zinc/73/14/15/1066731415.db2.gz RUSVRKVEVFXLTF-IYVASWNSSA-N 0 0 562.091 4.786 40 10 KJCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408948985 1066731489 /nfs/dbraw/zinc/73/14/89/1066731489.db2.gz RUSVRKVEVFXLTF-ORVZPOCUSA-N 0 0 562.091 4.786 40 10 KJCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n21 ZINC000408951710 1066729645 /nfs/dbraw/zinc/72/96/45/1066729645.db2.gz NIGUQWOVMAVQPU-DKOMQPSQSA-N 0 0 649.405 4.786 40 10 KJCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n21 ZINC000408951714 1066729640 /nfs/dbraw/zinc/72/96/40/1066729640.db2.gz NIGUQWOVMAVQPU-IZBTWGKQSA-N 0 0 649.405 4.786 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(O)c1 ZINC000408955297 1066287644 /nfs/dbraw/zinc/28/76/44/1066287644.db2.gz XYUDXSSGYKNONC-NFYDWNOTSA-N 0 0 614.562 4.510 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(O)c1 ZINC000408955302 1066735977 /nfs/dbraw/zinc/73/59/77/1066735977.db2.gz XYUDXSSGYKNONC-ZFWDJNJRSA-N 0 0 614.562 4.510 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408957572 1066742989 /nfs/dbraw/zinc/74/29/89/1066742989.db2.gz TYKNRSIVOIIARP-IYVASWNSSA-N 0 0 628.589 4.813 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408957574 1066742937 /nfs/dbraw/zinc/74/29/37/1066742937.db2.gz TYKNRSIVOIIARP-ORVZPOCUSA-N 0 0 628.589 4.813 40 10 KJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1 ZINC000408964626 1066290522 /nfs/dbraw/zinc/29/05/22/1066290522.db2.gz DWACOJQWTFBLSM-IWIPYMOSSA-N 0 0 533.606 4.954 40 10 KJCBRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 ZINC000408965782 1066739423 /nfs/dbraw/zinc/73/94/23/1066739423.db2.gz IMZADQOCNIWZCW-XYGWBWBKSA-N 0 0 500.599 4.932 40 10 KJCBRN CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C ZINC000408966188 1066289943 /nfs/dbraw/zinc/28/99/43/1066289943.db2.gz KIYNQDAGUHCZPU-HMAPJEAMSA-N 0 0 521.415 4.950 40 10 KJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)c1 ZINC000408967458 1066291567 /nfs/dbraw/zinc/29/15/67/1066291567.db2.gz RTBFISBJPOZPPP-HAHDFKILSA-N 0 0 503.580 4.946 40 10 KJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)c2C)c1 ZINC000408967835 1066745044 /nfs/dbraw/zinc/74/50/44/1066745044.db2.gz VDVVPSLUMKWJBJ-IMRQLAEWSA-N 0 0 588.686 4.782 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967856 1066291366 /nfs/dbraw/zinc/29/13/66/1066291366.db2.gz SKUORRXIXLBFRP-USHMODERSA-N 0 0 555.679 4.760 40 10 KJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408968459 1066291598 /nfs/dbraw/zinc/29/15/98/1066291598.db2.gz ZAKPNXWALIVPBI-UCQKPKSFSA-N 0 0 565.424 4.565 40 10 KJCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCCOc3ccc(Br)cc3)c(Cl)c2)C(=O)N(C)C1=O ZINC000408969128 1066744868 /nfs/dbraw/zinc/74/48/68/1066744868.db2.gz HTZSZTGKKQFBBB-UHFFFAOYSA-N 0 0 528.186 4.648 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1O ZINC000408970068 1066291580 /nfs/dbraw/zinc/29/15/80/1066291580.db2.gz ZSRZKUKKADSDMR-JYRVWZFOSA-N 0 0 502.230 4.744 40 10 KJCBRN O=C1/C(=C\c2cc(I)cc(I)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970732 1066292227 /nfs/dbraw/zinc/29/22/27/1066292227.db2.gz CRQSDILODNRWJS-GHXNOFRVSA-N 0 0 584.073 4.950 40 10 KJCBRN O=C1/C(=C\c2cc(Br)c(I)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971469 1066292113 /nfs/dbraw/zinc/29/21/13/1066292113.db2.gz OYRJDYOEWZNZEX-POHAHGRESA-N 0 0 511.035 4.995 40 10 KJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OC ZINC000408971602 1066743988 /nfs/dbraw/zinc/74/39/88/1066743988.db2.gz JZBAGNSKMFLAPW-JYRVWZFOSA-N 0 0 502.230 4.657 40 10 KJCBRN CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1 ZINC000408971849 1066743885 /nfs/dbraw/zinc/74/38/85/1066743885.db2.gz QZOJEOXUGWELKY-UHFFFAOYSA-N 0 0 533.046 4.680 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000408972653 1066743445 /nfs/dbraw/zinc/74/34/45/1066743445.db2.gz QHMZAIQVWDNRFL-DHDCSXOGSA-N 0 0 574.293 4.590 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c(OC)c1 ZINC000408975643 1066291941 /nfs/dbraw/zinc/29/19/41/1066291941.db2.gz BSCZQPVNSSBZMS-FUFNRSNVSA-N 0 0 633.568 4.720 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c(OC)c1 ZINC000408975644 1066746492 /nfs/dbraw/zinc/74/64/92/1066746492.db2.gz BSCZQPVNSSBZMS-PRLWALMFSA-N 0 0 633.568 4.720 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408978713 1066293500 /nfs/dbraw/zinc/29/35/00/1066293500.db2.gz ASHMXWGRKDOBGJ-CRCYZHLCSA-N 0 0 562.091 4.868 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408978714 1066754998 /nfs/dbraw/zinc/75/49/98/1066754998.db2.gz ASHMXWGRKDOBGJ-FQKMCRJQSA-N 0 0 562.091 4.868 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408978730 1066755026 /nfs/dbraw/zinc/75/50/26/1066755026.db2.gz AYHMTRXBGRFSBX-RGFRMHDHSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408978731 1066754946 /nfs/dbraw/zinc/75/49/46/1066754946.db2.gz AYHMTRXBGRFSBX-XQNWCSQWSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408978948 1066747093 /nfs/dbraw/zinc/74/70/93/1066747093.db2.gz BBPMTLCZKDOXCB-KEPJHFNWSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408978949 1066746956 /nfs/dbraw/zinc/74/69/56/1066746956.db2.gz BBPMTLCZKDOXCB-MIUGUJGPSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408979417 1066753999 /nfs/dbraw/zinc/75/39/99/1066753999.db2.gz CKZPQNGBGCLPIX-JLHDDXNDSA-N 0 0 568.743 4.889 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408979419 1066754465 /nfs/dbraw/zinc/75/44/65/1066754465.db2.gz CKZPQNGBGCLPIX-PYCBVSLESA-N 0 0 568.743 4.889 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1 ZINC000408980155 1066753968 /nfs/dbraw/zinc/75/39/68/1066753968.db2.gz DXCAGPHGROMUHQ-CRCYZHLCSA-N 0 0 529.662 4.724 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 ZINC000408980156 1066754007 /nfs/dbraw/zinc/75/40/07/1066754007.db2.gz DXCAGPHGROMUHQ-FQKMCRJQSA-N 0 0 529.662 4.724 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408980249 1066753541 /nfs/dbraw/zinc/75/35/41/1066753541.db2.gz FGHDXVLFHBWOKE-FHQMNNMHSA-N 0 0 569.683 4.551 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408980252 1066293514 /nfs/dbraw/zinc/29/35/14/1066293514.db2.gz FGHDXVLFHBWOKE-IPAKXIGBSA-N 0 0 569.683 4.551 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408980257 1066753509 /nfs/dbraw/zinc/75/35/09/1066753509.db2.gz FGQVFQJAQXBFHN-INJWXVQMSA-N 0 0 650.551 4.706 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408980260 1066753576 /nfs/dbraw/zinc/75/35/76/1066753576.db2.gz FGQVFQJAQXBFHN-ZCWBPALNSA-N 0 0 650.551 4.706 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408980283 1066753585 /nfs/dbraw/zinc/75/35/85/1066753585.db2.gz FIUAWOAWPLLHLE-HRIDGTDGSA-N 0 0 555.700 4.831 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408980286 1066753537 /nfs/dbraw/zinc/75/35/37/1066753537.db2.gz FIUAWOAWPLLHLE-NULZLWRNSA-N 0 0 555.700 4.831 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408980380 1066293410 /nfs/dbraw/zinc/29/34/10/1066293410.db2.gz WBQCQGJSOKYHKT-DDBFQISPSA-N 0 0 582.726 4.737 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408980381 1066753523 /nfs/dbraw/zinc/75/35/23/1066753523.db2.gz WBQCQGJSOKYHKT-WWWKDLBZSA-N 0 0 582.726 4.737 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980534 1066753036 /nfs/dbraw/zinc/75/30/36/1066753036.db2.gz FLEIAEIKDVMMAV-HRIDGTDGSA-N 0 0 571.699 4.531 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980535 1066752936 /nfs/dbraw/zinc/75/29/36/1066752936.db2.gz FLEIAEIKDVMMAV-NULZLWRNSA-N 0 0 571.699 4.531 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408980546 1066752991 /nfs/dbraw/zinc/75/29/91/1066752991.db2.gz FNLBGQCYGOKCTG-INJWXVQMSA-N 0 0 590.101 4.976 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408980547 1066753052 /nfs/dbraw/zinc/75/30/52/1066753052.db2.gz FNLBGQCYGOKCTG-ZCWBPALNSA-N 0 0 590.101 4.976 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408980577 1066752944 /nfs/dbraw/zinc/75/29/44/1066752944.db2.gz FSPCVXHEWJISMM-FHQMNNMHSA-N 0 0 569.683 4.551 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408980578 1066753558 /nfs/dbraw/zinc/75/35/58/1066753558.db2.gz FSPCVXHEWJISMM-IPAKXIGBSA-N 0 0 569.683 4.551 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000408980601 1066291957 /nfs/dbraw/zinc/29/19/57/1066291957.db2.gz FZLJXQRUUXJHKE-HRIDGTDGSA-N 0 0 555.700 4.911 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000408980602 1066753636 /nfs/dbraw/zinc/75/36/36/1066753636.db2.gz FZLJXQRUUXJHKE-NULZLWRNSA-N 0 0 555.700 4.911 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000408980775 1066292824 /nfs/dbraw/zinc/29/28/24/1066292824.db2.gz XJKYHNLAXRXOGR-DDIUQFJASA-N 0 0 612.752 4.746 40 10 KJCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000408980776 1066753081 /nfs/dbraw/zinc/75/30/81/1066753081.db2.gz XJKYHNLAXRXOGR-IMUCPKNRSA-N 0 0 612.752 4.746 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 ZINC000408980965 1066752670 /nfs/dbraw/zinc/75/26/70/1066752670.db2.gz GWXIREYSTSFGBY-ITIZVALFSA-N 0 0 536.053 4.761 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1 ZINC000408980966 1066292664 /nfs/dbraw/zinc/29/26/64/1066292664.db2.gz GWXIREYSTSFGBY-YXDQGSNCSA-N 0 0 536.053 4.761 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000408980969 1066752585 /nfs/dbraw/zinc/75/25/85/1066752585.db2.gz GXKHDCQAKNDRRW-RGFRMHDHSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408980970 1066752599 /nfs/dbraw/zinc/75/25/99/1066752599.db2.gz GXKHDCQAKNDRRW-XQNWCSQWSA-N 0 0 541.673 4.523 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980981 1066752676 /nfs/dbraw/zinc/75/26/76/1066752676.db2.gz HASXCQBTPDLEGM-ITNPZBTBSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980984 1066752647 /nfs/dbraw/zinc/75/26/47/1066752647.db2.gz HASXCQBTPDLEGM-UAMLYEQYSA-N 0 0 585.726 4.840 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408980999 1066752607 /nfs/dbraw/zinc/75/26/07/1066752607.db2.gz HCQUEJJVYODLRX-CCVBWGSMSA-N 0 0 576.074 4.588 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408981000 1066752652 /nfs/dbraw/zinc/75/26/52/1066752652.db2.gz HCQUEJJVYODLRX-ZWTBYVTRSA-N 0 0 576.074 4.588 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408981003 1066753046 /nfs/dbraw/zinc/75/30/46/1066753046.db2.gz HDBPPUOEAUNGEL-RGFRMHDHSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408981004 1066753008 /nfs/dbraw/zinc/75/30/08/1066753008.db2.gz HDBPPUOEAUNGEL-XQNWCSQWSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408981032 1066292922 /nfs/dbraw/zinc/29/29/22/1066292922.db2.gz HJZASHUYKCZRJJ-RGFRMHDHSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408981034 1066753000 /nfs/dbraw/zinc/75/30/00/1066753000.db2.gz HJZASHUYKCZRJJ-XQNWCSQWSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000408981512 1066752178 /nfs/dbraw/zinc/75/21/78/1066752178.db2.gz IBRPGVJOVOBCRV-HRIDGTDGSA-N 0 0 555.700 4.831 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408981514 1066292600 /nfs/dbraw/zinc/29/26/00/1066292600.db2.gz IBRPGVJOVOBCRV-NULZLWRNSA-N 0 0 555.700 4.831 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408981596 1066752250 /nfs/dbraw/zinc/75/22/50/1066752250.db2.gz IIIOHACABLWLJF-CRCYZHLCSA-N 0 0 562.091 4.868 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000408981598 1066752197 /nfs/dbraw/zinc/75/21/97/1066752197.db2.gz IIIOHACABLWLJF-FQKMCRJQSA-N 0 0 562.091 4.868 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1 ZINC000408982264 1066751258 /nfs/dbraw/zinc/75/12/58/1066751258.db2.gz JICWWMXJENGAJN-CRCYZHLCSA-N 0 0 529.662 4.724 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 ZINC000408982266 1066751300 /nfs/dbraw/zinc/75/13/00/1066751300.db2.gz JICWWMXJENGAJN-FQKMCRJQSA-N 0 0 529.662 4.724 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408982268 1066751323 /nfs/dbraw/zinc/75/13/23/1066751323.db2.gz JIOKIXRUFMIDOY-GKTKDVHMSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408982270 1066751748 /nfs/dbraw/zinc/75/17/48/1066751748.db2.gz JIOKIXRUFMIDOY-WQNUKSJVSA-N 0 0 592.117 4.876 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408982929 1066751320 /nfs/dbraw/zinc/75/13/20/1066751320.db2.gz KBXYCNFDLLTFED-JGTYQCAFSA-N 0 0 538.094 4.921 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408982932 1066751230 /nfs/dbraw/zinc/75/12/30/1066751230.db2.gz KBXYCNFDLLTFED-LYRGBEMXSA-N 0 0 538.094 4.921 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408983534 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ZINC000408991803 1066757380 /nfs/dbraw/zinc/75/73/80/1066757380.db2.gz YUXUNLFEBRAYQM-UQDCTOEPSA-N 0 0 664.578 4.764 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408991810 1066757391 /nfs/dbraw/zinc/75/73/91/1066757391.db2.gz YVQLICOQEOWRPH-JLHDDXNDSA-N 0 0 568.743 4.889 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408991813 1066757344 /nfs/dbraw/zinc/75/73/44/1066757344.db2.gz YVQLICOQEOWRPH-PYCBVSLESA-N 0 0 568.743 4.889 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408991840 1066295996 /nfs/dbraw/zinc/29/59/96/1066295996.db2.gz YYTFLHTVMFSODH-GKTKDVHMSA-N 0 0 587.723 4.656 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408991843 1066295831 /nfs/dbraw/zinc/29/58/31/1066295831.db2.gz YYTFLHTVMFSODH-WQNUKSJVSA-N 0 0 587.723 4.656 40 10 KJCBRN 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/nfs/dbraw/zinc/75/55/92/1066755592.db2.gz ATEWRRFHDNRWIT-UHSZJLINSA-N 0 0 526.589 4.829 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408995629 1066755414 /nfs/dbraw/zinc/75/54/14/1066755414.db2.gz CWGIESKPOQAKMA-DIBXZPPDSA-N 0 0 526.589 4.628 40 10 KJCBRN CCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1OCC ZINC000408996413 1066761675 /nfs/dbraw/zinc/76/16/75/1066761675.db2.gz DMFPPPRTEGBUAF-JWGURIENSA-N 0 0 509.599 4.807 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408996658 1066761678 /nfs/dbraw/zinc/76/16/78/1066761678.db2.gz MBIUMUDMRNKUIG-RGFRMHDHSA-N 0 0 601.750 4.714 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408996659 1066297117 /nfs/dbraw/zinc/29/71/17/1066297117.db2.gz MBIUMUDMRNKUIG-XQNWCSQWSA-N 0 0 601.750 4.714 40 10 KJCBRN 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UFJCRZWUYSWVOW-ZPVURNRZSA-N 0 0 618.553 4.773 40 10 KJCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000408998291 1066298384 /nfs/dbraw/zinc/29/83/84/1066298384.db2.gz PUNRWFPQFLGVFC-YBFXNURJSA-N 0 0 525.319 4.874 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408998512 1066767294 /nfs/dbraw/zinc/76/72/94/1066767294.db2.gz QUFNFAZTWAOHHP-QRVIBDJDSA-N 0 0 506.942 4.823 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408999313 1066298981 /nfs/dbraw/zinc/29/89/81/1066298981.db2.gz UQGZGGRCXQCCON-KQWNVCNZSA-N 0 0 516.525 4.729 40 10 KJCBRN Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408999421 1066767378 /nfs/dbraw/zinc/76/73/78/1066767378.db2.gz KXIRJCGMKJAILM-XIEYBQDHSA-N 0 0 542.617 4.797 40 10 KJCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C ZINC000409000227 1066298991 /nfs/dbraw/zinc/29/89/91/1066298991.db2.gz MZFXQVKSXIRMLI-YBFXNURJSA-N 0 0 572.319 4.716 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000409000316 1066766795 /nfs/dbraw/zinc/76/67/95/1066766795.db2.gz XTGOANGYXNCDJE-XHPQRKPJSA-N 0 0 556.615 4.637 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409001524 1066765837 /nfs/dbraw/zinc/76/58/37/1066765837.db2.gz WKJYUCSHYWBOFP-LCQSEVKBSA-N 0 0 664.578 4.764 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409001525 1066765769 /nfs/dbraw/zinc/76/57/69/1066765769.db2.gz WKJYUCSHYWBOFP-UQDCTOEPSA-N 0 0 664.578 4.764 40 10 KJCBRN O=C(CNS(=O)(=O)c1ccc(I)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409002239 1066765810 /nfs/dbraw/zinc/76/58/10/1066765810.db2.gz MMSZGFNDXLPSQM-OCOZRVBESA-N 0 0 520.352 4.624 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409002710 1066765304 /nfs/dbraw/zinc/76/53/04/1066765304.db2.gz PEOXFNAROKNNAR-ASLZUZDJSA-N 0 0 540.616 4.824 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409002711 1066765181 /nfs/dbraw/zinc/76/51/81/1066765181.db2.gz PEOXFNAROKNNAR-GYMHQZMGSA-N 0 0 540.616 4.824 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409003065 1066299794 /nfs/dbraw/zinc/29/97/94/1066299794.db2.gz CTIJRDLKMPOPPS-LDADJPATSA-N 0 0 572.376 4.858 40 10 KJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409003673 1066301219 /nfs/dbraw/zinc/30/12/19/1066301219.db2.gz JMNQTZNRXUYDSJ-ZVHZXABRSA-N 0 0 547.995 4.682 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000409004108 1066764306 /nfs/dbraw/zinc/76/43/06/1066764306.db2.gz OCQUXPUEMRPWKU-WGOQTCKBSA-N 0 0 541.604 4.727 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409004305 1066763851 /nfs/dbraw/zinc/76/38/51/1066763851.db2.gz PHBRVFLDZYYVFV-ZVHZXABRSA-N 0 0 592.446 4.791 40 10 KJCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)NC1=S ZINC000409004341 1066299496 /nfs/dbraw/zinc/29/94/96/1066299496.db2.gz ALVUTDKQJQBKRB-SXGWCWSVSA-N 0 0 526.250 4.877 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409005215 1066763482 /nfs/dbraw/zinc/76/34/82/1066763482.db2.gz SHFOJKVQFNUPHN-WSDLNYQXSA-N 0 0 572.376 4.858 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409005253 1066763523 /nfs/dbraw/zinc/76/35/23/1066763523.db2.gz TWWSERDGBSFZQM-ZVHZXABRSA-N 0 0 592.446 4.791 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1 ZINC000409005320 1066763474 /nfs/dbraw/zinc/76/34/74/1066763474.db2.gz UYHHEMSUFIZPFL-WPWMEQJKSA-N 0 0 599.640 4.595 40 10 KJCBRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)NC1=S ZINC000409007438 1066300719 /nfs/dbraw/zinc/30/07/19/1066300719.db2.gz QATYGZQMKTVZRU-YBEGLDIGSA-N 0 0 543.224 4.710 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3c(F)cccc3Cl)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409007577 1066300681 /nfs/dbraw/zinc/30/06/81/1066300681.db2.gz XZFYSBLOSVKPBR-UHFFFAOYSA-N 0 0 566.482 4.681 40 10 KJCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S ZINC000409007798 1066774658 /nfs/dbraw/zinc/77/46/58/1066774658.db2.gz RQZWMAMAHBTMHP-SXGWCWSVSA-N 0 0 541.221 4.776 40 10 KJCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409007879 1066774649 /nfs/dbraw/zinc/77/46/49/1066774649.db2.gz RCMXFGPOYAHDJL-UHFFFAOYSA-N 0 0 623.298 4.678 40 10 KJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409007915 1066774527 /nfs/dbraw/zinc/77/45/27/1066774527.db2.gz RSMZCVBVUFLEFI-JJIBRWJFSA-N 0 0 542.617 4.797 40 10 KJCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC1=S ZINC000409008008 1066774600 /nfs/dbraw/zinc/77/46/00/1066774600.db2.gz UMEFYJJRMIURRD-SXGWCWSVSA-N 0 0 541.221 4.776 40 10 KJCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008584 1066302138 /nfs/dbraw/zinc/30/21/38/1066302138.db2.gz YGZRRWXFOHRSGA-UHFFFAOYSA-N 0 0 557.647 4.614 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br ZINC000409009018 1066302191 /nfs/dbraw/zinc/30/21/91/1066302191.db2.gz BDVFIYDREQFPHD-HAVVHWLPSA-N 0 0 557.514 4.680 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000409009061 1066774137 /nfs/dbraw/zinc/77/41/37/1066774137.db2.gz STXKAHDLJWXQET-BUVRLJJBSA-N 0 0 547.995 4.764 40 10 KJCBRN CCN1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409009250 1066301115 /nfs/dbraw/zinc/30/11/15/1066301115.db2.gz CKNFWBAXAVBYBY-OQLLNIDSSA-N 0 0 556.809 4.525 40 10 KJCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409009260 1066774245 /nfs/dbraw/zinc/77/42/45/1066774245.db2.gz CPATWRUYBGXZSD-SRZZPIQSSA-N 0 0 548.423 4.560 40 10 KJCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409009261 1066774175 /nfs/dbraw/zinc/77/41/75/1066774175.db2.gz CPBPWOCNZZRRRE-TURZUDJPSA-N 0 0 578.687 4.688 40 10 KJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009310 1066774253 /nfs/dbraw/zinc/77/42/53/1066774253.db2.gz DCGBVADESHMSJK-HIQXPHMNSA-N 0 0 541.025 4.845 40 10 KJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009311 1066774165 /nfs/dbraw/zinc/77/41/65/1066774165.db2.gz DCGBVADESHMSJK-SYXCRGJESA-N 0 0 541.025 4.845 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009408 1066774219 /nfs/dbraw/zinc/77/42/19/1066774219.db2.gz FKGJYPJSZKFGGJ-OEAKJJBVSA-N 0 0 526.998 4.597 40 10 KJCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009436 1066301077 /nfs/dbraw/zinc/30/10/77/1066301077.db2.gz FVIBIMQBFFQUAS-YDZHTSKRSA-N 0 0 561.443 4.938 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1F ZINC000409009622 1066773794 /nfs/dbraw/zinc/77/37/94/1066773794.db2.gz GZUXVHGJYQMQHS-KOEQRZSOSA-N 0 0 518.614 4.618 40 10 KJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409009778 1066301316 /nfs/dbraw/zinc/30/13/16/1066301316.db2.gz ICPPPIWJYQYATN-HIQXPHMNSA-N 0 0 585.476 4.954 40 10 KJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409009780 1066773825 /nfs/dbraw/zinc/77/38/25/1066773825.db2.gz ICPPPIWJYQYATN-SYXCRGJESA-N 0 0 585.476 4.954 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409009912 1066773782 /nfs/dbraw/zinc/77/37/82/1066773782.db2.gz ALZUJPHCABBBOZ-BUVRLJJBSA-N 0 0 582.440 4.757 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010078 1066773651 /nfs/dbraw/zinc/77/36/51/1066773651.db2.gz JKTHAXUJRZBZRC-YZSQISJMSA-N 0 0 550.633 4.733 40 10 KJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O ZINC000409010694 1066773752 /nfs/dbraw/zinc/77/37/52/1066773752.db2.gz DBJQXKCHYJYEHA-DZBQEORWSA-N 0 0 524.380 4.687 40 10 KJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O ZINC000409010696 1066301739 /nfs/dbraw/zinc/30/17/39/1066301739.db2.gz DBJQXKCHYJYEHA-JVVDOCDTSA-N 0 0 524.380 4.687 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409010709 1066773700 /nfs/dbraw/zinc/77/37/00/1066773700.db2.gz DDMIVUOFUJVLHM-PCLIKHOPSA-N 0 0 578.021 4.854 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O ZINC000409010912 1066773291 /nfs/dbraw/zinc/77/32/91/1066773291.db2.gz DQEREAVAMNCEFW-OQLLNIDSSA-N 0 0 556.809 4.613 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409011348 1066772800 /nfs/dbraw/zinc/77/28/00/1066772800.db2.gz HHJJLBDLPNDNLD-BUVRLJJBSA-N 0 0 601.475 4.797 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409011354 1066772899 /nfs/dbraw/zinc/77/28/99/1066772899.db2.gz HHNAUXYUDNYXHL-LPYMAVHISA-N 0 0 575.412 4.537 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011363 1066773338 /nfs/dbraw/zinc/77/33/38/1066773338.db2.gz HIUONLJAGNDTQT-ZVHZXABRSA-N 0 0 541.025 4.906 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000409011726 1066772843 /nfs/dbraw/zinc/77/28/43/1066772843.db2.gz HIPRRQFEOXWQIY-MHWRWJLKSA-N 0 0 570.836 4.916 40 10 KJCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409011776 1066772379 /nfs/dbraw/zinc/77/23/79/1066772379.db2.gz IMXMMKFDDDHWEX-HAHDFKILSA-N 0 0 522.399 4.882 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409011780 1066772454 /nfs/dbraw/zinc/77/24/54/1066772454.db2.gz HPHDASIOACWESK-PXLXIMEGSA-N 0 0 642.492 4.774 40 10 KJCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409011868 1066772929 /nfs/dbraw/zinc/77/29/29/1066772929.db2.gz ORMRGKOFBOSOQW-ZVHZXABRSA-N 0 0 541.025 4.593 40 10 KJCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409011938 1066772425 /nfs/dbraw/zinc/77/24/25/1066772425.db2.gz PFAFXUQXFZOWDU-XQNSMLJCSA-N 0 0 569.399 4.724 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409012118 1066301676 /nfs/dbraw/zinc/30/16/76/1066301676.db2.gz JEZQYPMLAULHJU-SRZZPIQSSA-N 0 0 515.326 4.931 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409012351 1066772412 /nfs/dbraw/zinc/77/24/12/1066772412.db2.gz JGEZOUUFLQFWLL-YDZHTSKRSA-N 0 0 584.412 4.727 40 10 KJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409012643 1066302093 /nfs/dbraw/zinc/30/20/93/1066302093.db2.gz KWIDCZNLFLAVAF-HYARGMPZSA-N 0 0 563.470 4.526 40 10 KJCBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409012647 1066772022 /nfs/dbraw/zinc/77/20/22/1066772022.db2.gz RBNJXJIBDLRMCB-ITYLOYPMSA-N 0 0 536.588 4.614 40 10 KJCBRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012663 1066771855 /nfs/dbraw/zinc/77/18/55/1066771855.db2.gz KZJPHLASEIRKKB-OQLLNIDSSA-N 0 0 509.809 4.683 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012707 1066302268 /nfs/dbraw/zinc/30/22/68/1066302268.db2.gz RJHFATUXWABNSE-OEAKJJBVSA-N 0 0 526.998 4.597 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409012992 1066771934 /nfs/dbraw/zinc/77/19/34/1066771934.db2.gz SEDWMUVVACCVAV-FYJGNVAPSA-N 0 0 568.413 4.714 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409013052 1066772004 /nfs/dbraw/zinc/77/20/04/1066772004.db2.gz MBJAWMRVMNAQGU-YDZHTSKRSA-N 0 0 568.413 4.714 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409013285 1066302301 /nfs/dbraw/zinc/30/23/01/1066302301.db2.gz UFQAVDJWPAUFDE-MFKUBSTISA-N 0 0 612.466 4.765 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013641 1066771503 /nfs/dbraw/zinc/77/15/03/1066771503.db2.gz CHDXVVJENSRDHY-OEAKJJBVSA-N 0 0 526.998 4.597 40 10 KJCBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013706 1066771371 /nfs/dbraw/zinc/77/13/71/1066771371.db2.gz DHEKDNZZMQBXES-OQLLNIDSSA-N 0 0 509.809 4.683 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409013771 1066771378 /nfs/dbraw/zinc/77/13/78/1066771378.db2.gz VHAXCVJLGQEUBW-DEDYPNTBSA-N 0 0 575.412 4.537 40 10 KJCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013957 1066770965 /nfs/dbraw/zinc/77/09/65/1066770965.db2.gz OCHJHKSYMQHIPL-MFKUBSTISA-N 0 0 555.052 4.935 40 10 KJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409013972 1066203024 /nfs/dbraw/zinc/20/30/24/1066203024.db2.gz OFSYHTQPOPYRIP-ITYLOYPMSA-N 0 0 514.651 4.788 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)c1C ZINC000409014011 1066771046 /nfs/dbraw/zinc/77/10/46/1066771046.db2.gz OLQIKQOSLSIDHE-OVVQPSECSA-N 0 0 572.687 4.574 40 10 KJCBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409014070 1066771406 /nfs/dbraw/zinc/77/14/06/1066771406.db2.gz OTVPRSGBYDRKTN-UQQQWYQISA-N 0 0 557.006 4.959 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409014266 1066302730 /nfs/dbraw/zinc/30/27/30/1066302730.db2.gz WUUXHOIMIPTGBH-PXLXIMEGSA-N 0 0 582.440 4.757 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409014352 1066771074 /nfs/dbraw/zinc/77/10/74/1066771074.db2.gz OYLFTXYUXIABSE-KOEQRZSOSA-N 0 0 518.614 4.618 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409014461 1066771085 /nfs/dbraw/zinc/77/10/85/1066771085.db2.gz PJYRFRJQBPCJMU-ZVHZXABRSA-N 0 0 547.995 4.682 40 10 KJCBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409014481 1066771096 /nfs/dbraw/zinc/77/10/96/1066771096.db2.gz PONGVUBVGBLRFS-ITYLOYPMSA-N 0 0 536.588 4.614 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 ZINC000409014483 1066770950 /nfs/dbraw/zinc/77/09/50/1066770950.db2.gz PPEYEDRJWOJHNS-DEDYPNTBSA-N 0 0 554.386 4.719 40 10 KJCBRN CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409014499 1066771013 /nfs/dbraw/zinc/77/10/13/1066771013.db2.gz PULNZKFZRJSWPC-YZSQISJMSA-N 0 0 534.634 4.672 40 10 KJCBRN COCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409014843 1066770452 /nfs/dbraw/zinc/77/04/52/1066770452.db2.gz QAXFIOBVCAWSDO-MTDXEUNCSA-N 0 0 578.687 4.607 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O ZINC000409015161 1066770420 /nfs/dbraw/zinc/77/04/20/1066770420.db2.gz APLVOIHOVBTZJE-OQLLNIDSSA-N 0 0 509.809 4.770 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409015215 1066303218 /nfs/dbraw/zinc/30/32/18/1066303218.db2.gz AWUJWCORFCDDGA-ZVHZXABRSA-N 0 0 547.995 4.682 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015353 1066770372 /nfs/dbraw/zinc/77/03/72/1066770372.db2.gz ROTXOYOFALTVFN-OEAKJJBVSA-N 0 0 571.449 4.706 40 10 KJCBRN COCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000409015354 1066770341 /nfs/dbraw/zinc/77/03/41/1066770341.db2.gz RPXXEKXNVZKKTJ-YZSQISJMSA-N 0 0 585.078 4.643 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409015453 1066770023 /nfs/dbraw/zinc/77/00/23/1066770023.db2.gz ATQVYNGUNFECTD-ITNPZBTBSA-N 0 0 613.736 4.698 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409015460 1066769986 /nfs/dbraw/zinc/76/99/86/1066769986.db2.gz ATQVYNGUNFECTD-UAMLYEQYSA-N 0 0 613.736 4.698 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409015531 1066769941 /nfs/dbraw/zinc/76/99/41/1066769941.db2.gz SKCURXZBAWVLPL-OOAXWGSJSA-N 0 0 514.626 4.966 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409015574 1066769966 /nfs/dbraw/zinc/76/99/66/1066769966.db2.gz SOEMMJXSVKOCGJ-OEAKJJBVSA-N 0 0 578.021 4.691 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409015633 1066770042 /nfs/dbraw/zinc/77/00/42/1066770042.db2.gz OUFKOCLBMSBGLI-ZXVVBBHZSA-N 0 0 599.709 4.688 40 10 KJCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409016410 1066769515 /nfs/dbraw/zinc/76/95/15/1066769515.db2.gz SLQLLQSJDALGGS-UQQQWYQISA-N 0 0 524.533 4.623 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409016470 1066768974 /nfs/dbraw/zinc/76/89/74/1066768974.db2.gz CRCUSCVXSMTMDD-ZVHZXABRSA-N 0 0 562.022 4.990 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409016548 1066303250 /nfs/dbraw/zinc/30/32/50/1066303250.db2.gz DKQVXDJVUOOFIE-PCLIKHOPSA-N 0 0 520.607 4.642 40 10 KJCBRN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409016869 1066768881 /nfs/dbraw/zinc/76/88/81/1066768881.db2.gz UAKNYPDWXFJAGB-BAACNHRGSA-N 0 0 501.377 4.652 40 10 KJCBRN CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409016870 1066768889 /nfs/dbraw/zinc/76/88/89/1066768889.db2.gz UAKNYPDWXFJAGB-UYPHOHSBSA-N 0 0 501.377 4.652 40 10 KJCBRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409016940 1066769015 /nfs/dbraw/zinc/76/90/15/1066769015.db2.gz BRJIPPNEARTWJW-JLKMOJGBSA-N 0 0 584.742 4.669 40 10 KJCBRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409016944 1066768960 /nfs/dbraw/zinc/76/89/60/1066768960.db2.gz BRJIPPNEARTWJW-UNDLXJOSSA-N 0 0 584.742 4.669 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409017149 1066775018 /nfs/dbraw/zinc/77/50/18/1066775018.db2.gz FCARGKAXMIQMET-MFKUBSTISA-N 0 0 520.607 4.561 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000409017188 1066775073 /nfs/dbraw/zinc/77/50/73/1066775073.db2.gz XMLBBERQIKXMKR-BUVRLJJBSA-N 0 0 592.446 4.873 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409017243 1066775142 /nfs/dbraw/zinc/77/51/42/1066775142.db2.gz FJIBXWUHNXRMNK-BUVRLJJBSA-N 0 0 541.025 4.987 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409017251 1066774950 /nfs/dbraw/zinc/77/49/50/1066774950.db2.gz YCVKATOGSDVBKY-IVQFASICSA-N 0 0 641.746 4.810 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409017259 1066775046 /nfs/dbraw/zinc/77/50/46/1066775046.db2.gz YCVKATOGSDVBKY-SELCLYCASA-N 0 0 641.746 4.810 40 10 KJCBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cc(Cl)cc(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 ZINC000409017396 1066302663 /nfs/dbraw/zinc/30/26/63/1066302663.db2.gz WHQDJWUFYFFPBY-ZVHZXABRSA-N 0 0 626.449 4.895 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409017433 1066784537 /nfs/dbraw/zinc/78/45/37/1066784537.db2.gz ZXPIEBWOZCOWPT-XKZIYDEJSA-N 0 0 554.388 4.539 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409017519 1066784418 /nfs/dbraw/zinc/78/44/18/1066784418.db2.gz XBWXVHGBAPZREI-DEDYPNTBSA-N 0 0 554.386 4.719 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409017579 1066784432 /nfs/dbraw/zinc/78/44/32/1066784432.db2.gz MPVFRKXPTUIUSM-QUNTYYFUSA-N 0 0 634.154 4.963 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409017583 1066302618 /nfs/dbraw/zinc/30/26/18/1066302618.db2.gz MPVFRKXPTUIUSM-SZYVSPPHSA-N 0 0 634.154 4.963 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017746 1066784030 /nfs/dbraw/zinc/78/40/30/1066784030.db2.gz GYNLBWPDBBRDAJ-HAVVHWLPSA-N 0 0 501.608 4.834 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409017829 1066784014 /nfs/dbraw/zinc/78/40/14/1066784014.db2.gz HWPXQDSQVFUNPE-ASUJOLEISA-N 0 0 614.768 4.679 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409017837 1066783976 /nfs/dbraw/zinc/78/39/76/1066783976.db2.gz HWPXQDSQVFUNPE-OGMUYLFESA-N 0 0 614.768 4.679 40 10 KJCBRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409018023 1066302742 /nfs/dbraw/zinc/30/27/42/1066302742.db2.gz PKQZGQRMFXWHOT-OIUASMPBSA-N 0 0 614.768 4.678 40 10 KJCBRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409018024 1066783568 /nfs/dbraw/zinc/78/35/68/1066783568.db2.gz PKQZGQRMFXWHOT-QQMBNGEASA-N 0 0 614.768 4.678 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(OC)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409018321 1066783132 /nfs/dbraw/zinc/78/31/32/1066783132.db2.gz KUZMIURHDZFIQM-OCDQFKQQSA-N 0 0 643.762 4.707 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(OC)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409018325 1066783102 /nfs/dbraw/zinc/78/31/02/1066783102.db2.gz KUZMIURHDZFIQM-OKMHPQNISA-N 0 0 643.762 4.707 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409018356 1066783140 /nfs/dbraw/zinc/78/31/40/1066783140.db2.gz UPRICIZNKATARI-PXLXIMEGSA-N 0 0 518.595 4.965 40 10 KJCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)c1 ZINC000409018637 1066783117 /nfs/dbraw/zinc/78/31/17/1066783117.db2.gz HXGGJABSSXRWRX-OVVQPSECSA-N 0 0 572.687 4.574 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409018695 1066302711 /nfs/dbraw/zinc/30/27/11/1066302711.db2.gz IHBRLAAPPWUBSU-LPYMAVHISA-N 0 0 598.837 4.828 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409018699 1066302907 /nfs/dbraw/zinc/30/29/07/1066302907.db2.gz XTFPJCFXQYBIHA-LPYMAVHISA-N 0 0 598.439 4.723 40 10 KJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409018723 1066783147 /nfs/dbraw/zinc/78/31/47/1066783147.db2.gz YQYDIEDNZGCKGQ-CVKSISIWSA-N 0 0 541.604 4.645 40 10 KJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409018792 1066302697 /nfs/dbraw/zinc/30/26/97/1066302697.db2.gz ZGKJLUZSHBUSQX-LPYMAVHISA-N 0 0 560.434 4.847 40 10 KJCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409018794 1066302928 /nfs/dbraw/zinc/30/29/28/1066302928.db2.gz ZGODZLPDAABLPF-TURZUDJPSA-N 0 0 578.687 4.688 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000409018809 1066783094 /nfs/dbraw/zinc/78/30/94/1066783094.db2.gz ZIQUQGPDQCEKFN-HYARGMPZSA-N 0 0 526.998 4.597 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)C(C(=O)OC)=C2C)cc1 ZINC000409018830 1066783188 /nfs/dbraw/zinc/78/31/88/1066783188.db2.gz VTRYUOMWEDHXKU-UYRXBGFRSA-N 0 0 500.345 4.512 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409019171 1066782657 /nfs/dbraw/zinc/78/26/57/1066782657.db2.gz PRVWNSAWBGCBFH-QPJBPQEWSA-N 0 0 529.637 4.653 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409019177 1066782717 /nfs/dbraw/zinc/78/27/17/1066782717.db2.gz PRVWNSAWBGCBFH-QTTRZTASSA-N 0 0 529.637 4.653 40 10 KJCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)c1 ZINC000409019426 1066782693 /nfs/dbraw/zinc/78/26/93/1066782693.db2.gz JAFLDXGEJRRXRB-ZXVVBBHZSA-N 0 0 572.687 4.656 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C(=O)N(c2ccccc2)C1=S ZINC000409019571 1066782341 /nfs/dbraw/zinc/78/23/41/1066782341.db2.gz UNYAKLXDWIEEQI-PXLXIMEGSA-N 0 0 518.595 4.965 40 10 KJCBRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409019634 1066782299 /nfs/dbraw/zinc/78/22/99/1066782299.db2.gz VIEBAORJGPQTDG-FJNIOPPGSA-N 0 0 585.726 4.920 40 10 KJCBRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409019637 1066782348 /nfs/dbraw/zinc/78/23/48/1066782348.db2.gz VIEBAORJGPQTDG-TZUCAZQYSA-N 0 0 585.726 4.920 40 10 KJCBRN COCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000409020099 1066781777 /nfs/dbraw/zinc/78/17/77/1066781777.db2.gz LWKSEBBSJSVCNY-WPWMEQJKSA-N 0 0 599.105 4.952 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409020224 1066781842 /nfs/dbraw/zinc/78/18/42/1066781842.db2.gz MUNCAFLAUWVBCJ-ZVHZXABRSA-N 0 0 547.995 4.682 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020261 1066781854 /nfs/dbraw/zinc/78/18/54/1066781854.db2.gz NGHQHHYMFGJIKS-HZHRSRAPSA-N 0 0 526.998 4.679 40 10 KJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020741 1066781923 /nfs/dbraw/zinc/78/19/23/1066781923.db2.gz SSDPDWBLWIGGCQ-WGOQTCKBSA-N 0 0 534.634 4.951 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409020844 1066781915 /nfs/dbraw/zinc/78/19/15/1066781915.db2.gz UQODPFSUQVDYKR-ZVHZXABRSA-N 0 0 585.476 4.702 40 10 KJCBRN CCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409021060 1066781806 /nfs/dbraw/zinc/78/18/06/1066781806.db2.gz XJNHAYOXOXMIGN-XNTDXEJSSA-N 0 0 526.783 4.517 40 10 KJCBRN CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409021091 1066781281 /nfs/dbraw/zinc/78/12/81/1066781281.db2.gz XTFWRHMGMHIHJE-UEIJICEPSA-N 0 0 531.403 4.660 40 10 KJCBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409021092 1066781351 /nfs/dbraw/zinc/78/13/51/1066781351.db2.gz XTFWRHMGMHIHJE-YZYPPFLQSA-N 0 0 531.403 4.660 40 10 KJCBRN CCOc1c(I)cc(/C=C2/C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409021106 1066781369 /nfs/dbraw/zinc/78/13/69/1066781369.db2.gz XYIGVTYDGKISDI-YBEGLDIGSA-N 0 0 570.836 4.916 40 10 KJCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409021141 1066781378 /nfs/dbraw/zinc/78/13/78/1066781378.db2.gz YGUMPHPJAINDPO-XQNSMLJCSA-N 0 0 522.399 4.882 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000409021165 1066781317 /nfs/dbraw/zinc/78/13/17/1066781317.db2.gz YMTSGDBUZOXDOJ-UHFFFAOYSA-N 0 0 562.519 4.584 40 10 KJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C1=O ZINC000409021217 1066781421 /nfs/dbraw/zinc/78/14/21/1066781421.db2.gz ZDLWRLGBSZPXGB-MXDDHBLUSA-N 0 0 538.407 4.995 40 10 KJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C1=O ZINC000409021218 1066781231 /nfs/dbraw/zinc/78/12/31/1066781231.db2.gz ZDLWRLGBSZPXGB-VUQQOUJSSA-N 0 0 538.407 4.995 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409021361 1066303793 /nfs/dbraw/zinc/30/37/93/1066303793.db2.gz DCVBSHDXPMKHDY-OBDCIHEFSA-N 0 0 613.736 4.698 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cccc(OC)c3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409021362 1066781245 /nfs/dbraw/zinc/78/12/45/1066781245.db2.gz DCVBSHDXPMKHDY-SJXDCSIJSA-N 0 0 613.736 4.698 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409021470 1066781223 /nfs/dbraw/zinc/78/12/23/1066781223.db2.gz JMAHPGJTKRQFPC-MRWVFDTMSA-N 0 0 643.762 4.708 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409021471 1066303655 /nfs/dbraw/zinc/30/36/55/1066303655.db2.gz JMAHPGJTKRQFPC-NBQDTTAVSA-N 0 0 643.762 4.708 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409021519 1066303756 /nfs/dbraw/zinc/30/37/56/1066303756.db2.gz LMRQDBKRLFEHSJ-JJIBRWJFSA-N 0 0 501.608 4.834 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409021789 1066780867 /nfs/dbraw/zinc/78/08/67/1066780867.db2.gz YJXOSDLZNQBWJP-QRVIBDJDSA-N 0 0 568.415 4.847 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409021866 1066303848 /nfs/dbraw/zinc/30/38/48/1066303848.db2.gz COWHLZGUJFTLNV-LCQSEVKBSA-N 0 0 604.128 4.954 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409021867 1066780501 /nfs/dbraw/zinc/78/05/01/1066780501.db2.gz COWHLZGUJFTLNV-UQDCTOEPSA-N 0 0 604.128 4.954 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409022108 1066780371 /nfs/dbraw/zinc/78/03/71/1066780371.db2.gz JMVAJTDEHKITMS-MRWVFDTMSA-N 0 0 612.752 4.781 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409022110 1066304471 /nfs/dbraw/zinc/30/44/71/1066304471.db2.gz JMVAJTDEHKITMS-NBQDTTAVSA-N 0 0 612.752 4.781 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409022183 1066304449 /nfs/dbraw/zinc/30/44/49/1066304449.db2.gz HWMFWVAXIOUQKN-PXLXIMEGSA-N 0 0 518.595 4.965 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409022268 1066304231 /nfs/dbraw/zinc/30/42/31/1066304231.db2.gz LTBDAZOCYYVQQR-NNAGEYCMSA-N 0 0 586.783 4.994 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409022269 1066304524 /nfs/dbraw/zinc/30/45/24/1066304524.db2.gz LTBDAZOCYYVQQR-PQRKSKNISA-N 0 0 586.783 4.994 40 10 KJCBRN CCCN1C(=O)/C(=C\c2cc(I)c(OC)c(OCC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409022512 1066304507 /nfs/dbraw/zinc/30/45/07/1066304507.db2.gz QXIGWXMBTINEFC-SFQUDFHCSA-N 0 0 550.418 4.652 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409023286 1066778917 /nfs/dbraw/zinc/77/89/17/1066778917.db2.gz WRONQBDDZVJYBP-RGFRMHDHSA-N 0 0 575.134 4.925 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409023287 1066778854 /nfs/dbraw/zinc/77/88/54/1066778854.db2.gz WRONQBDDZVJYBP-XQNWCSQWSA-N 0 0 575.134 4.925 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409023920 1066304851 /nfs/dbraw/zinc/30/48/51/1066304851.db2.gz NFGRDFIWMIXABS-WSDLNYQXSA-N 0 0 507.388 4.696 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409023937 1066778398 /nfs/dbraw/zinc/77/83/98/1066778398.db2.gz NUNDWIUGBICZQG-HRIDGTDGSA-N 0 0 601.725 4.540 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409023938 1066778449 /nfs/dbraw/zinc/77/84/49/1066778449.db2.gz NUNDWIUGBICZQG-NULZLWRNSA-N 0 0 601.725 4.540 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409024124 1066305212 /nfs/dbraw/zinc/30/52/12/1066305212.db2.gz WRFSJQJUGYOSAI-VPHSIRQSSA-N 0 0 605.160 4.934 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409024125 1066778463 /nfs/dbraw/zinc/77/84/63/1066778463.db2.gz WRFSJQJUGYOSAI-YVBHXKDBSA-N 0 0 605.160 4.934 40 10 KJCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409024151 1066306004 /nfs/dbraw/zinc/30/60/04/1066306004.db2.gz AHARLBVOGUINHW-MFOYZWKCSA-N 0 0 587.233 4.748 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409024239 1066304146 /nfs/dbraw/zinc/30/41/46/1066304146.db2.gz HRCZVQWCFMCGRO-ZDLGFXPLSA-N 0 0 540.354 4.514 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409024391 1066778050 /nfs/dbraw/zinc/77/80/50/1066778050.db2.gz RWTORKQWHAXRST-JLHDDXNDSA-N 0 0 584.742 4.669 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409024394 1066777901 /nfs/dbraw/zinc/77/79/01/1066777901.db2.gz RWTORKQWHAXRST-PYCBVSLESA-N 0 0 584.742 4.669 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1F ZINC000409024423 1066777862 /nfs/dbraw/zinc/77/78/62/1066777862.db2.gz LBYWUWUDEGCKIA-ZDLGFXPLSA-N 0 0 540.354 4.514 40 10 KJCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409024719 1066777396 /nfs/dbraw/zinc/77/73/96/1066777396.db2.gz GPLZGHHZUXFTRP-MFOYZWKCSA-N 0 0 542.782 4.639 40 10 KJCBRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409024771 1066777545 /nfs/dbraw/zinc/77/75/45/1066777545.db2.gz WLUSELQDDYLWGI-PKYOQBLNSA-N 0 0 555.700 4.911 40 10 KJCBRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409024775 1066777460 /nfs/dbraw/zinc/77/74/60/1066777460.db2.gz WLUSELQDDYLWGI-USDTVRPUSA-N 0 0 555.700 4.911 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc(F)c1 ZINC000409024974 1066306024 /nfs/dbraw/zinc/30/60/24/1066306024.db2.gz ONNVRHCWIGHKLW-ZDLGFXPLSA-N 0 0 540.354 4.514 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)S1 ZINC000409025266 1066776970 /nfs/dbraw/zinc/77/69/70/1066776970.db2.gz OVXFHFHKHHTHLF-MFOYZWKCSA-N 0 0 510.207 4.897 40 10 KJCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409025744 1066776825 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/nfs/dbraw/zinc/78/68/26/1066786826.db2.gz BEBKFEWVDAVIBR-CRCYZHLCSA-N 0 0 584.138 4.792 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3O)sc2=N1 ZINC000409036249 1066786706 /nfs/dbraw/zinc/78/67/06/1066786706.db2.gz BEBKFEWVDAVIBR-FQKMCRJQSA-N 0 0 584.138 4.792 40 10 KJCBRN CCOC(=O)COc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)cc1OC ZINC000409036363 1066786417 /nfs/dbraw/zinc/78/64/17/1066786417.db2.gz RCNMXCSFMBLUOL-SDQBBNPISA-N 0 0 610.273 4.743 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036516 1066785991 /nfs/dbraw/zinc/78/59/91/1066785991.db2.gz ROAXCQVUXGOYON-FPWMYLJGSA-N 0 0 657.789 4.773 40 10 KJCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000409036521 1066786338 /nfs/dbraw/zinc/78/63/38/1066786338.db2.gz LLGTVXVWEXKLCG-MKWGYRPRSA-N 0 0 576.516 4.968 40 10 KJCBRN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048409 1066821540 /nfs/dbraw/zinc/82/15/40/1066821540.db2.gz WMFITCPYBRMCDY-AJAYTNACSA-N 0 0 755.631 4.761 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048414 1066821521 /nfs/dbraw/zinc/82/15/21/1066821521.db2.gz WMFITCPYBRMCDY-XKNCUGLGSA-N 0 0 755.631 4.761 40 10 KJCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)sc2=N1 ZINC000409048492 1066822189 /nfs/dbraw/zinc/82/21/89/1066822189.db2.gz WYIAYMAZPMKBMF-ASZNLBCTSA-N 0 0 525.674 4.823 40 10 KJCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)sc2=N1 ZINC000409048493 1066822136 /nfs/dbraw/zinc/82/21/36/1066822136.db2.gz WYIAYMAZPMKBMF-YNMQQHPQSA-N 0 0 525.674 4.823 40 10 KJCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409048833 1066813385 /nfs/dbraw/zinc/81/33/85/1066813385.db2.gz UGGKCWWCTYJRHZ-XSFVSMFZSA-N 0 0 533.968 4.731 40 10 KJCBRN O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409049505 1066813284 /nfs/dbraw/zinc/81/32/84/1066813284.db2.gz XGOLLPYQYAILQQ-YBFXNURJSA-N 0 0 510.333 4.677 40 10 KJCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC(=O)OC ZINC000409049899 195497955 /nfs/dbraw/zinc/49/79/55/195497955.db2.gz RGKKQWBRNQMXNH-VZUCSPMQSA-N 0 0 518.822 4.792 40 10 KJCBRN CCc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)OC)=C(CC)N=4)c2C)cc1 ZINC000409050342 195499329 /nfs/dbraw/zinc/49/93/29/195499329.db2.gz UVAUKJYKOWADLC-FHMSYZJOSA-N 0 0 525.674 4.768 40 10 KJCBRN CCc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)OC)=C(CC)N=4)c2C)cc1 ZINC000409050343 1066314362 /nfs/dbraw/zinc/31/43/62/1066314362.db2.gz UVAUKJYKOWADLC-OXWVMCNISA-N 0 0 525.674 4.768 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409051156 1066818714 /nfs/dbraw/zinc/81/87/14/1066818714.db2.gz AYSJTZMKVVELKT-HDFSHUSISA-N 0 0 575.731 4.504 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409051157 195501665 /nfs/dbraw/zinc/50/16/65/195501665.db2.gz AYSJTZMKVVELKT-LAUBZIAYSA-N 0 0 575.731 4.504 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409051774 195503144 /nfs/dbraw/zinc/50/31/44/195503144.db2.gz BRVNEROJFZHBQP-JLPGSUDCSA-N 0 0 500.551 4.767 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409052369 1066817774 /nfs/dbraw/zinc/81/77/74/1066817774.db2.gz DAXILGIHFVITQR-CRCYZHLCSA-N 0 0 626.573 4.568 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409052370 1066817742 /nfs/dbraw/zinc/81/77/42/1066817742.db2.gz DAXILGIHFVITQR-FQKMCRJQSA-N 0 0 626.573 4.568 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409052756 1066817815 /nfs/dbraw/zinc/81/78/15/1066817815.db2.gz IATBQCFNVKIKFY-ABBNRAPFSA-N 0 0 610.574 4.950 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409052760 1066817865 /nfs/dbraw/zinc/81/78/65/1066817865.db2.gz IATBQCFNVKIKFY-CSJROMOCSA-N 0 0 610.574 4.950 40 10 KJCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1 ZINC000409052989 1066817709 /nfs/dbraw/zinc/81/77/09/1066817709.db2.gz FZVJQNVQXSMHJW-RAWKODRKSA-N 0 0 564.711 4.791 40 10 KJCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1 ZINC000409052990 1066817680 /nfs/dbraw/zinc/81/76/80/1066817680.db2.gz FZVJQNVQXSMHJW-XGLKJEJJSA-N 0 0 564.711 4.791 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409053530 1066817174 /nfs/dbraw/zinc/81/71/74/1066817174.db2.gz KRDCPJLSOSMJMR-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000409053630 1066817218 /nfs/dbraw/zinc/81/72/18/1066817218.db2.gz GPEWTEZJNLGONF-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409053698 1066817187 /nfs/dbraw/zinc/81/71/87/1066817187.db2.gz HCUMCKDSKRHNHY-NTWBUQQASA-N 0 0 540.714 4.844 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409053700 1066817275 /nfs/dbraw/zinc/81/72/75/1066817275.db2.gz HCUMCKDSKRHNHY-XKGHIZKOSA-N 0 0 540.714 4.844 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409053741 1066817318 /nfs/dbraw/zinc/81/73/18/1066817318.db2.gz HMIHQJMARXMPCQ-ACJNQYEBSA-N 0 0 552.675 4.922 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409053743 1066817163 /nfs/dbraw/zinc/81/71/63/1066817163.db2.gz HMIHQJMARXMPCQ-HSUOJCLFSA-N 0 0 552.675 4.922 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409053765 1066315576 /nfs/dbraw/zinc/31/55/76/1066315576.db2.gz HQSGSHZINITRPZ-SVXDAGRPSA-N 0 0 593.705 4.655 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409053767 1066817328 /nfs/dbraw/zinc/81/73/28/1066817328.db2.gz HQSGSHZINITRPZ-URFJJRPFSA-N 0 0 593.705 4.655 40 10 KJCBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054112 1066816860 /nfs/dbraw/zinc/81/68/60/1066816860.db2.gz MSNZAWMODTZCDF-ASSGYOTOSA-N 0 0 536.097 4.831 40 10 KJCBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054114 1066816786 /nfs/dbraw/zinc/81/67/86/1066816786.db2.gz MSNZAWMODTZCDF-OGRZUZBBSA-N 0 0 536.097 4.831 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409054202 1066816846 /nfs/dbraw/zinc/81/68/46/1066816846.db2.gz IBMDJHMWKGYWPP-NJGZBDCRSA-N 0 0 565.695 4.544 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409054204 1066816747 /nfs/dbraw/zinc/81/67/47/1066816747.db2.gz IBMDJHMWKGYWPP-STGXNMSHSA-N 0 0 565.695 4.544 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409054233 1066816864 /nfs/dbraw/zinc/81/68/64/1066816864.db2.gz IHAXHQHZAWVANQ-CRCYZHLCSA-N 0 0 626.573 4.568 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409054235 1066315557 /nfs/dbraw/zinc/31/55/57/1066315557.db2.gz IHAXHQHZAWVANQ-FQKMCRJQSA-N 0 0 626.573 4.568 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054391 1066813295 /nfs/dbraw/zinc/81/32/95/1066813295.db2.gz JKLYVLKPFWDEQX-QVOHLBINSA-N 0 0 545.705 4.577 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054394 1066813338 /nfs/dbraw/zinc/81/33/38/1066813338.db2.gz JKLYVLKPFWDEQX-QWYUUOJISA-N 0 0 545.705 4.577 40 10 KJCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1 ZINC000409054564 1066816240 /nfs/dbraw/zinc/81/62/40/1066816240.db2.gz BYDJJDLSWHGNTQ-CMISJSSVSA-N 0 0 547.746 4.817 40 10 KJCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1 ZINC000409054565 1066315539 /nfs/dbraw/zinc/31/55/39/1066315539.db2.gz BYDJJDLSWHGNTQ-DBXPASCUSA-N 0 0 547.746 4.817 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409054647 1066816838 /nfs/dbraw/zinc/81/68/38/1066816838.db2.gz UXIYHBAUMQJPBZ-ODLFYWEKSA-N 0 0 583.469 4.952 40 10 KJCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 ZINC000409054731 1066816182 /nfs/dbraw/zinc/81/61/82/1066816182.db2.gz NNLQYKUXABAHCZ-MFCBUNOESA-N 0 0 610.574 4.867 40 10 KJCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 ZINC000409054735 1066315272 /nfs/dbraw/zinc/31/52/72/1066315272.db2.gz NNLQYKUXABAHCZ-SUAMDDGLSA-N 0 0 610.574 4.867 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409055220 1066815740 /nfs/dbraw/zinc/81/57/40/1066815740.db2.gz KNRHTZNYHFHFTQ-BFOKUZPWSA-N 0 0 567.711 4.869 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409055225 1066815658 /nfs/dbraw/zinc/81/56/58/1066815658.db2.gz KNRHTZNYHFHFTQ-CFEDROAVSA-N 0 0 567.711 4.869 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000409055278 1066815707 /nfs/dbraw/zinc/81/57/07/1066815707.db2.gz DPABKZHEFUSZPU-CBEFOCLBSA-N 0 0 541.698 4.597 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000409055282 1066815711 /nfs/dbraw/zinc/81/57/11/1066815711.db2.gz DPABKZHEFUSZPU-SBICLSTASA-N 0 0 541.698 4.597 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409055551 1066815083 /nfs/dbraw/zinc/81/50/83/1066815083.db2.gz CKVCSQUVWGKYLH-PUUMDJTNSA-N 0 0 559.732 4.539 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409055564 1066315814 /nfs/dbraw/zinc/31/58/14/1066315814.db2.gz CKVCSQUVWGKYLH-QFFYTCKUSA-N 0 0 559.732 4.539 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409055699 1066815014 /nfs/dbraw/zinc/81/50/14/1066815014.db2.gz DDXDKFZXGJRWBD-LCQSEVKBSA-N 0 0 640.600 4.958 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409055703 1066815070 /nfs/dbraw/zinc/81/50/70/1066815070.db2.gz DDXDKFZXGJRWBD-UQDCTOEPSA-N 0 0 640.600 4.958 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409055752 1066315831 /nfs/dbraw/zinc/31/58/31/1066315831.db2.gz AVCXZGCTNCPPFK-IWIPYMOSSA-N 0 0 500.551 4.767 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000409055865 1066815139 /nfs/dbraw/zinc/81/51/39/1066815139.db2.gz LJIHPHVYIFMHOO-NJGZBDCRSA-N 0 0 549.696 4.844 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000409055866 1066815023 /nfs/dbraw/zinc/81/50/23/1066815023.db2.gz LJIHPHVYIFMHOO-STGXNMSHSA-N 0 0 549.696 4.844 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000409055892 1066815101 /nfs/dbraw/zinc/81/51/01/1066815101.db2.gz BPLOFCXFDHSNRA-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000409056144 1066814501 /nfs/dbraw/zinc/81/45/01/1066814501.db2.gz GKERYUBIEHTONJ-HMZQWJBASA-N 0 0 535.669 4.536 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409056150 1066814521 /nfs/dbraw/zinc/81/45/21/1066814521.db2.gz GKERYUBIEHTONJ-MZXOZGJISA-N 0 0 535.669 4.536 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409056183 1066814555 /nfs/dbraw/zinc/81/45/55/1066814555.db2.gz FPAPMOVJKUWEKF-ZEZCTPEWSA-N 0 0 579.722 4.935 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409056187 1066814567 /nfs/dbraw/zinc/81/45/67/1066814567.db2.gz FPAPMOVJKUWEKF-ZJOBTTRRSA-N 0 0 579.722 4.935 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409056217 1066814562 /nfs/dbraw/zinc/81/45/62/1066814562.db2.gz NDLJSLTVCULZNB-CLNXTWJPSA-N 0 0 660.590 4.543 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409056221 1066814550 /nfs/dbraw/zinc/81/45/50/1066814550.db2.gz NDLJSLTVCULZNB-ZHGFHMGHSA-N 0 0 660.590 4.543 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056225 1066814571 /nfs/dbraw/zinc/81/45/71/1066814571.db2.gz FVGLQMKRLKEGEZ-BSGTYYGESA-N 0 0 540.714 4.926 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056226 1066814536 /nfs/dbraw/zinc/81/45/36/1066814536.db2.gz FVGLQMKRLKEGEZ-XIJDOWMKSA-N 0 0 540.714 4.926 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409056237 1066814512 /nfs/dbraw/zinc/81/45/12/1066814512.db2.gz FZFPCCXJBSTJMG-ZEZCTPEWSA-N 0 0 579.722 4.853 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409056239 1066815097 /nfs/dbraw/zinc/81/50/97/1066815097.db2.gz FZFPCCXJBSTJMG-ZJOBTTRRSA-N 0 0 579.722 4.853 40 10 KJCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 ZINC000409056562 1066814524 /nfs/dbraw/zinc/81/45/24/1066814524.db2.gz HIGSIIBNZFMNAL-QYTZQGLJSA-N 0 0 545.705 4.576 40 10 KJCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 ZINC000409056567 1066813943 /nfs/dbraw/zinc/81/39/43/1066813943.db2.gz HIGSIIBNZFMNAL-RBRLEXCSSA-N 0 0 545.705 4.576 40 10 KJCBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n21 ZINC000409056583 1066314870 /nfs/dbraw/zinc/31/48/70/1066314870.db2.gz HLCIHJSEJIJQSS-BIWBSIMWSA-N 0 0 566.123 4.839 40 10 KJCBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n21 ZINC000409056587 1066314727 /nfs/dbraw/zinc/31/47/27/1066314727.db2.gz HLCIHJSEJIJQSS-ZGOFBEGVSA-N 0 0 566.123 4.839 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056714 1066813937 /nfs/dbraw/zinc/81/39/37/1066813937.db2.gz HWYJOZVHYXGGFF-FYVCHBQZSA-N 0 0 534.685 4.864 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056718 1066813784 /nfs/dbraw/zinc/81/37/84/1066813784.db2.gz HWYJOZVHYXGGFF-JGDSNHNJSA-N 0 0 534.685 4.864 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cccs1 ZINC000409057075 1066812805 /nfs/dbraw/zinc/81/28/05/1066812805.db2.gz ILGIAEKURBCJLS-KJANZVAVSA-N 0 0 555.725 4.906 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409057081 1066812877 /nfs/dbraw/zinc/81/28/77/1066812877.db2.gz ILGIAEKURBCJLS-PDUUCECCSA-N 0 0 555.725 4.906 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409057248 1066813346 /nfs/dbraw/zinc/81/33/46/1066813346.db2.gz JHIBTTVTSDYOKZ-CYGYJLBOSA-N 0 0 595.721 4.553 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409057251 1066813890 /nfs/dbraw/zinc/81/38/90/1066813890.db2.gz JHIBTTVTSDYOKZ-YOWYGEOISA-N 0 0 595.721 4.553 40 10 KJCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c1 ZINC000409057296 1066825063 /nfs/dbraw/zinc/82/50/63/1066825063.db2.gz KKBIDJJCIJHYHQ-JUNLCRQGSA-N 0 0 564.711 4.873 40 10 KJCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c1 ZINC000409057299 1066825035 /nfs/dbraw/zinc/82/50/35/1066825035.db2.gz KKBIDJJCIJHYHQ-RMNLPTLGSA-N 0 0 564.711 4.873 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409057318 1066825096 /nfs/dbraw/zinc/82/50/96/1066825096.db2.gz JROJSPUQYPVLQF-NTWBUQQASA-N 0 0 540.714 4.844 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409057319 1066825015 /nfs/dbraw/zinc/82/50/15/1066825015.db2.gz JROJSPUQYPVLQF-XKGHIZKOSA-N 0 0 540.714 4.844 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409057664 1066825058 /nfs/dbraw/zinc/82/50/58/1066825058.db2.gz KPIJDNKIFJWBSK-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409057790 1066825106 /nfs/dbraw/zinc/82/51/06/1066825106.db2.gz MFLLWCADFXFLCP-UCQKPKSFSA-N 0 0 510.015 4.904 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000409057841 1066824972 /nfs/dbraw/zinc/82/49/72/1066824972.db2.gz MLFDMUSKJBSAAE-UHFFFAOYSA-N 0 0 562.519 4.850 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000409057855 1066824990 /nfs/dbraw/zinc/82/49/90/1066824990.db2.gz IIKMLKMMNCJBSK-UHFFFAOYSA-N 0 0 562.519 4.850 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409057864 1066825029 /nfs/dbraw/zinc/82/50/29/1066825029.db2.gz WXSXRIPHCSFJNW-CMISJSSVSA-N 0 0 610.574 4.950 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409057866 1066825049 /nfs/dbraw/zinc/82/50/49/1066825049.db2.gz WXSXRIPHCSFJNW-DBXPASCUSA-N 0 0 610.574 4.950 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409057997 1066824590 /nfs/dbraw/zinc/82/45/90/1066824590.db2.gz QZOMCRPEROVDMS-QSZUEBKQSA-N 0 0 579.722 4.935 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409057998 1066824611 /nfs/dbraw/zinc/82/46/11/1066824611.db2.gz QZOMCRPEROVDMS-XKHCUCNPSA-N 0 0 579.722 4.935 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409058252 1066824647 /nfs/dbraw/zinc/82/46/47/1066824647.db2.gz JXUKLORQCCFGNP-CVXGXVHTSA-N 0 0 575.731 4.586 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409058253 1066824570 /nfs/dbraw/zinc/82/45/70/1066824570.db2.gz JXUKLORQCCFGNP-ZIRCPPMYSA-N 0 0 575.731 4.586 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409058254 1066315034 /nfs/dbraw/zinc/31/50/34/1066315034.db2.gz JYQCGNSGKUZUNC-MRIAHPSYSA-N 0 0 578.738 4.834 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409058255 1066824643 /nfs/dbraw/zinc/82/46/43/1066824643.db2.gz JYQCGNSGKUZUNC-VVLSBWROSA-N 0 0 578.738 4.834 40 10 KJCBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 ZINC000409058269 1066314743 /nfs/dbraw/zinc/31/47/43/1066314743.db2.gz KHVWZYDZTUUZSH-MFCBUNOESA-N 0 0 566.123 4.757 40 10 KJCBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 ZINC000409058272 1066824563 /nfs/dbraw/zinc/82/45/63/1066824563.db2.gz KHVWZYDZTUUZSH-SUAMDDGLSA-N 0 0 566.123 4.757 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409058581 1066824100 /nfs/dbraw/zinc/82/41/00/1066824100.db2.gz SVEJGIWDCYHSMO-MKWGYRPRSA-N 0 0 596.547 4.560 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409058582 1066314824 /nfs/dbraw/zinc/31/48/24/1066314824.db2.gz SVEJGIWDCYHSMO-OCEWKHMESA-N 0 0 596.547 4.560 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409058647 1066824062 /nfs/dbraw/zinc/82/40/62/1066824062.db2.gz UNOZEMBWUUCUFY-HDFSHUSISA-N 0 0 575.731 4.504 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409058649 1066823982 /nfs/dbraw/zinc/82/39/82/1066823982.db2.gz UNOZEMBWUUCUFY-LAUBZIAYSA-N 0 0 575.731 4.504 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409058803 1066314838 /nfs/dbraw/zinc/31/48/38/1066314838.db2.gz LHQSCMGHHFVVMQ-GPYHDHOZSA-N 0 0 549.696 4.926 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000409058806 1066824182 /nfs/dbraw/zinc/82/41/82/1066824182.db2.gz LHQSCMGHHFVVMQ-YFSYDMKQSA-N 0 0 549.696 4.926 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409059018 1066315055 /nfs/dbraw/zinc/31/50/55/1066315055.db2.gz QKLSKKAJUGNEMM-GTWFGUSFSA-N 0 0 596.547 4.560 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409059019 1066823653 /nfs/dbraw/zinc/82/36/53/1066823653.db2.gz QKLSKKAJUGNEMM-SJJVXOANSA-N 0 0 596.547 4.560 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409059092 1066823581 /nfs/dbraw/zinc/82/35/81/1066823581.db2.gz OXKLKZHYFVGJIQ-OXDPQRGISA-N 0 0 593.705 4.573 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409059094 1066823674 /nfs/dbraw/zinc/82/36/74/1066823674.db2.gz OXKLKZHYFVGJIQ-PSAPEEBNSA-N 0 0 593.705 4.573 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409059359 1066823176 /nfs/dbraw/zinc/82/31/76/1066823176.db2.gz MQAWHPDCAWNWKA-CMISJSSVSA-N 0 0 566.123 4.841 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409059361 1066823158 /nfs/dbraw/zinc/82/31/58/1066823158.db2.gz MQAWHPDCAWNWKA-DBXPASCUSA-N 0 0 566.123 4.841 40 10 KJCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n21 ZINC000409059383 1066823018 /nfs/dbraw/zinc/82/30/18/1066823018.db2.gz MTDBECOSPZNTDM-LMSRTUJASA-N 0 0 596.547 4.558 40 10 KJCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n21 ZINC000409059385 1066823167 /nfs/dbraw/zinc/82/31/67/1066823167.db2.gz MTDBECOSPZNTDM-RISWYLRJSA-N 0 0 596.547 4.558 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000409059393 1066823120 /nfs/dbraw/zinc/82/31/20/1066823120.db2.gz WZXCXHXQNUQILV-BCBAPRRZSA-N 0 0 555.725 4.987 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000409059396 1066315487 /nfs/dbraw/zinc/31/54/87/1066315487.db2.gz WZXCXHXQNUQILV-XZVHRBETSA-N 0 0 555.725 4.987 40 10 KJCBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000409059465 1066823035 /nfs/dbraw/zinc/82/30/35/1066823035.db2.gz RIVZCCLFPBKASG-XKZIYDEJSA-N 0 0 524.986 4.803 40 10 KJCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c1 ZINC000409059499 1066823204 /nfs/dbraw/zinc/82/32/04/1066823204.db2.gz RRDCKSQEADLNEJ-JUNLCRQGSA-N 0 0 564.711 4.791 40 10 KJCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c1 ZINC000409059502 1066315224 /nfs/dbraw/zinc/31/52/24/1066315224.db2.gz RRDCKSQEADLNEJ-RMNLPTLGSA-N 0 0 564.711 4.791 40 10 KJCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 ZINC000409059524 1066823028 /nfs/dbraw/zinc/82/30/28/1066823028.db2.gz RVRVPPKKXBRXST-HPFVHPJRSA-N 0 0 547.746 4.899 40 10 KJCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 ZINC000409059527 1066823065 /nfs/dbraw/zinc/82/30/65/1066823065.db2.gz RVRVPPKKXBRXST-WHNPURCTSA-N 0 0 547.746 4.899 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)OC)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409059561 1066823008 /nfs/dbraw/zinc/82/30/08/1066823008.db2.gz SDOIOKXHYCFCKN-UQQQWYQISA-N 0 0 542.588 4.935 40 10 KJCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n21 ZINC000409059630 1066833883 /nfs/dbraw/zinc/83/38/83/1066833883.db2.gz RHPRBJSTAFCVFO-BIWBSIMWSA-N 0 0 610.574 4.948 40 10 KJCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n21 ZINC000409059631 1066833988 /nfs/dbraw/zinc/83/39/88/1066833988.db2.gz RHPRBJSTAFCVFO-ZGOFBEGVSA-N 0 0 610.574 4.948 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409059796 1066833278 /nfs/dbraw/zinc/83/32/78/1066833278.db2.gz XMMCXBNILPYZAR-ACJNQYEBSA-N 0 0 552.675 4.922 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409059799 1066833197 /nfs/dbraw/zinc/83/31/97/1066833197.db2.gz XMMCXBNILPYZAR-HSUOJCLFSA-N 0 0 552.675 4.922 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409059817 1066833365 /nfs/dbraw/zinc/83/33/65/1066833365.db2.gz XSHRPJLWLDBZJD-PVPFEYIBSA-N 0 0 567.686 4.983 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409059824 1066833932 /nfs/dbraw/zinc/83/39/32/1066833932.db2.gz XSHRPJLWLDBZJD-WYQLEPPDSA-N 0 0 567.686 4.983 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409059858 1066833854 /nfs/dbraw/zinc/83/38/54/1066833854.db2.gz OVWUQXGMTBXTNH-ZEZCTPEWSA-N 0 0 579.722 4.853 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409059861 1066833941 /nfs/dbraw/zinc/83/39/41/1066833941.db2.gz OVWUQXGMTBXTNH-ZJOBTTRRSA-N 0 0 579.722 4.853 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1N1CCCC1 ZINC000409059941 1066833326 /nfs/dbraw/zinc/83/33/26/1066833326.db2.gz YZSWGXPAARFNAR-MKWGYRPRSA-N 0 0 536.097 4.749 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1N1CCCC1 ZINC000409059944 1066833159 /nfs/dbraw/zinc/83/31/59/1066833159.db2.gz YZSWGXPAARFNAR-OCEWKHMESA-N 0 0 536.097 4.749 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409059948 1066833300 /nfs/dbraw/zinc/83/33/00/1066833300.db2.gz SSBDHDQKNJIATI-JBDHCHCMSA-N 0 0 640.600 4.877 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409059950 1066833189 /nfs/dbraw/zinc/83/31/89/1066833189.db2.gz SSBDHDQKNJIATI-PIXWUVMMSA-N 0 0 640.600 4.877 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409060132 1066315193 /nfs/dbraw/zinc/31/51/93/1066315193.db2.gz TWYJIYINEAAYQX-PVPFEYIBSA-N 0 0 565.695 4.544 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409060134 1066833225 /nfs/dbraw/zinc/83/32/25/1066833225.db2.gz TWYJIYINEAAYQX-WYQLEPPDSA-N 0 0 565.695 4.544 40 10 KJCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1 ZINC000409060159 1066833149 /nfs/dbraw/zinc/83/31/49/1066833149.db2.gz ZDZANJUZAVRXFQ-CMISJSSVSA-N 0 0 547.746 4.817 40 10 KJCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1 ZINC000409060162 1066315444 /nfs/dbraw/zinc/31/54/44/1066315444.db2.gz ZDZANJUZAVRXFQ-DBXPASCUSA-N 0 0 547.746 4.817 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409060512 1066832840 /nfs/dbraw/zinc/83/28/40/1066832840.db2.gz WXCWXTUOHDEEGO-MYYVYBLQSA-N 0 0 545.705 4.577 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409060514 1066832867 /nfs/dbraw/zinc/83/28/67/1066832867.db2.gz WXCWXTUOHDEEGO-NIJSQZSCSA-N 0 0 545.705 4.577 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c(OC)c1 ZINC000409060620 1066832807 /nfs/dbraw/zinc/83/28/07/1066832807.db2.gz VLXHBPYTZBYHLB-ASUJOLEISA-N 0 0 594.737 4.800 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c(OC)c1 ZINC000409060621 1066315469 /nfs/dbraw/zinc/31/54/69/1066315469.db2.gz VLXHBPYTZBYHLB-OGMUYLFESA-N 0 0 594.737 4.800 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409060722 1066832870 /nfs/dbraw/zinc/83/28/70/1066832870.db2.gz UKLZKEATICFXKH-INZJWMLVSA-N 0 0 526.687 4.536 40 10 KJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409060723 1066832846 /nfs/dbraw/zinc/83/28/46/1066832846.db2.gz UKLZKEATICFXKH-NQCZSQBNSA-N 0 0 526.687 4.536 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409060760 1066832871 /nfs/dbraw/zinc/83/28/71/1066832871.db2.gz XSJIQPZZCVDYSG-NJGZBDCRSA-N 0 0 549.696 4.844 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409060762 1066832815 /nfs/dbraw/zinc/83/28/15/1066832815.db2.gz XSJIQPZZCVDYSG-STGXNMSHSA-N 0 0 549.696 4.844 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409060829 1066832289 /nfs/dbraw/zinc/83/22/89/1066832289.db2.gz WIEFWPTYYFEMLU-PVPFEYIBSA-N 0 0 567.686 4.983 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409060831 1066832324 /nfs/dbraw/zinc/83/23/24/1066832324.db2.gz WIEFWPTYYFEMLU-WYQLEPPDSA-N 0 0 567.686 4.983 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cccs1 ZINC000409060856 1066832348 /nfs/dbraw/zinc/83/23/48/1066832348.db2.gz YRSQWFGAEJWOJV-KJANZVAVSA-N 0 0 555.725 4.906 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409060858 1066832335 /nfs/dbraw/zinc/83/23/35/1066832335.db2.gz YRSQWFGAEJWOJV-PDUUCECCSA-N 0 0 555.725 4.906 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409060859 1066832223 /nfs/dbraw/zinc/83/22/23/1066832223.db2.gz WSIDBYNIAZDHBH-IEIVDPGYSA-N 0 0 609.748 4.943 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409060864 1066832343 /nfs/dbraw/zinc/83/23/43/1066832343.db2.gz WSIDBYNIAZDHBH-LHMNITIUSA-N 0 0 609.748 4.943 40 10 KJCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)cc1 ZINC000409061034 1066832257 /nfs/dbraw/zinc/83/22/57/1066832257.db2.gz BNZBRUSTJMYVMV-FCYPAOMHSA-N 0 0 533.719 4.509 40 10 KJCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)cc1 ZINC000409061036 1066832363 /nfs/dbraw/zinc/83/23/63/1066832363.db2.gz BNZBRUSTJMYVMV-KDSDTBODSA-N 0 0 533.719 4.509 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409061183 1066832357 /nfs/dbraw/zinc/83/23/57/1066832357.db2.gz BSNUXPZQYSBTKX-LHUFKXPTSA-N 0 0 593.749 4.896 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409061186 1066317506 /nfs/dbraw/zinc/31/75/06/1066317506.db2.gz BSNUXPZQYSBTKX-UMWOECMCSA-N 0 0 593.749 4.896 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c(OC)c1 ZINC000409061202 1066832271 /nfs/dbraw/zinc/83/22/71/1066832271.db2.gz XYMJBGLXBKAHMA-CXABMRDKSA-N 0 0 594.737 4.881 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c(OC)c1 ZINC000409061205 1066317444 /nfs/dbraw/zinc/31/74/44/1066317444.db2.gz XYMJBGLXBKAHMA-GJKZIJEQSA-N 0 0 594.737 4.881 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409061255 1066831723 /nfs/dbraw/zinc/83/17/23/1066831723.db2.gz CGNUVZNWEKIWNS-SVXDAGRPSA-N 0 0 593.705 4.573 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409061257 1066831745 /nfs/dbraw/zinc/83/17/45/1066831745.db2.gz CGNUVZNWEKIWNS-URFJJRPFSA-N 0 0 593.705 4.573 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409061281 1066831731 /nfs/dbraw/zinc/83/17/31/1066831731.db2.gz YZFNMTKXTDFYFJ-INZJWMLVSA-N 0 0 533.719 4.511 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409061283 1066831714 /nfs/dbraw/zinc/83/17/14/1066831714.db2.gz YZFNMTKXTDFYFJ-NQCZSQBNSA-N 0 0 533.719 4.511 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409061305 1066831825 /nfs/dbraw/zinc/83/18/25/1066831825.db2.gz CUGQQFHODXQTEV-ITYLOYPMSA-N 0 0 528.605 4.805 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409061343 1066831755 /nfs/dbraw/zinc/83/17/55/1066831755.db2.gz DCANJJIBVYBHBY-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409061379 1066831711 /nfs/dbraw/zinc/83/17/11/1066831711.db2.gz WRUIVIPXCXJPLH-HAHDFKILSA-N 0 0 530.577 4.775 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409061550 1066831678 /nfs/dbraw/zinc/83/16/78/1066831678.db2.gz FKDYVXBJRFDPAE-CYGYJLBOSA-N 0 0 579.722 4.853 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409061551 1066831805 /nfs/dbraw/zinc/83/18/05/1066831805.db2.gz FKDYVXBJRFDPAE-YOWYGEOISA-N 0 0 579.722 4.853 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000409061600 1066831834 /nfs/dbraw/zinc/83/18/34/1066831834.db2.gz YDTODPSXSXRDAG-IWIPYMOSSA-N 0 0 502.567 4.997 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409061828 1066831208 /nfs/dbraw/zinc/83/12/08/1066831208.db2.gz ISTDBMWFXZAHIU-UOOXJCEYSA-N 0 0 553.659 4.675 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409061829 1066831337 /nfs/dbraw/zinc/83/13/37/1066831337.db2.gz ISTDBMWFXZAHIU-ZMVORIFESA-N 0 0 553.659 4.675 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000409062035 1066831243 /nfs/dbraw/zinc/83/12/43/1066831243.db2.gz MEZPGBKSCVGITE-UHFFFAOYSA-N 0 0 548.492 4.542 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409062095 1066831301 /nfs/dbraw/zinc/83/13/01/1066831301.db2.gz NHMAWEVSGUKZEJ-ZEZCTPEWSA-N 0 0 597.737 4.577 40 10 KJCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409062096 1066831359 /nfs/dbraw/zinc/83/13/59/1066831359.db2.gz NHMAWEVSGUKZEJ-ZJOBTTRRSA-N 0 0 597.737 4.577 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409062189 1066831281 /nfs/dbraw/zinc/83/12/81/1066831281.db2.gz PJHQKNBPRKWHNN-OAAUXFBMSA-N 0 0 579.722 4.935 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409062190 1066831273 /nfs/dbraw/zinc/83/12/73/1066831273.db2.gz PJHQKNBPRKWHNN-ZYANMAATSA-N 0 0 579.722 4.935 40 10 KJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409062289 1066830690 /nfs/dbraw/zinc/83/06/90/1066830690.db2.gz RIIQGNCTXFWGKM-XYGWBWBKSA-N 0 0 514.578 4.762 40 10 KJCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409062523 1066830697 /nfs/dbraw/zinc/83/06/97/1066830697.db2.gz WCHZPXKELXOBQK-IWIPYMOSSA-N 0 0 518.595 4.712 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409062530 1066830719 /nfs/dbraw/zinc/83/07/19/1066830719.db2.gz WHJYTSIMEIFAGH-JBDHCHCMSA-N 0 0 640.600 4.877 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409062531 1066830833 /nfs/dbraw/zinc/83/08/33/1066830833.db2.gz WHJYTSIMEIFAGH-PIXWUVMMSA-N 0 0 640.600 4.877 40 10 KJCBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 ZINC000409062536 1066830808 /nfs/dbraw/zinc/83/08/08/1066830808.db2.gz WITCOBZYVCQQHE-MFCBUNOESA-N 0 0 566.123 4.757 40 10 KJCBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 ZINC000409062537 1066315872 /nfs/dbraw/zinc/31/58/72/1066315872.db2.gz WITCOBZYVCQQHE-SUAMDDGLSA-N 0 0 566.123 4.757 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409062598 1066830187 /nfs/dbraw/zinc/83/01/87/1066830187.db2.gz XKFDMUUHWQJRLA-QYJHSCKRSA-N 0 0 609.748 4.861 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409062599 1066830781 /nfs/dbraw/zinc/83/07/81/1066830781.db2.gz XKFDMUUHWQJRLA-XCQFLATRSA-N 0 0 609.748 4.861 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409062615 1066830758 /nfs/dbraw/zinc/83/07/58/1066830758.db2.gz XTCQXHRCFLFNNE-PVPFEYIBSA-N 0 0 567.711 4.950 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409062616 1066830643 /nfs/dbraw/zinc/83/06/43/1066830643.db2.gz XTCQXHRCFLFNNE-WYQLEPPDSA-N 0 0 567.711 4.950 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409062684 1066316141 /nfs/dbraw/zinc/31/61/41/1066316141.db2.gz YXBACIZNSATQNO-PUUMDJTNSA-N 0 0 534.685 4.783 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409062685 1066830647 /nfs/dbraw/zinc/83/06/47/1066830647.db2.gz YXBACIZNSATQNO-QFFYTCKUSA-N 0 0 534.685 4.783 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409062987 1066830177 /nfs/dbraw/zinc/83/01/77/1066830177.db2.gz DYPHINALSZUXQZ-HDFSHUSISA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409062988 1066825561 /nfs/dbraw/zinc/82/55/61/1066825561.db2.gz DYPHINALSZUXQZ-LAUBZIAYSA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409063083 1066825542 /nfs/dbraw/zinc/82/55/42/1066825542.db2.gz GSFSABJCJYPVJA-FPWMYLJGSA-N 0 0 683.787 4.879 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409063084 1066825504 /nfs/dbraw/zinc/82/55/04/1066825504.db2.gz GSFSABJCJYPVJA-VEOKEAFVSA-N 0 0 683.787 4.879 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409063264 1066830182 /nfs/dbraw/zinc/83/01/82/1066830182.db2.gz JQLDCAIUFDXEHU-QARYAGPDSA-N 0 0 577.062 4.767 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409063265 1066830341 /nfs/dbraw/zinc/83/03/41/1066830341.db2.gz JQLDCAIUFDXEHU-ZSJKCPIUSA-N 0 0 577.062 4.767 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409063746 1066829694 /nfs/dbraw/zinc/82/96/94/1066829694.db2.gz MOXASMORYBCJRS-TVRVIFGSSA-N 0 0 713.813 4.969 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409063747 1066829573 /nfs/dbraw/zinc/82/95/73/1066829573.db2.gz MOXASMORYBCJRS-VCLSCOGJSA-N 0 0 713.813 4.969 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409063762 1066829610 /nfs/dbraw/zinc/82/96/10/1066829610.db2.gz MWTKTUKMMJQUBU-HDFSHUSISA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409063763 1066829815 /nfs/dbraw/zinc/82/98/15/1066829815.db2.gz MWTKTUKMMJQUBU-LAUBZIAYSA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409064365 1066829070 /nfs/dbraw/zinc/82/90/70/1066829070.db2.gz PCPOMOPHHPONEE-FUFNRSNVSA-N 0 0 586.670 4.513 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409064371 1066829050 /nfs/dbraw/zinc/82/90/50/1066829050.db2.gz PCPOMOPHHPONEE-PRLWALMFSA-N 0 0 586.670 4.513 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409064510 1066828422 /nfs/dbraw/zinc/82/84/22/1066828422.db2.gz PRSOOJBVQYABSQ-HDFSHUSISA-N 0 0 555.700 4.913 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409064515 1066828625 /nfs/dbraw/zinc/82/86/25/1066828625.db2.gz PRSOOJBVQYABSQ-LAUBZIAYSA-N 0 0 555.700 4.913 40 10 KJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409065139 1066825629 /nfs/dbraw/zinc/82/56/29/1066825629.db2.gz GOCXMYUIAMAMJM-DEDYPNTBSA-N 0 0 574.396 4.874 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409066280 1066826771 /nfs/dbraw/zinc/82/67/71/1066826771.db2.gz HUTZZLFJPZGESI-BFOKUZPWSA-N 0 0 567.711 4.869 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409066283 1066826733 /nfs/dbraw/zinc/82/67/33/1066826733.db2.gz HUTZZLFJPZGESI-CFEDROAVSA-N 0 0 567.711 4.869 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409067079 1066826054 /nfs/dbraw/zinc/82/60/54/1066826054.db2.gz JCTMANOAEPNTEB-PUUMDJTNSA-N 0 0 534.685 4.783 40 10 KJCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409067080 1066316721 /nfs/dbraw/zinc/31/67/21/1066316721.db2.gz JCTMANOAEPNTEB-QFFYTCKUSA-N 0 0 534.685 4.783 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c(OC)c1 ZINC000409068166 1066844869 /nfs/dbraw/zinc/84/48/69/1066844869.db2.gz KJSLDIITRJTVES-ASUJOLEISA-N 0 0 594.737 4.800 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c(OC)c1 ZINC000409068173 1066844626 /nfs/dbraw/zinc/84/46/26/1066844626.db2.gz KJSLDIITRJTVES-OGMUYLFESA-N 0 0 594.737 4.800 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409068223 1066844793 /nfs/dbraw/zinc/84/47/93/1066844793.db2.gz KSIVJERRMIAERF-ZEZCTPEWSA-N 0 0 579.722 4.853 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409068225 1066844600 /nfs/dbraw/zinc/84/46/00/1066844600.db2.gz KSIVJERRMIAERF-ZJOBTTRRSA-N 0 0 579.722 4.853 40 10 KJCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 ZINC000409071010 1066841181 /nfs/dbraw/zinc/84/11/81/1066841181.db2.gz OAVCGEOIGSNGPP-MFCBUNOESA-N 0 0 610.574 4.867 40 10 KJCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 ZINC000409071018 1066841175 /nfs/dbraw/zinc/84/11/75/1066841175.db2.gz OAVCGEOIGSNGPP-SUAMDDGLSA-N 0 0 610.574 4.867 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409071753 1066840107 /nfs/dbraw/zinc/84/01/07/1066840107.db2.gz PJTBXBWIOFRDJI-MKWGYRPRSA-N 0 0 536.097 4.749 40 10 KJCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409071759 1066840114 /nfs/dbraw/zinc/84/01/14/1066840114.db2.gz PJTBXBWIOFRDJI-OCEWKHMESA-N 0 0 536.097 4.749 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409073912 1066838337 /nfs/dbraw/zinc/83/83/37/1066838337.db2.gz UNJZHJHUWGBAEG-HMXFMCBNSA-N 0 0 553.684 4.560 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409073914 1066838490 /nfs/dbraw/zinc/83/84/90/1066838490.db2.gz UNJZHJHUWGBAEG-NLTKXKDSSA-N 0 0 553.684 4.560 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409073940 1066837866 /nfs/dbraw/zinc/83/78/66/1066837866.db2.gz UWBOKTOPFUHUMT-UHFFFAOYSA-N 0 0 592.943 4.651 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409074637 1066317022 /nfs/dbraw/zinc/31/70/22/1066317022.db2.gz WCVBTVJJHSGHJP-IEIVDPGYSA-N 0 0 609.748 4.861 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409074639 1066837258 /nfs/dbraw/zinc/83/72/58/1066837258.db2.gz WCVBTVJJHSGHJP-LHMNITIUSA-N 0 0 609.748 4.861 40 10 KJCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Br)cc1 ZINC000409075106 1066836539 /nfs/dbraw/zinc/83/65/39/1066836539.db2.gz UKZGGZNWVIKQKM-UNOMPAQXSA-N 0 0 504.381 4.863 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409075318 1066836032 /nfs/dbraw/zinc/83/60/32/1066836032.db2.gz YSQMDQYXACEZLS-MAKYVFJGSA-N 0 0 609.748 4.559 40 10 KJCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409075321 1066836627 /nfs/dbraw/zinc/83/66/27/1066836627.db2.gz YSQMDQYXACEZLS-QCLXOHTFSA-N 0 0 609.748 4.559 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076276 1066835056 /nfs/dbraw/zinc/83/50/56/1066835056.db2.gz AKKCZSSQKWCHTN-UPWSPCOFSA-N 0 0 685.597 4.867 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076278 1066835076 /nfs/dbraw/zinc/83/50/76/1066835076.db2.gz AKKCZSSQKWCHTN-ZJTZAHLKSA-N 0 0 685.597 4.867 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2)S1 ZINC000409076613 1066835095 /nfs/dbraw/zinc/83/50/95/1066835095.db2.gz BCNHOGKDNNJMNE-LZYBPNLTSA-N 0 0 510.207 4.897 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409077605 1066848734 /nfs/dbraw/zinc/84/87/34/1066848734.db2.gz GEXDLUKWIBJGRB-UXCHMGEPSA-N 0 0 609.708 4.781 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409077611 1066848752 /nfs/dbraw/zinc/84/87/52/1066848752.db2.gz GEXDLUKWIBJGRB-ZJZHBOIVSA-N 0 0 609.708 4.781 40 10 KJCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 ZINC000409077935 1066848239 /nfs/dbraw/zinc/84/82/39/1066848239.db2.gz GLFUDTJBIMOEIS-ABBNRAPFSA-N 0 0 603.542 4.711 40 10 KJCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 ZINC000409077936 1066848730 /nfs/dbraw/zinc/84/87/30/1066848730.db2.gz GLFUDTJBIMOEIS-CSJROMOCSA-N 0 0 603.542 4.711 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409078939 1066847044 /nfs/dbraw/zinc/84/70/44/1066847044.db2.gz FADZFHIWNABNOY-CRCYZHLCSA-N 0 0 651.539 4.885 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409078941 1066320275 /nfs/dbraw/zinc/32/02/75/1066320275.db2.gz FADZFHIWNABNOY-FQKMCRJQSA-N 0 0 651.539 4.885 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081818 1066854910 /nfs/dbraw/zinc/85/49/10/1066854910.db2.gz OLKWEAASLHLRPY-QPJBPQEWSA-N 0 0 606.542 4.977 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081827 1066854953 /nfs/dbraw/zinc/85/49/53/1066854953.db2.gz OLKWEAASLHLRPY-QTTRZTASSA-N 0 0 606.542 4.977 40 10 KJCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000409082205 1066854896 /nfs/dbraw/zinc/85/48/96/1066854896.db2.gz RPZRZICWHTVIAO-RAWKODRKSA-N 0 0 582.726 4.737 40 10 KJCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000409082206 1066854927 /nfs/dbraw/zinc/85/49/27/1066854927.db2.gz RPZRZICWHTVIAO-XGLKJEJJSA-N 0 0 582.726 4.737 40 10 KJCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409082298 1066854213 /nfs/dbraw/zinc/85/42/13/1066854213.db2.gz IVXYSZDVYGQQCY-PUUMDJTNSA-N 0 0 552.700 4.729 40 10 KJCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409082302 1066854245 /nfs/dbraw/zinc/85/42/45/1066854245.db2.gz IVXYSZDVYGQQCY-QFFYTCKUSA-N 0 0 552.700 4.729 40 10 KJCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082915 1066319642 /nfs/dbraw/zinc/31/96/42/1066319642.db2.gz UDCGKTNTWYEMKW-UHFFFAOYSA-N 0 0 595.147 4.845 40 10 KJCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409083273 1066853768 /nfs/dbraw/zinc/85/37/68/1066853768.db2.gz UZVCKXYQGQDNTN-UHFFFAOYSA-N 0 0 506.245 4.627 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409083457 1066319897 /nfs/dbraw/zinc/31/98/97/1066319897.db2.gz AOOVUSPXZPTLPB-WSDLNYQXSA-N 0 0 554.388 4.539 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000409083543 1066852988 /nfs/dbraw/zinc/85/29/88/1066852988.db2.gz KZODROXRKXRPBO-VIZOYTHASA-N 0 0 505.788 4.521 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084102 1066320348 /nfs/dbraw/zinc/32/03/48/1066320348.db2.gz PEPPJLYPDOOJEN-RLGZEVEKSA-N 0 0 679.431 4.797 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084104 1066852306 /nfs/dbraw/zinc/85/23/06/1066852306.db2.gz PEPPJLYPDOOJEN-WLPTYJMBSA-N 0 0 679.431 4.797 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000409084676 1066851820 /nfs/dbraw/zinc/85/18/20/1066851820.db2.gz QABFHRNXXGBIBR-FRKPEAEDSA-N 0 0 555.204 4.805 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409085618 1066851145 /nfs/dbraw/zinc/85/11/45/1066851145.db2.gz CEABYYFEXTUBOC-HPFVHPJRSA-N 0 0 549.140 4.666 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409085620 1066851153 /nfs/dbraw/zinc/85/11/53/1066851153.db2.gz CEABYYFEXTUBOC-WHNPURCTSA-N 0 0 549.140 4.666 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000409085752 1066851116 /nfs/dbraw/zinc/85/11/16/1066851116.db2.gz DBUMJZRMCKOXCO-VIZOYTHASA-N 0 0 594.690 4.739 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086022 1066851189 /nfs/dbraw/zinc/85/11/89/1066851189.db2.gz PSTLEXLCKBSRSS-CCVBWGSMSA-N 0 0 644.588 4.520 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086027 1066851070 /nfs/dbraw/zinc/85/10/70/1066851070.db2.gz PSTLEXLCKBSRSS-ZWTBYVTRSA-N 0 0 644.588 4.520 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409086214 1066850647 /nfs/dbraw/zinc/85/06/47/1066850647.db2.gz GMIMIUGAAOCBHT-HVDVVURSSA-N 0 0 626.779 4.615 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409086217 1066850599 /nfs/dbraw/zinc/85/05/99/1066850599.db2.gz GMIMIUGAAOCBHT-WOSHRIRTSA-N 0 0 626.779 4.615 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)S1 ZINC000409086473 1066850728 /nfs/dbraw/zinc/85/07/28/1066850728.db2.gz ZSBCYCQFIBCSIF-OVCLIPMQSA-N 0 0 505.788 4.521 40 10 KJCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000409086583 1066850095 /nfs/dbraw/zinc/85/00/95/1066850095.db2.gz FLARZLXWTZMNNO-UHFFFAOYSA-N 0 0 592.943 4.651 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086912 1066850163 /nfs/dbraw/zinc/85/01/63/1066850163.db2.gz XJYKBWOXZUQTAJ-CRCYZHLCSA-N 0 0 628.589 4.814 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086916 1066850110 /nfs/dbraw/zinc/85/01/10/1066850110.db2.gz XJYKBWOXZUQTAJ-FQKMCRJQSA-N 0 0 628.589 4.814 40 10 KJCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088137 1066203891 /nfs/dbraw/zinc/20/38/91/1066203891.db2.gz DOYZERNFWPWXFQ-UHFFFAOYSA-N 0 0 506.245 4.627 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409088395 1066869372 /nfs/dbraw/zinc/86/93/72/1066869372.db2.gz JDBZXAMXXKOWPA-JLHDDXNDSA-N 0 0 584.742 4.528 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409088396 1066869336 /nfs/dbraw/zinc/86/93/36/1066869336.db2.gz JDBZXAMXXKOWPA-PYCBVSLESA-N 0 0 584.742 4.528 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409089034 1066868713 /nfs/dbraw/zinc/86/87/13/1066868713.db2.gz MPGVSRHNIHIRHV-WGOQTCKBSA-N 0 0 607.685 4.730 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409089068 1066868698 /nfs/dbraw/zinc/86/86/98/1066868698.db2.gz MVEYSXJNBHIZLK-NLZIUFDSSA-N 0 0 587.971 4.586 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409089070 1066868628 /nfs/dbraw/zinc/86/86/28/1066868628.db2.gz MVEYSXJNBHIZLK-WLGHQHAYSA-N 0 0 587.971 4.586 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409089922 1066321467 /nfs/dbraw/zinc/32/14/67/1066321467.db2.gz PEECQKOYGUWLIB-RAWKODRKSA-N 0 0 568.743 4.828 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409089924 1066321661 /nfs/dbraw/zinc/32/16/61/1066321661.db2.gz PEECQKOYGUWLIB-XGLKJEJJSA-N 0 0 568.743 4.828 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)S1 ZINC000409090119 1066866949 /nfs/dbraw/zinc/86/69/49/1066866949.db2.gz LCQYESNBGHCUTM-CXUHLZMHSA-N 0 0 510.207 4.897 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1 ZINC000409090254 1066867007 /nfs/dbraw/zinc/86/70/07/1066867007.db2.gz LRPSNSFLIJFEJJ-LZYBPNLTSA-N 0 0 555.204 4.805 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090441 1066866460 /nfs/dbraw/zinc/86/64/60/1066866460.db2.gz NGTONYJSWUXSSI-GKTKDVHMSA-N 0 0 658.615 4.823 40 10 KJCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090446 1066866413 /nfs/dbraw/zinc/86/64/13/1066866413.db2.gz NGTONYJSWUXSSI-WQNUKSJVSA-N 0 0 658.615 4.823 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409090872 1066866428 /nfs/dbraw/zinc/86/64/28/1066866428.db2.gz QYLCOHUZMFVLBH-XKZIYDEJSA-N 0 0 554.388 4.539 40 10 KJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)S1 ZINC000409091418 1066321626 /nfs/dbraw/zinc/32/16/26/1066321626.db2.gz QKYWNUMNTRDEIL-OVCLIPMQSA-N 0 0 594.690 4.739 40 10 KJCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409092052 1066864031 /nfs/dbraw/zinc/86/40/31/1066864031.db2.gz SNORJOQLORYRNV-UHFFFAOYSA-N 0 0 640.240 4.542 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3cc(OC)ccc3OC)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409094248 1066861212 /nfs/dbraw/zinc/86/12/12/1066861212.db2.gz CRSOBRSIKBETPL-GSTVVXAASA-N 0 0 656.805 4.705 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3cc(OC)ccc3OC)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409094249 1066861110 /nfs/dbraw/zinc/86/11/10/1066861110.db2.gz CRSOBRSIKBETPL-SAGCDJCOSA-N 0 0 656.805 4.705 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409094333 1066861679 /nfs/dbraw/zinc/86/16/79/1066861679.db2.gz DKQPSDLUZPZLJT-WSDLNYQXSA-N 0 0 507.388 4.696 40 10 KJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409094378 1066861184 /nfs/dbraw/zinc/86/11/84/1066861184.db2.gz DXLBUFFUWUBJRB-MTJSOVHGSA-N 0 0 501.992 4.632 40 10 KJCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1OCC(=O)N1CCOCC1 ZINC000409094818 1066860659 /nfs/dbraw/zinc/86/06/59/1066860659.db2.gz GJHSOQLTTDHKPC-KOEQRZSOSA-N 0 0 607.685 4.730 40 10 KJCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 ZINC000409095066 1066321108 /nfs/dbraw/zinc/32/11/08/1066321108.db2.gz BDOBRECRCHDUPX-BUVRLJJBSA-N 0 0 533.606 4.954 40 10 KJCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O)N1CCOCC1 ZINC000409095136 1066860071 /nfs/dbraw/zinc/86/00/71/1066860071.db2.gz BNEDRGXOWHLDCD-KOEQRZSOSA-N 0 0 577.659 4.721 40 10 KJCBRN Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)ccc21 ZINC000409096535 1066857231 /nfs/dbraw/zinc/85/72/31/1066857231.db2.gz FVUSFJODDGRKKP-LPYMAVHISA-N 0 0 518.595 4.674 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409097132 1066322077 /nfs/dbraw/zinc/32/20/77/1066322077.db2.gz LOLSHLIMFGTUJZ-FYJGNVAPSA-N 0 0 507.388 4.696 40 10 KJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000409098188 1066877625 /nfs/dbraw/zinc/87/76/25/1066877625.db2.gz OEKZTPTVSJUUGU-NHDPSOOVSA-N 0 0 501.992 4.632 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409098191 1066877649 /nfs/dbraw/zinc/87/76/49/1066877649.db2.gz OFWQLGYCSYANMF-INZJWMLVSA-N 0 0 537.129 4.603 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409098192 1066877596 /nfs/dbraw/zinc/87/75/96/1066877596.db2.gz OFWQLGYCSYANMF-NQCZSQBNSA-N 0 0 537.129 4.603 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409098462 1066877491 /nfs/dbraw/zinc/87/74/91/1066877491.db2.gz PZDUWQIFFGJGFM-HPFVHPJRSA-N 0 0 594.137 4.656 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409098466 1066877122 /nfs/dbraw/zinc/87/71/22/1066877122.db2.gz PZDUWQIFFGJGFM-WHNPURCTSA-N 0 0 594.137 4.656 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409098895 1066877001 /nfs/dbraw/zinc/87/70/01/1066877001.db2.gz RFTSKYDYXMLEPS-FVUNBJOLSA-N 0 0 656.805 4.623 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409098898 1066877022 /nfs/dbraw/zinc/87/70/22/1066877022.db2.gz RFTSKYDYXMLEPS-KFOJKGMOSA-N 0 0 656.805 4.623 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409099046 1066876392 /nfs/dbraw/zinc/87/63/92/1066876392.db2.gz PSHNTAGSRHRQBL-NNAGEYCMSA-N 0 0 572.706 4.659 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409099047 1066322634 /nfs/dbraw/zinc/32/26/34/1066322634.db2.gz PSHNTAGSRHRQBL-PQRKSKNISA-N 0 0 572.706 4.659 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409099815 1066874681 /nfs/dbraw/zinc/87/46/81/1066874681.db2.gz LUHBEJTXIRRENL-DEDRDRDXSA-N 0 0 597.785 4.586 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409099818 1066874754 /nfs/dbraw/zinc/87/47/54/1066874754.db2.gz LUHBEJTXIRRENL-ITNAUSPISA-N 0 0 597.785 4.586 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409101070 1066872789 /nfs/dbraw/zinc/87/27/89/1066872789.db2.gz PHDDBTDEPGWQLY-DDIUQFJASA-N 0 0 598.769 4.837 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409101071 1066323218 /nfs/dbraw/zinc/32/32/18/1066323218.db2.gz PHDDBTDEPGWQLY-IMUCPKNRSA-N 0 0 598.769 4.837 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409101864 1066871008 /nfs/dbraw/zinc/87/10/08/1066871008.db2.gz BUAPFIWKHNNGSO-XKZIYDEJSA-N 0 0 507.388 4.696 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3OC)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409102012 1066871130 /nfs/dbraw/zinc/87/11/30/1066871130.db2.gz ULXAVKLNLCBXRM-CXABMRDKSA-N 0 0 626.779 4.696 40 10 KJCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3OC)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409102016 1066871140 /nfs/dbraw/zinc/87/11/40/1066871140.db2.gz ULXAVKLNLCBXRM-GJKZIJEQSA-N 0 0 626.779 4.696 40 10 KJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000409102208 1066870411 /nfs/dbraw/zinc/87/04/11/1066870411.db2.gz VGZQYUSAZPWOER-MTJSOVHGSA-N 0 0 546.443 4.742 40 10 KJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409102313 1066887234 /nfs/dbraw/zinc/88/72/34/1066887234.db2.gz RTQJJMSMPPDVRO-GIJQJNRQSA-N 0 0 524.380 4.687 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409102443 1066323199 /nfs/dbraw/zinc/32/31/99/1066323199.db2.gz SXCYPCBJTBGEDR-ABBNRAPFSA-N 0 0 567.155 4.612 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409102444 1066886814 /nfs/dbraw/zinc/88/68/14/1066886814.db2.gz SXCYPCBJTBGEDR-CSJROMOCSA-N 0 0 567.155 4.612 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409102667 1066886680 /nfs/dbraw/zinc/88/66/80/1066886680.db2.gz VTVPMWQPPJRNLP-MRWVFDTMSA-N 0 0 598.769 4.837 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409102668 1066886737 /nfs/dbraw/zinc/88/67/37/1066886737.db2.gz VTVPMWQPPJRNLP-NBQDTTAVSA-N 0 0 598.769 4.837 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102689 1066886690 /nfs/dbraw/zinc/88/66/90/1066886690.db2.gz SYQZMXHDKIDXST-HXQACLMCSA-N 0 0 580.754 4.866 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102690 1066886704 /nfs/dbraw/zinc/88/67/04/1066886704.db2.gz SYQZMXHDKIDXST-UOFRAYPZSA-N 0 0 580.754 4.866 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409102928 1066323030 /nfs/dbraw/zinc/32/30/30/1066323030.db2.gz BVERYUHONTVJKF-DDBFQISPSA-N 0 0 568.743 4.828 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409102932 1066886315 /nfs/dbraw/zinc/88/63/15/1066886315.db2.gz BVERYUHONTVJKF-WWWKDLBZSA-N 0 0 568.743 4.828 40 10 KJCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C2=O)cc1 ZINC000409104189 1066884066 /nfs/dbraw/zinc/88/40/66/1066884066.db2.gz GHRCYELKXNAOPJ-BUVRLJJBSA-N 0 0 533.606 4.954 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104205 1066884192 /nfs/dbraw/zinc/88/41/92/1066884192.db2.gz GOBWMCBGVRBBBT-SVXDAGRPSA-N 0 0 598.769 4.817 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104207 1066884037 /nfs/dbraw/zinc/88/40/37/1066884037.db2.gz GOBWMCBGVRBBBT-URFJJRPFSA-N 0 0 598.769 4.817 40 10 KJCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000409105964 1066881501 /nfs/dbraw/zinc/88/15/01/1066881501.db2.gz PULMSOLXEPLTIH-XDHOZWIPSA-N 0 0 504.406 4.589 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409106024 1066881560 /nfs/dbraw/zinc/88/15/60/1066881560.db2.gz KLOUPDICDPZUCN-ACJNQYEBSA-N 0 0 554.716 4.520 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409106033 1066881632 /nfs/dbraw/zinc/88/16/32/1066881632.db2.gz KLOUPDICDPZUCN-HSUOJCLFSA-N 0 0 554.716 4.520 40 10 KJCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106272 1066323775 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/nfs/dbraw/zinc/92/66/24/1066926624.db2.gz JPGUXNFPQZDZEY-FXBPXSCXSA-N 0 0 523.474 4.612 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409149669 1066926262 /nfs/dbraw/zinc/92/62/62/1066926262.db2.gz MUAUCNUXQDZFLW-CFRMEGHHSA-N 0 0 584.741 4.912 40 10 KJCBRN CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S ZINC000409149733 1066926366 /nfs/dbraw/zinc/92/63/66/1066926366.db2.gz OWNULGHPWMZLKE-BOPFTXTBSA-N 0 0 532.847 4.783 40 10 KJCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149825 1066328787 /nfs/dbraw/zinc/32/87/87/1066328787.db2.gz RSTHCAZEMUSUKG-RQZCQDPDSA-N 0 0 555.859 4.509 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1O ZINC000409150020 1066925894 /nfs/dbraw/zinc/92/58/94/1066925894.db2.gz YJEMWEXQGYIQGR-CXUHLZMHSA-N 0 0 574.849 4.904 40 10 KJCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)ccc1Cl ZINC000409150473 1066925934 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/nfs/dbraw/zinc/93/12/79/1066931279.db2.gz VSPNHEPTDCXMLQ-UKWGHVSLSA-N 0 0 609.564 4.848 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409162705 1066931329 /nfs/dbraw/zinc/93/13/29/1066931329.db2.gz YSHILMFXACZUFA-UXHLAJHPSA-N 0 0 688.763 4.970 40 10 KJCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1Cl ZINC000409163503 1066930515 /nfs/dbraw/zinc/93/05/15/1066930515.db2.gz SMGLCSMTHDDYAF-UDWIEESQSA-N 0 0 501.992 4.648 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1 ZINC000409164411 1066331950 /nfs/dbraw/zinc/33/19/50/1066331950.db2.gz ICMUYMRRJCCLRB-UDWIEESQSA-N 0 0 501.992 4.648 40 10 KJCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)ccc1Cl ZINC000409168719 1066944218 /nfs/dbraw/zinc/94/42/18/1066944218.db2.gz NEPLFPXDGPKHKG-FYJGNVAPSA-N 0 0 514.003 4.792 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409171216 1066941894 /nfs/dbraw/zinc/94/18/94/1066941894.db2.gz YTIPHFQKBLPETA-KKMKTNMSSA-N 0 0 647.666 4.862 40 10 KJCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000409173939 1066939868 /nfs/dbraw/zinc/93/98/68/1066939868.db2.gz PUJPOJRTFAZPRV-JCMHNJIXSA-N 0 0 503.605 4.559 40 10 KJCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409174273 1066939384 /nfs/dbraw/zinc/93/93/84/1066939384.db2.gz UURLMRQOFHHRPE-UCQKPKSFSA-N 0 0 603.053 4.717 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409175197 1066938599 /nfs/dbraw/zinc/93/85/99/1066938599.db2.gz XGTVNOPWUGLYKL-HAHDFKILSA-N 0 0 533.631 4.567 40 10 KJCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000409175212 1066333853 /nfs/dbraw/zinc/33/38/53/1066333853.db2.gz XTJQVPOKFSFWNY-ATVHPVEESA-N 0 0 554.431 4.635 40 10 KJCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl ZINC000409175809 1066937822 /nfs/dbraw/zinc/93/78/22/1066937822.db2.gz VDSAGJZWFQBMFN-HZHRSRAPSA-N 0 0 558.056 4.809 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409176781 1066937000 /nfs/dbraw/zinc/93/70/00/1066937000.db2.gz XOALKMBWCCGLLE-CIAFOILYSA-N 0 0 552.546 4.850 40 10 KJCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409176881 1066937382 /nfs/dbraw/zinc/93/73/82/1066937382.db2.gz ZWNAZKGCQDHTDB-MSXFZWOLSA-N 0 0 556.625 4.555 40 10 KJCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S)c1ccccc1 ZINC000409177276 1066206180 /nfs/dbraw/zinc/20/61/80/1066206180.db2.gz GOMONXWVMIGLTI-UDWIEESQSA-N 0 0 522.520 4.842 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409178459 1066949003 /nfs/dbraw/zinc/94/90/03/1066949003.db2.gz JUXCYPUYBBAIDR-HYARGMPZSA-N 0 0 521.576 4.729 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409178591 1066948535 /nfs/dbraw/zinc/94/85/35/1066948535.db2.gz MDDSKZUAFKFSAM-LFVJCYFKSA-N 0 0 547.658 4.957 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409178833 1066948650 /nfs/dbraw/zinc/94/86/50/1066948650.db2.gz PEGBESAEHGQFOH-JLPGSUDCSA-N 0 0 547.658 4.957 40 10 KJCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S)c1ccccc1 ZINC000409179103 1066948519 /nfs/dbraw/zinc/94/85/19/1066948519.db2.gz KASORRZPKHGFPR-UDWIEESQSA-N 0 0 522.520 4.842 40 10 KJCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000409179388 1066948155 /nfs/dbraw/zinc/94/81/55/1066948155.db2.gz MEMYMUQOXOHNEN-LFVJCYFKSA-N 0 0 563.657 4.658 40 10 KJCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409179691 1066948128 /nfs/dbraw/zinc/94/81/28/1066948128.db2.gz NHBFIIAXAAUEEQ-UDWIEESQSA-N 0 0 552.546 4.850 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409180081 1066947678 /nfs/dbraw/zinc/94/76/78/1066947678.db2.gz WHHJBAXXVBDYKV-JLPGSUDCSA-N 0 0 547.658 4.957 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409183296 1066335076 /nfs/dbraw/zinc/33/50/76/1066335076.db2.gz BEPHUTIOTKCAGI-NDENLUEZSA-N 0 0 572.376 4.858 40 10 KJCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)c1 ZINC000409183477 1066946300 /nfs/dbraw/zinc/94/63/00/1066946300.db2.gz SUEGXIDKTMQZJZ-PXLXIMEGSA-N 0 0 503.605 4.559 40 10 KJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409184176 1066334994 /nfs/dbraw/zinc/33/49/94/1066334994.db2.gz JIHRILGMLSFZRO-CVKSISIWSA-N 0 0 541.604 4.645 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CNC(=O)C(=O)Nc4cc(Cl)cc(Cl)c4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409184807 1066945560 /nfs/dbraw/zinc/94/55/60/1066945560.db2.gz HXDSQBCQSMXDGU-ZVHZXABRSA-N 0 0 626.449 4.895 40 10 KJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000409185815 1066335091 /nfs/dbraw/zinc/33/50/91/1066335091.db2.gz QNXIIVKHWPOEQO-HMAPJEAMSA-N 0 0 546.523 4.654 40 10 KJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409185913 1066945570 /nfs/dbraw/zinc/94/55/70/1066945570.db2.gz SLGABMKUECKACF-BUVRLJJBSA-N 0 0 629.485 4.575 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409185988 1066945479 /nfs/dbraw/zinc/94/54/79/1066945479.db2.gz UKOCNRASVFACIX-HAHDFKILSA-N 0 0 612.466 4.765 40 10 KJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000409186082 1066945416 /nfs/dbraw/zinc/94/54/16/1066945416.db2.gz WIJDHFALVXYHAR-LPYMAVHISA-N 0 0 547.416 4.942 40 10 KJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409186187 1066945591 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KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409202332 1066960880 /nfs/dbraw/zinc/96/08/80/1066960880.db2.gz RSSPYUPQWMCVFH-KEBDBYFISA-N 0 0 529.341 4.666 40 10 KJCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409202407 1066961161 /nfs/dbraw/zinc/96/11/61/1066961161.db2.gz QJCMXTURLIDHBG-ZVHZXABRSA-N 0 0 500.505 4.808 40 10 KJCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409203903 1066337406 /nfs/dbraw/zinc/33/74/06/1066337406.db2.gz ZSHVFGAESBVIJN-ZVHZXABRSA-N 0 0 527.512 4.577 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409203986 1066960445 /nfs/dbraw/zinc/96/04/45/1066960445.db2.gz ATVRQFQPJDZZHV-MFKUBSTISA-N 0 0 543.580 4.551 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409204230 1066960075 /nfs/dbraw/zinc/96/00/75/1066960075.db2.gz CWUDWJPYPKJCOV-CCVNUDIWSA-N 0 0 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CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409207743 1066964242 /nfs/dbraw/zinc/96/42/42/1066964242.db2.gz YWPLMWUWGXEDSP-FYJGNVAPSA-N 0 0 552.596 4.748 40 10 KJCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)c2C)cc1 ZINC000409207750 1066964223 /nfs/dbraw/zinc/96/42/23/1066964223.db2.gz ZDTDYAFAMNVPAN-CFRMEGHHSA-N 0 0 519.579 4.549 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409207751 1066964352 /nfs/dbraw/zinc/96/43/52/1066964352.db2.gz ZDUJNHVKQLOCRQ-UCQKPKSFSA-N 0 0 507.637 4.977 40 10 KJCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 ZINC000409212696 1066965787 /nfs/dbraw/zinc/96/57/87/1066965787.db2.gz PNNMVBIEYBUFMM-PCLIKHOPSA-N 0 0 503.578 4.611 40 10 KJCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409213026 1066965748 /nfs/dbraw/zinc/96/57/48/1066965748.db2.gz TYPBWTFKKAYBKZ-MTJSOVHGSA-N 0 0 511.351 4.527 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409213750 1066965390 /nfs/dbraw/zinc/96/53/90/1066965390.db2.gz SYIAAHLFZYGSFK-WSDLNYQXSA-N 0 0 525.378 4.836 40 10 KJCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409213861 1066965517 /nfs/dbraw/zinc/96/55/17/1066965517.db2.gz UDKZKUAYYWKYIG-SRZZPIQSSA-N 0 0 511.351 4.527 40 10 KJCBRN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409219753 1066337913 /nfs/dbraw/zinc/33/79/13/1066337913.db2.gz PXFWEPUOZGARDL-DEDYPNTBSA-N 0 0 510.333 4.677 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409220537 1066970822 /nfs/dbraw/zinc/97/08/22/1066970822.db2.gz BFLYXESTFNURAM-STZFKDTASA-N 0 0 577.522 4.800 40 10 KJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409220738 1066970636 /nfs/dbraw/zinc/97/06/36/1066970636.db2.gz FDHXSSDIUKKSKU-MFOYZWKCSA-N 0 0 568.458 4.731 40 10 KJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1 ZINC000409221275 1066970711 /nfs/dbraw/zinc/97/07/11/1066970711.db2.gz NVAYPBFUOFWOPG-OEAKJJBVSA-N 0 0 519.579 4.564 40 10 KJCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409223376 1066968872 /nfs/dbraw/zinc/96/88/72/1066968872.db2.gz FOOOJAQTYNUFDF-XDHOZWIPSA-N 0 0 513.381 4.941 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1C ZINC000409223446 1066968916 /nfs/dbraw/zinc/96/89/16/1066968916.db2.gz FVLVFUXTSNHUDE-OEAKJJBVSA-N 0 0 519.579 4.564 40 10 KJCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409223818 1066339071 /nfs/dbraw/zinc/33/90/71/1066339071.db2.gz IKUYDRNQYZJSFM-UDWIEESQSA-N 0 0 524.360 4.986 40 10 KJCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409224352 1066339509 /nfs/dbraw/zinc/33/95/09/1066339509.db2.gz JDBPKFZWUBUPBR-CIAFOILYSA-N 0 0 524.360 4.986 40 10 KJCBRN 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CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)SC1=S ZINC000409228510 1066973267 /nfs/dbraw/zinc/97/32/67/1066973267.db2.gz AXUBUPNDMRKMGZ-WQRHYEAKSA-N 0 0 584.457 4.547 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409228762 1066973379 /nfs/dbraw/zinc/97/33/79/1066973379.db2.gz DSBWEAVUNZACSO-MOSHPQCFSA-N 0 0 581.485 4.630 40 10 KJCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C ZINC000409228816 1066973220 /nfs/dbraw/zinc/97/32/20/1066973220.db2.gz FOUKWHTXDCFGCP-LSHDLFTRSA-N 0 0 524.530 4.825 40 10 KJCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 ZINC000409228895 1066972936 /nfs/dbraw/zinc/97/29/36/1066972936.db2.gz GTGMVDAHSCJVTH-FOKLQQMPSA-N 0 0 505.552 4.506 40 10 KJCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 ZINC000409229585 1066339147 /nfs/dbraw/zinc/33/91/47/1066339147.db2.gz RMJMCCVKRNTWHH-BUVRLJJBSA-N 0 0 504.612 4.844 40 10 KJCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000409229632 1066972874 /nfs/dbraw/zinc/97/28/74/1066972874.db2.gz SCLCQIWJXSJCMW-RGVLZGJSSA-N 0 0 513.381 4.941 40 10 KJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229862 1066972485 /nfs/dbraw/zinc/97/24/85/1066972485.db2.gz VOFBWUNQTSXFPD-APSNUPSMSA-N 0 0 574.849 4.768 40 10 KJCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000409229891 1066972530 /nfs/dbraw/zinc/97/25/30/1066972530.db2.gz VVSGYXNBQVFMPO-YDZHTSKRSA-N 0 0 521.415 4.950 40 10 KJCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1 ZINC000409230739 1066977774 /nfs/dbraw/zinc/97/77/74/1066977774.db2.gz FXWJRTOIXLAAFB-FSJBWODESA-N 0 0 536.566 4.695 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409230776 1066977763 /nfs/dbraw/zinc/97/77/63/1066977763.db2.gz GJTWIXBAUOTLOP-BRLDDBHUSA-N 0 0 563.495 4.855 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409230777 1066977692 /nfs/dbraw/zinc/97/76/92/1066977692.db2.gz GJTWIXBAUOTLOP-SYERDGIWSA-N 0 0 563.495 4.855 40 10 KJCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409231081 1066977667 /nfs/dbraw/zinc/97/76/67/1066977667.db2.gz IDQALEHBPIGVNX-PDGQHHTCSA-N 0 0 568.458 4.929 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409232127 1066977292 /nfs/dbraw/zinc/97/72/92/1066977292.db2.gz HAOSZAVSXRASOP-STZFKDTASA-N 0 0 577.522 4.800 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409232276 1066977239 /nfs/dbraw/zinc/97/72/39/1066977239.db2.gz NPYPQMMHDPHHQA-UMUMUWHJSA-N 0 0 563.495 4.855 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409232277 1066340341 /nfs/dbraw/zinc/34/03/41/1066340341.db2.gz NPYPQMMHDPHHQA-UZQMFHLOSA-N 0 0 563.495 4.855 40 10 KJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C ZINC000409232623 195510300 /nfs/dbraw/zinc/51/03/00/195510300.db2.gz RUVHDMPTLIWGBJ-WSDLNYQXSA-N 0 0 507.543 4.695 40 10 KJCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1 ZINC000409232694 1066976933 /nfs/dbraw/zinc/97/69/33/1066976933.db2.gz OVXFUTFMUKVGIZ-KOEQRZSOSA-N 0 0 500.599 4.977 40 10 KJCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2OC)cc1 ZINC000409232734 1066977039 /nfs/dbraw/zinc/97/70/39/1066977039.db2.gz PDVLTJYKGBBMNC-MXAYSNPKSA-N 0 0 564.641 4.851 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409233204 1066340321 /nfs/dbraw/zinc/34/03/21/1066340321.db2.gz RXEREUXDWMYTBB-SXGWCWSVSA-N 0 0 574.849 4.802 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409233563 1066976502 /nfs/dbraw/zinc/97/65/02/1066976502.db2.gz LBIYFZYOQPMUCQ-ZDLGFXPLSA-N 0 0 568.458 4.813 40 10 KJCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000409233612 1066340263 /nfs/dbraw/zinc/34/02/63/1066340263.db2.gz GULKTYHKJKCEHL-LPYMAVHISA-N 0 0 506.990 4.850 40 10 KJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br ZINC000409233960 1066976249 /nfs/dbraw/zinc/97/62/49/1066976249.db2.gz UYPOAXVEVIFDAL-DEDYPNTBSA-N 0 0 518.433 4.979 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1c(C)cccc1C ZINC000409234023 1066976146 /nfs/dbraw/zinc/97/61/46/1066976146.db2.gz XUSAQSASCMYZJP-YVLHZVERSA-N 0 0 568.458 4.765 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409234042 1066976337 /nfs/dbraw/zinc/97/63/37/1066976337.db2.gz YCCFEFDMPDZPBK-WQRHYEAKSA-N 0 0 568.458 4.847 40 10 KJCBRN CCc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000409234544 1066975855 /nfs/dbraw/zinc/97/58/55/1066975855.db2.gz NQBCRCBMFFNIPN-WQRHYEAKSA-N 0 0 568.458 4.711 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409234915 1066340494 /nfs/dbraw/zinc/34/04/94/1066340494.db2.gz AQIFROHYAZGMGQ-ZDLGFXPLSA-N 0 0 568.458 4.765 40 10 KJCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O ZINC000409234985 1066975903 /nfs/dbraw/zinc/97/59/03/1066975903.db2.gz AEHTWLAKTXIUSX-RGVLZGJSSA-N 0 0 541.377 4.536 40 10 KJCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409235075 1066975948 /nfs/dbraw/zinc/97/59/48/1066975948.db2.gz YMQBPCMZFAJUTQ-LPYMAVHISA-N 0 0 537.414 4.705 40 10 KJCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2OC)c1 ZINC000409235338 1066975551 /nfs/dbraw/zinc/97/55/51/1066975551.db2.gz ZSIWEHGPFSKEIW-ROTLSHHCSA-N 0 0 564.641 4.851 40 10 KJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409235872 1066974891 /nfs/dbraw/zinc/97/48/91/1066974891.db2.gz CXKJNNPDGVDTMU-CIAFOILYSA-N 0 0 501.992 4.632 40 10 KJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409236030 1066974978 /nfs/dbraw/zinc/97/49/78/1066974978.db2.gz RFRMDLDHUVZKPR-PXNMLYILSA-N 0 0 574.849 4.768 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409236367 1066339826 /nfs/dbraw/zinc/33/98/26/1066339826.db2.gz FITDTZPQNBXGRC-WQRHYEAKSA-N 0 0 568.458 4.759 40 10 KJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409236829 1066974535 /nfs/dbraw/zinc/97/45/35/1066974535.db2.gz HILSTYZAESPKIC-UNOMPAQXSA-N 0 0 511.401 4.927 40 10 KJCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409237009 1066974589 /nfs/dbraw/zinc/97/45/89/1066974589.db2.gz UMNQSFMADKCKSG-PXNMLYILSA-N 0 0 574.849 4.850 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409237468 1066984240 /nfs/dbraw/zinc/98/42/40/1066984240.db2.gz USCHHYXBUJMTLZ-PXNMLYILSA-N 0 0 574.849 4.802 40 10 KJCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409237614 1066984303 /nfs/dbraw/zinc/98/43/03/1066984303.db2.gz 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/nfs/dbraw/zinc/06/28/96/1067062896.db2.gz UYELQLDBEQUKCR-XYGWBWBKSA-N 0 0 577.684 4.966 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1 ZINC000409340346 1067062649 /nfs/dbraw/zinc/06/26/49/1067062649.db2.gz VPFWKKRYJWWNEY-HAHDFKILSA-N 0 0 533.631 4.567 40 10 KJCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409340391 1067062400 /nfs/dbraw/zinc/06/24/00/1067062400.db2.gz WIIPBAVHOOSGFE-WOJGMQOQSA-N 0 0 522.442 4.801 40 10 KJCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000409340490 1067062776 /nfs/dbraw/zinc/06/27/76/1067062776.db2.gz XZORFNDZXCARHN-LDADJPATSA-N 0 0 507.431 4.793 40 10 KJCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409340498 1067062744 /nfs/dbraw/zinc/06/27/44/1067062744.db2.gz YELXVGKBYMGCRY-YVNNLAQVSA-N 0 0 556.599 4.805 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000409341210 1067061882 /nfs/dbraw/zinc/06/18/82/1067061882.db2.gz AEMJHQKOBORIBC-UCQKPKSFSA-N 0 0 524.595 4.968 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409341373 1067061605 /nfs/dbraw/zinc/06/16/05/1067061605.db2.gz BGWMQTSPZDFQNS-UNOMPAQXSA-N 0 0 542.982 4.990 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409341416 1067061636 /nfs/dbraw/zinc/06/16/36/1067061636.db2.gz BOCBYDMRTCJFGU-UUYOSTAYSA-N 0 0 599.046 4.821 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409341448 1066358828 /nfs/dbraw/zinc/35/88/28/1066358828.db2.gz AWFWRHOWBQOJFR-CIAFOILYSA-N 0 0 552.546 4.850 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409342044 1067061149 /nfs/dbraw/zinc/06/11/49/1067061149.db2.gz DLYQBUNKQIJMRY-KQWNVCNZSA-N 0 0 526.661 4.935 40 10 KJCBRN O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409342075 1067060980 /nfs/dbraw/zinc/06/09/80/1067060980.db2.gz BSRULBRZGJVILJ-PDGQHHTCSA-N 0 0 506.403 4.600 40 10 KJCBRN COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1I ZINC000409342089 1067060821 /nfs/dbraw/zinc/06/08/21/1067060821.db2.gz BKXGBFLWQSBDTK-LSCVHKIXSA-N 0 0 554.475 4.749 40 10 KJCBRN O=C(COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1)N1CCOCC1 ZINC000409342126 1067060921 /nfs/dbraw/zinc/06/09/21/1067060921.db2.gz CCSHPJVNLAWGGT-YBFXNURJSA-N 0 0 553.887 4.746 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000409342158 1067060519 /nfs/dbraw/zinc/06/05/19/1067060519.db2.gz AGTSFDRYIDPVTH-WQRHYEAKSA-N 0 0 569.442 4.956 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409342166 1067060649 /nfs/dbraw/zinc/06/06/49/1067060649.db2.gz CLVDJBJJOAYIGV-HZHRSRAPSA-N 0 0 506.605 4.829 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC(=O)OC ZINC000409342245 1067060832 /nfs/dbraw/zinc/06/08/32/1067060832.db2.gz CXHOZVPFOMKLAQ-LICLKQGHSA-N 0 0 526.405 4.945 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409342249 1067061004 /nfs/dbraw/zinc/06/10/04/1067061004.db2.gz AZIVAYGCIPLTQA-RMORIDSASA-N 0 0 565.585 4.755 40 10 KJCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409342262 1067061041 /nfs/dbraw/zinc/06/10/41/1067061041.db2.gz CZUNHNQVSDNKME-VCHYOVAHSA-N 0 0 569.442 4.874 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409342309 1067060415 /nfs/dbraw/zinc/06/04/15/1067060415.db2.gz BMUHJEOMEOMPGQ-SSDVNMTOSA-N 0 0 587.613 4.994 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCC(=O)OC ZINC000409342357 1066358811 /nfs/dbraw/zinc/35/88/11/1066358811.db2.gz BUABRBILLHBDOQ-WQRHYEAKSA-N 0 0 538.441 4.814 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409342405 1067060457 /nfs/dbraw/zinc/06/04/57/1067060457.db2.gz DNTMMQGSJUAYDL-XDHOZWIPSA-N 0 0 598.484 4.714 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409342449 1067060571 /nfs/dbraw/zinc/06/05/71/1067060571.db2.gz DIBWDLFHXSQDLA-WQRHYEAKSA-N 0 0 569.442 4.956 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409342450 1067060548 /nfs/dbraw/zinc/06/05/48/1067060548.db2.gz FBFVEHVFFNGRQZ-YVLHZVERSA-N 0 0 585.885 4.599 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1 ZINC000409342599 1067060209 /nfs/dbraw/zinc/06/02/09/1067060209.db2.gz FSLLLKPBRKUOON-HAVVHWLPSA-N 0 0 506.605 4.699 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409342628 1067060196 /nfs/dbraw/zinc/06/01/96/1067060196.db2.gz DYIRBLFVVCXTBR-YVLHZVERSA-N 0 0 600.412 4.556 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409342767 1067060149 /nfs/dbraw/zinc/06/01/49/1067060149.db2.gz GHWMSQJOJBKAPH-JMIUGGIZSA-N 0 0 509.521 4.925 40 10 KJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)c(Br)c3)SC2=S)cc1 ZINC000409342865 1067060223 /nfs/dbraw/zinc/06/02/23/1067060223.db2.gz CUUYAHQTPITOQX-WOJGMQOQSA-N 0 0 508.415 4.805 40 10 KJCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC ZINC000409342899 1067059730 /nfs/dbraw/zinc/05/97/30/1067059730.db2.gz FTIZJAGEOCYVSZ-PCLIKHOPSA-N 0 0 593.683 4.666 40 10 KJCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409342910 1066358750 /nfs/dbraw/zinc/35/87/50/1066358750.db2.gz FWIZNBHKZIHJIZ-LICLKQGHSA-N 0 0 553.412 4.714 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409343117 1067059818 /nfs/dbraw/zinc/05/98/18/1067059818.db2.gz FZZBOXJHLJMPCW-RQZCQDPDSA-N 0 0 553.412 4.714 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1 ZINC000409343334 1067059642 /nfs/dbraw/zinc/05/96/42/1067059642.db2.gz GHCIVBAZXDALBI-WQRHYEAKSA-N 0 0 507.431 4.791 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1 ZINC000409343434 1067059775 /nfs/dbraw/zinc/05/97/75/1067059775.db2.gz HCGLQRLBKMDDTF-LICLKQGHSA-N 0 0 516.963 4.616 40 10 KJCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)SC2=S)cc1 ZINC000409343603 1067059292 /nfs/dbraw/zinc/05/92/92/1067059292.db2.gz IAEADNXDBSXDIX-YBEGLDIGSA-N 0 0 513.378 4.723 40 10 KJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409343891 1067059381 /nfs/dbraw/zinc/05/93/81/1067059381.db2.gz DSJRVSMEVHOQLT-LICLKQGHSA-N 0 0 508.961 4.605 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409344229 1067059031 /nfs/dbraw/zinc/05/90/31/1067059031.db2.gz IGXYWIRPIIUPRN-JCMHNJIXSA-N 0 0 513.618 4.877 40 10 KJCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S ZINC000409344233 1067059116 /nfs/dbraw/zinc/05/91/16/1067059116.db2.gz IGMXPMBTGNKEMB-STZFKDTASA-N 0 0 558.615 4.786 40 10 KJCBRN CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000409344251 1067058972 /nfs/dbraw/zinc/05/89/72/1067058972.db2.gz IKKLXIGAZJBIJM-OCKHKDLRSA-N 0 0 520.518 4.964 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000409344373 1067058636 /nfs/dbraw/zinc/05/86/36/1067058636.db2.gz IWPARTGUXTYRML-OEAKJJBVSA-N 0 0 524.595 4.968 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCC(=O)OC ZINC000409344436 1067058486 /nfs/dbraw/zinc/05/84/86/1067058486.db2.gz JFHDIERCEPGKLK-BOPFTXTBSA-N 0 0 561.463 4.776 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)cc(Br)c3OC)SC2=S)cc1 ZINC000409345127 1067058267 /nfs/dbraw/zinc/05/82/67/1067058267.db2.gz JYQBHJOBWFZRGR-OVCLIPMQSA-N 0 0 558.273 4.775 40 10 KJCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409345141 1067058130 /nfs/dbraw/zinc/05/81/30/1067058130.db2.gz KALXMVYGFCSCJH-MTJSOVHGSA-N 0 0 514.629 4.680 40 10 KJCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409345189 1067058077 /nfs/dbraw/zinc/05/80/77/1067058077.db2.gz KFXAVTJMWGKPIA-LICLKQGHSA-N 0 0 555.415 4.566 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1 ZINC000409345374 1067057777 /nfs/dbraw/zinc/05/77/77/1067057777.db2.gz LSAFUUYEEPARSY-HZHRSRAPSA-N 0 0 533.631 4.567 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409345670 1067057245 /nfs/dbraw/zinc/05/72/45/1067057245.db2.gz ISUOPKUKUFSFAZ-BUVRLJJBSA-N 0 0 563.657 4.576 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409345894 1067057273 /nfs/dbraw/zinc/05/72/73/1067057273.db2.gz MBDJYMDOBSGTPY-OEAKJJBVSA-N 0 0 551.602 4.737 40 10 KJCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409345896 1066361781 /nfs/dbraw/zinc/36/17/81/1066361781.db2.gz MQVJJLNRWWYOQN-YVLHZVERSA-N 0 0 555.415 4.566 40 10 KJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)cc1 ZINC000409346181 1067057230 /nfs/dbraw/zinc/05/72/30/1067057230.db2.gz NMPTXJQLDVJHEG-HAVVHWLPSA-N 0 0 506.605 4.699 40 10 KJCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409346438 1067057011 /nfs/dbraw/zinc/05/70/11/1067057011.db2.gz KPKBGBICMQZXPZ-MFOYZWKCSA-N 0 0 587.482 4.979 40 10 KJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346531 1067056976 /nfs/dbraw/zinc/05/69/76/1067056976.db2.gz KIWDDQXLXPIUQM-WSDLNYQXSA-N 0 0 587.613 4.994 40 10 KJCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000409346610 1067057025 /nfs/dbraw/zinc/05/70/25/1067057025.db2.gz NGDKCQUBROXGNR-CXUHLZMHSA-N 0 0 666.300 4.849 40 10 KJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409346743 1067056753 /nfs/dbraw/zinc/05/67/53/1067056753.db2.gz OFLCDPJXKKWTTO-UUYOSTAYSA-N 0 0 527.601 4.597 40 10 KJCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409346782 1066359722 /nfs/dbraw/zinc/35/97/22/1066359722.db2.gz LIDHNHVYCYKUEG-MFOYZWKCSA-N 0 0 573.405 4.787 40 10 KJCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409346825 1067056770 /nfs/dbraw/zinc/05/67/70/1067056770.db2.gz OKGUNAWMSZWQEM-NVMNQCDNSA-N 0 0 507.431 4.581 40 10 KJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)OC ZINC000409346828 1067056748 /nfs/dbraw/zinc/05/67/48/1067056748.db2.gz OEWZIADMJKMFIK-LSCVHKIXSA-N 0 0 552.424 4.534 40 10 KJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1Br ZINC000409346842 1067056889 /nfs/dbraw/zinc/05/68/89/1067056889.db2.gz ORERCBBBAVGGDG-YVLHZVERSA-N 0 0 539.249 4.953 40 10 KJCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409347365 1067074603 /nfs/dbraw/zinc/07/46/03/1067074603.db2.gz PPESVXLSFXJPTM-MSXFZWOLSA-N 0 0 550.614 4.856 40 10 KJCBRN 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ZINC000409399389 1067115604 /nfs/dbraw/zinc/11/56/04/1067115604.db2.gz HSFUDGDVORJZDO-IMRQLAEWSA-N 0 0 506.562 4.573 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C2=O)o1 ZINC000409399472 1067114819 /nfs/dbraw/zinc/11/48/19/1067114819.db2.gz IZMRTHHZUVXCFR-QRVIBDJDSA-N 0 0 557.519 4.662 40 10 KJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000409399600 1066367607 /nfs/dbraw/zinc/36/76/07/1066367607.db2.gz KHBIHHWOXFZLLY-UQQQWYQISA-N 0 0 524.552 4.712 40 10 KJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409399845 1067113899 /nfs/dbraw/zinc/11/38/99/1067113899.db2.gz NPKIZWZGOSEXIE-VEILYXNESA-N 0 0 520.589 4.881 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5cccc(F)c5)cc4)c3C)C2=O)o1 ZINC000409400056 1067113380 /nfs/dbraw/zinc/11/33/80/1067113380.db2.gz NLHWYZQUNGORIF-WGARJPEWSA-N 0 0 586.576 4.723 40 10 KJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409400204 1067113389 /nfs/dbraw/zinc/11/33/89/1067113389.db2.gz QNIZYIHOBXGNEX-YUMHPJSZSA-N 0 0 524.552 4.712 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)o1 ZINC000409400668 1066368052 /nfs/dbraw/zinc/36/80/52/1066368052.db2.gz PXYBNCHHUOUYEE-OCKHKDLRSA-N 0 0 532.778 4.983 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3cccc4ccccc43)C2=O)o1 ZINC000409400804 1067128156 /nfs/dbraw/zinc/12/81/56/1067128156.db2.gz RAOKFTFHLQZJMN-MYYYXRDXSA-N 0 0 525.561 4.957 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C2=O)o1 ZINC000409400865 1067127318 /nfs/dbraw/zinc/12/73/18/1067127318.db2.gz RLNAMTONKSJXLK-XKZIYDEJSA-N 0 0 546.967 4.714 40 10 KJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409400949 1067127323 /nfs/dbraw/zinc/12/73/23/1067127323.db2.gz WHZBMZJBMQPQEO-PKAZHMFMSA-N 0 0 524.552 4.712 40 10 KJCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409401308 1067118754 /nfs/dbraw/zinc/11/87/54/1067118754.db2.gz WSKCWBZDDQSLQB-ZDLGFXPLSA-N 0 0 667.197 4.844 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(C)cc5)cc4)c3C)C2=O)o1 ZINC000409401372 1067118309 /nfs/dbraw/zinc/11/83/09/1067118309.db2.gz SUYGFIZABIITGT-YUMHPJSZSA-N 0 0 582.613 4.893 40 10 KJCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409401742 1066368561 /nfs/dbraw/zinc/36/85/61/1066368561.db2.gz ZNEIAGLWLGLOGT-ZDLGFXPLSA-N 0 0 512.291 4.537 40 10 KJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000409401745 1066207913 /nfs/dbraw/zinc/20/79/13/1066207913.db2.gz ZOBSBOSJKGUMCO-IMRQLAEWSA-N 0 0 520.589 4.881 40 10 KJCBRN O=C(COc1c(I)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I)Nc1ccc(F)cc1 ZINC000409401765 1067125960 /nfs/dbraw/zinc/12/59/60/1067125960.db2.gz ZSWNXZOVTCGIPK-ZDLGFXPLSA-N 0 0 683.215 4.514 40 10 KJCBRN O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)Nc1cccc(F)c1 ZINC000409401768 1067125997 /nfs/dbraw/zinc/12/59/97/1067125997.db2.gz ZTHMBBKSGKPSCM-NVMNQCDNSA-N 0 0 589.215 4.830 40 10 KJCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000409401774 1067126016 /nfs/dbraw/zinc/12/60/16/1067126016.db2.gz ZUQSKILMRYYIBN-IUXPMGMMSA-N 0 0 572.209 4.981 40 10 KJCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409401782 1067125926 /nfs/dbraw/zinc/12/59/26/1067125926.db2.gz ZXTWHRCEOBVLSI-DHDCSXOGSA-N 0 0 590.184 4.777 40 10 KJCBRN O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409401786 1067125984 /nfs/dbraw/zinc/12/59/84/1067125984.db2.gz ZXZWOBOAQVBSTI-ZDLGFXPLSA-N 0 0 589.215 4.830 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Br)cc3)C2=O)o1 ZINC000409402137 1067125475 /nfs/dbraw/zinc/12/54/75/1067125475.db2.gz VLXNKPDGHCZLNO-MTJSOVHGSA-N 0 0 554.397 4.567 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccccc5C)cc4)c3C)C2=O)o1 ZINC000409402935 1067124779 /nfs/dbraw/zinc/12/47/79/1067124779.db2.gz XSHQMGFLMLNFLJ-YUMHPJSZSA-N 0 0 582.613 4.893 40 10 KJCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccccc5F)cc4)c3C)C2=O)o1 ZINC000409403052 1066367783 /nfs/dbraw/zinc/36/77/83/1066367783.db2.gz YKQNCUXPDLGERC-YSMPRRRNSA-N 0 0 586.576 4.723 40 10 KJCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409405533 1067121140 /nfs/dbraw/zinc/12/11/40/1067121140.db2.gz HNTIRXWYTZZAOD-BKUYFWCQSA-N 0 0 550.409 4.635 40 10 KJCBRN COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000409406820 1067119633 /nfs/dbraw/zinc/11/96/33/1067119633.db2.gz CYXBQEKLZHQDGG-VCHYOVAHSA-N 0 0 632.261 4.918 40 10 KJCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409410106 1067133692 /nfs/dbraw/zinc/13/36/92/1067133692.db2.gz YXNHGFAZDRLINB-ODLFYWEKSA-N 0 0 560.775 4.994 40 10 KJCBRN Nc1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N(Cc2ccccc2)Cc2ccc(N)cc2)cc1 ZINC000575419895 1066467308 /nfs/dbraw/zinc/46/73/08/1066467308.db2.gz AFUUZUGSBUPZMS-MEKGRNQZSA-N 0 0 540.733 4.721 40 10 KJCBRN Nc1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N(Cc2ccccc2)Cc2ccc(N)cc2)cc1 ZINC000575419896 1066467396 /nfs/dbraw/zinc/46/73/96/1066467396.db2.gz AFUUZUGSBUPZMS-ROJLCIKYSA-N 0 0 540.733 4.721 40 10 KJCBRN CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3Cl)[C@@H](C=CCO2)C1 ZINC000958317646 1067139795 /nfs/dbraw/zinc/13/97/95/1067139795.db2.gz HKVHWOAKLRGDSK-BDYUSTAISA-N 0 0 602.179 4.623 40 10 KJCBRN CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)[C@@H](C=CCO2)C1 ZINC000958317647 1067140111 /nfs/dbraw/zinc/14/01/11/1067140111.db2.gz HRNGCLNBANLEJI-SVBPBHIXSA-N 0 0 602.179 4.623 40 10 KJCBRN CCc1cc2c3c(c1)C(CSc1nnc(C)s1)=CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O ZINC001554503143 1067205567 /nfs/dbraw/zinc/20/55/67/1067205567.db2.gz IKFVTPYYYXWEBK-ICFOKQHNSA-N 0 0 500.696 4.582 40 10 KJCBRN COc1ccc(-c2nnc(SCC3=CC(C)(C)N4C(=O)C(=C5SC(=S)NC5=O)c5cc(OC)cc3c54)o2)cc1 ZINC001554503201 1067205534 /nfs/dbraw/zinc/20/55/34/1067205534.db2.gz OFYWHHHJLLWFCN-VZCXRCSSSA-N 0 0 578.697 4.927 40 10 KJCBRN CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O ZINC001554503310 1067205450 /nfs/dbraw/zinc/20/54/50/1067205450.db2.gz ZAZZFFZKIMLHFY-ZPHPHTNESA-N 0 0 508.625 4.876 40 10 KJCBRN Cc1cc(CN2CCC(c3c4nc(-c5ccc(N6CC[NH+](C)CC6)cc5)[nH]c4ncc3Br)CC2)no1 ZINC001569989276 1067206303 /nfs/dbraw/zinc/20/63/03/1067206303.db2.gz BLAGDQCKNWTIQG-UHFFFAOYSA-N 0 0 550.505 4.815 40 10 KJCBRN