smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(Nc2c3ccccc3[nH+]c3ccccc32)cc1Br ZINC000005011894 556028339 /nfs/dbraw/zinc/02/83/39/556028339.db2.gz AWWDWKSZGJPJJM-UHFFFAOYSA-N 0 1 444.126 6.362 40 10 IKCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=C1C(C)=NN(c2ccccc2)C1=O)c1ccccc1 ZINC000016249344 556594510 /nfs/dbraw/zinc/59/45/10/556594510.db2.gz PSFJDPBSUSQRHP-IZHYLOQSSA-N 0 1 434.499 5.111 40 10 IKCBMN CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016610424 556617624 /nfs/dbraw/zinc/61/76/24/556617624.db2.gz UGYAXVWQMBJZHI-MFVBVHDHSA-N 0 1 444.940 5.198 40 10 IKCBMN Cc1c2ccc([O-])c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc(=O)c1Cc1ccccc1 ZINC000079188400 556633887 /nfs/dbraw/zinc/63/38/87/556633887.db2.gz HEEJZIZZTPCGPK-MMTVBGGISA-N 0 1 431.576 5.798 40 10 IKCBMN C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044854026 556671181 /nfs/dbraw/zinc/67/11/81/556671181.db2.gz PGDWTDOSYDSADX-NRFANRHFSA-N 0 1 437.603 5.151 40 10 IKCBMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991203 556707464 /nfs/dbraw/zinc/70/74/64/556707464.db2.gz PQLHVBQQXRVMLJ-NRFANRHFSA-N 0 1 444.000 5.177 40 10 IKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)NC2=S)c1 ZINC000409018465 556721909 /nfs/dbraw/zinc/72/19/09/556721909.db2.gz WVZSFYWHNJKDJY-HYARGMPZSA-N 0 1 444.556 5.075 40 10 IKCBMN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000000884981 556735137 /nfs/dbraw/zinc/73/51/37/556735137.db2.gz KLBKHYVFGYZOPM-LDADJPATSA-N 0 1 439.298 5.034 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409142481 556873559 /nfs/dbraw/zinc/87/35/59/556873559.db2.gz LONRBDWUXSVNGN-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409145937 556874693 /nfs/dbraw/zinc/87/46/93/556874693.db2.gz QVIHUDSTSFYKFE-LFIBNONCSA-N 0 1 433.291 5.048 40 10 IKCBMN O=C1/C(=C\c2cc(Br)cc(Cl)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969798 556904343 /nfs/dbraw/zinc/90/43/43/556904343.db2.gz UUNOWSRQMYDGGI-GHXNOFRVSA-N 0 1 445.622 5.157 40 10 IKCBMN O=C1/C(=C\c2cc(Cl)cc(Br)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972816 556907500 /nfs/dbraw/zinc/90/75/00/556907500.db2.gz VWKSCUJUMDJGQG-GHXNOFRVSA-N 0 1 445.622 5.157 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409160216 556974785 /nfs/dbraw/zinc/97/47/85/556974785.db2.gz DVRFJIMTDYAEGP-RVDMUPIBSA-N 0 1 433.291 5.048 40 10 IKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 ZINC000409228558 557015257 /nfs/dbraw/zinc/01/52/57/557015257.db2.gz BNWNVTKNOQAQRO-CPNJWEJPSA-N 0 1 448.569 5.187 40 10 IKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 ZINC000409237076 557018805 /nfs/dbraw/zinc/01/88/05/557018805.db2.gz VUTMEDJKWAYAIW-DEDYPNTBSA-N 0 1 434.492 5.040 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000409230806 557022644 /nfs/dbraw/zinc/02/26/44/557022644.db2.gz GTUMQCQFSNXWBC-RVDMUPIBSA-N 0 1 443.311 5.085 40 10 IKCBMN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 ZINC000409246038 557027592 /nfs/dbraw/zinc/02/75/92/557027592.db2.gz CYLRCTUYZCCAGF-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000409246884 557028614 /nfs/dbraw/zinc/02/86/14/557028614.db2.gz KOPYYCCSBPHSEA-RVDMUPIBSA-N 0 1 443.311 5.085 40 10 IKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c1 ZINC000409248831 557029754 /nfs/dbraw/zinc/02/97/54/557029754.db2.gz RJMGPWVIAJMCJX-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000408530419 557030497 /nfs/dbraw/zinc/03/04/97/557030497.db2.gz LSBUYYHFGHXPNX-YBEGLDIGSA-N 0 1 443.301 5.001 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000408530419 557030501 /nfs/dbraw/zinc/03/05/01/557030501.db2.gz LSBUYYHFGHXPNX-YBEGLDIGSA-N 0 1 443.301 5.001 40 10 IKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409231455 557058530 /nfs/dbraw/zinc/05/85/30/557058530.db2.gz KIZWVDJZYDPZFG-WNSCPLKPSA-N 0 1 444.556 5.157 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000001854298 557126236 /nfs/dbraw/zinc/12/62/36/557126236.db2.gz VTWQYZGGWJJXOR-HYARGMPZSA-N 0 1 439.471 5.343 40 10 IKCBMN O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000003040886 557135778 /nfs/dbraw/zinc/13/57/78/557135778.db2.gz IEAVLOZWLSVVRQ-HYARGMPZSA-N 0 1 432.401 5.473 40 10 IKCBMN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1Sc1ccccc1 ZINC000112290182 557238976 /nfs/dbraw/zinc/23/89/76/557238976.db2.gz HEUPTMJUTWNVJE-PLRJNAJWSA-N 0 1 427.573 6.727 40 10 IKCBMN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1Sc1ccccc1 ZINC000112296328 557239726 /nfs/dbraw/zinc/23/97/26/557239726.db2.gz FAQARHUXCOIODJ-BWAHOGKJSA-N 0 1 445.563 6.866 40 10 IKCBMN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@H]2C=CC=C[C@@H]2C3=O)cc1C ZINC000100643758 557267196 /nfs/dbraw/zinc/26/71/96/557267196.db2.gz BPFNGJOREWNVEV-ZEQRLZLVSA-N 0 1 448.566 7.145 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C)c1 ZINC000059135925 557815601 /nfs/dbraw/zinc/81/56/01/557815601.db2.gz VGTJXULBSOWIPO-CPNJWEJPSA-N 0 1 433.508 5.213 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000059135723 557815605 /nfs/dbraw/zinc/81/56/05/557815605.db2.gz LKCVRKPALNDONP-XMHGGMMESA-N 0 1 432.476 5.076 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137201 557815847 /nfs/dbraw/zinc/81/58/47/557815847.db2.gz NILMIRXARYDCHA-FYJGNVAPSA-N 0 1 447.535 5.522 40 10 IKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(Br)o1 ZINC000059956917 557827863 /nfs/dbraw/zinc/82/78/63/557827863.db2.gz CFOVKJMJOCYYDJ-SOFGYWHQSA-N 0 1 446.109 5.021 40 10 IKCBMN Cc1ccc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)c(C)c1 ZINC000033735435 569259819 /nfs/dbraw/zinc/25/98/19/569259819.db2.gz PSVURUCLSHTWFF-LDADJPATSA-N 0 1 437.540 5.023 40 10 IKCBMN COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)cc1 ZINC000041108828 525112914 /nfs/dbraw/zinc/11/29/14/525112914.db2.gz QRVQPWUJRTZFHP-KWPCUBQOSA-N 0 1 448.500 5.503 40 10 IKCBMN COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)cc1 ZINC000041108827 525113640 /nfs/dbraw/zinc/11/36/40/525113640.db2.gz QRVQPWUJRTZFHP-CPOQMQJTSA-N 0 1 448.500 5.503 40 10 IKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c1C ZINC000409134229 556968630 /nfs/dbraw/zinc/96/86/30/556968630.db2.gz NHYIRXZAZISJQG-HKWRFOASSA-N 0 1 444.581 5.286 40 10 IKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000409228575 557015365 /nfs/dbraw/zinc/01/53/65/557015365.db2.gz ZKCLVYMPSOUEQG-PXLXIMEGSA-N 0 1 444.581 5.286 40 10 IKCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409230384 557022318 /nfs/dbraw/zinc/02/23/18/557022318.db2.gz CPWPWKRJMCCJJE-PXLXIMEGSA-N 0 1 444.556 5.193 40 10 IKCBMN COc1cc(-n2[nH]c(C)c(C=Nc3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000408530649 557031572 /nfs/dbraw/zinc/03/15/72/557031572.db2.gz JKUPKJIHIZDUMB-WQLSENKSSA-N 0 1 445.133 6.027 40 10 IKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)c1 ZINC000409231635 557058546 /nfs/dbraw/zinc/05/85/46/557058546.db2.gz DPHPDXBWTMLDCQ-PXLXIMEGSA-N 0 1 443.572 5.049 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409401369 557101992 /nfs/dbraw/zinc/10/19/92/557101992.db2.gz XJNJWFVPRXXUEQ-UNOMPAQXSA-N 0 1 439.298 5.034 40 10 IKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000408722422 557136422 /nfs/dbraw/zinc/13/64/22/557136422.db2.gz IQRACHHTYOURSC-BJMVGYQFSA-N 0 1 446.142 5.132 40 10 IKCBMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000103918972 557140696 /nfs/dbraw/zinc/14/06/96/557140696.db2.gz KRMWEGMTOMSVOJ-UNOMPAQXSA-N 0 1 428.920 5.978 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000111426883 557227814 /nfs/dbraw/zinc/22/78/14/557227814.db2.gz VQJZANPXQKBROZ-HYARGMPZSA-N 0 1 435.593 5.058 40 10 IKCBMN C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219424190 557244237 /nfs/dbraw/zinc/24/42/37/557244237.db2.gz IDJCCCMYSQLHIC-RTWAWAEBSA-N 0 1 437.603 5.151 40 10 IKCBMN Cc1ccccc1N=Nc1ccc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(C)c1 ZINC000104226066 557322462 /nfs/dbraw/zinc/32/24/62/557322462.db2.gz CGFQDCNEANTKJL-BFWJDIMNSA-N 0 1 438.535 7.450 40 10 IKCBMN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccccc2O)Nc2ccccc2S3)cc1 ZINC000017095880 557487100 /nfs/dbraw/zinc/48/71/00/557487100.db2.gz IWGHOXXHBAKYFF-JOCHJYFZSA-N 0 1 428.513 5.041 40 10 IKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000033318060 557807145 /nfs/dbraw/zinc/80/71/45/557807145.db2.gz MWIHTMWFYCLZNE-NTEUORMPSA-N 0 1 431.231 5.349 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033933346 557810426 /nfs/dbraw/zinc/81/04/26/557810426.db2.gz ZNUFTNXUSKXDOA-CPNJWEJPSA-N 0 1 433.508 5.213 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C)c1C ZINC000059135929 557815513 /nfs/dbraw/zinc/81/55/13/557815513.db2.gz OYZUGFUSFUKUQX-CPNJWEJPSA-N 0 1 447.535 5.522 40 10 IKCBMN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S ZINC000059137203 557815861 /nfs/dbraw/zinc/81/58/61/557815861.db2.gz HUENSNQAZQAQBW-KGENOOAVSA-N 0 1 447.535 5.467 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059136171 557815868 /nfs/dbraw/zinc/81/58/68/557815868.db2.gz NOGOQFQLWIJUIL-WOJGMQOQSA-N 0 1 437.471 5.044 40 10 IKCBMN Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000059136250 557815922 /nfs/dbraw/zinc/81/59/22/557815922.db2.gz VCJOIEBTDKTTLO-LFIBNONCSA-N 0 1 440.883 5.719 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000059137827 557816088 /nfs/dbraw/zinc/81/60/88/557816088.db2.gz BCJHAJSQKOBXJZ-CPNJWEJPSA-N 0 1 434.542 5.719 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 ZINC000059137963 557816128 /nfs/dbraw/zinc/81/61/28/557816128.db2.gz HFFDKRFWGAEZMF-CPNJWEJPSA-N 0 1 448.569 6.028 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137418 557816135 /nfs/dbraw/zinc/81/61/35/557816135.db2.gz RHZWWKJHSNKJNN-UDWIEESQSA-N 0 1 433.508 5.213 40 10 IKCBMN Cc1nn(Cc2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000059859033 557827622 /nfs/dbraw/zinc/82/76/22/557827622.db2.gz IRSNWZZZGXSNNY-BKUYFWCQSA-N 0 1 433.943 5.229 40 10 IKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn([C@@H](C)CC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000109041720 569253502 /nfs/dbraw/zinc/25/35/02/569253502.db2.gz GECYYUWUJKATKB-YIRPMMGJSA-N 0 1 431.561 5.006 40 10 IKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn([C@H](C)CC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000109041724 569253557 /nfs/dbraw/zinc/25/35/57/569253557.db2.gz GECYYUWUJKATKB-ZFMLPXDISA-N 0 1 431.561 5.006 40 10 IKCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000033727743 569259749 /nfs/dbraw/zinc/25/97/49/569259749.db2.gz FMHDBUFYOVVODV-LICLKQGHSA-N 0 1 443.931 5.059 40 10 IKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5o4)c(=O)oc31)C2 ZINC000008757636 569474193 /nfs/dbraw/zinc/47/41/93/569474193.db2.gz ZQZBEZCZTRKITD-XGCWNURASA-N 0 1 444.531 5.707 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000408530517 555727258 /nfs/dbraw/zinc/72/72/58/555727258.db2.gz JAZUXDJDUSLTSB-ZROIWOOFSA-N 0 1 439.140 5.783 40 10 IKCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000035191535 555984424 /nfs/dbraw/zinc/98/44/24/555984424.db2.gz DOICKNIWJQKPHW-XMHGGMMESA-N 0 1 437.540 5.050 40 10 IKCBMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2=O)cc1 ZINC000085880083 556708504 /nfs/dbraw/zinc/70/85/04/556708504.db2.gz MYEUUXSFZCEDQF-MYUZEXMDSA-N 0 1 433.548 5.575 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C1CCCCC1 ZINC000409127706 556836500 /nfs/dbraw/zinc/83/65/00/556836500.db2.gz JMDHNCDHXFRYPH-KGENOOAVSA-N 0 1 435.593 5.058 40 10 IKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000408850759 556871009 /nfs/dbraw/zinc/87/10/09/556871009.db2.gz DVHLPYKQHIZMFV-RMKNXTFCSA-N 0 1 446.142 5.132 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCCC1 ZINC000409148453 556875662 /nfs/dbraw/zinc/87/56/62/556875662.db2.gz ZFMREQPUNILKAS-KGENOOAVSA-N 0 1 435.593 5.058 40 10 IKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000409229467 557015773 /nfs/dbraw/zinc/01/57/73/557015773.db2.gz PKVFECACSPVTJQ-HAHDFKILSA-N 0 1 443.572 5.049 40 10 IKCBMN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408527953 557030892 /nfs/dbraw/zinc/03/08/92/557030892.db2.gz GVVZCDJNBZZKSU-ATVHPVEESA-N 0 1 440.728 5.974 40 10 IKCBMN Cc1nn(Cc2ccccc2Cl)c(C)c1N=Cc1c(C)[nH]n(-c2cccc(C)c2)c1=O ZINC000408532425 557031595 /nfs/dbraw/zinc/03/15/95/557031595.db2.gz MPQGOAZQLNYXPF-BKUYFWCQSA-N 0 1 433.943 5.229 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000408539146 557033106 /nfs/dbraw/zinc/03/31/06/557033106.db2.gz UEWGZFLOIQCWRG-YBEGLDIGSA-N 0 1 443.301 5.001 40 10 IKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000409221431 557037778 /nfs/dbraw/zinc/03/77/78/557037778.db2.gz QDOTXWZBJOSXJC-PXLXIMEGSA-N 0 1 444.581 5.286 40 10 IKCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C(C)C ZINC000409222676 557043999 /nfs/dbraw/zinc/04/39/99/557043999.db2.gz CVWSSJSQIIPAAI-FYJGNVAPSA-N 0 1 436.577 5.082 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409228610 557054777 /nfs/dbraw/zinc/05/47/77/557054777.db2.gz ZXRZPDBROVQTQG-VCHYOVAHSA-N 0 1 437.952 5.015 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408601126 557068603 /nfs/dbraw/zinc/06/86/03/557068603.db2.gz IOHLCNOYDBKVJM-WJDWOHSUSA-N 0 1 443.311 5.085 40 10 IKCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000409238043 557079122 /nfs/dbraw/zinc/07/91/22/557079122.db2.gz BTAFQURXJFPWBO-WOJGMQOQSA-N 0 1 442.968 5.082 40 10 IKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409237676 557079206 /nfs/dbraw/zinc/07/92/06/557079206.db2.gz KUBAACWAPDQMPU-LQELWAHVSA-N 0 1 449.359 5.002 40 10 IKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409247031 557080339 /nfs/dbraw/zinc/08/03/39/557080339.db2.gz FYXMJVXPMZMFGT-FYJGNVAPSA-N 0 1 431.561 5.177 40 10 IKCBMN Cc1c2ccc([O-])c(C[N@H+]3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2oc(=O)c1Cc1ccccc1 ZINC000085874628 557104113 /nfs/dbraw/zinc/10/41/13/557104113.db2.gz HEEJZIZZTPCGPK-PIIWDFAUSA-N 0 1 431.576 5.798 40 10 IKCBMN O=C(NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)SC1=S)c1cccs1 ZINC000409329531 557111667 /nfs/dbraw/zinc/11/16/67/557111667.db2.gz FGXSYFZGZOVLNR-DEDYPNTBSA-N 0 1 446.578 5.601 40 10 IKCBMN CCc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1 ZINC000409376193 557138824 /nfs/dbraw/zinc/13/88/24/557138824.db2.gz VRKSKUGOCHAQCH-PGMHBOJBSA-N 0 1 444.581 5.232 40 10 IKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000005947735 557144913 /nfs/dbraw/zinc/14/49/13/557144913.db2.gz NLHGKCFXQALGEI-MHWRWJLKSA-N 0 1 442.302 5.318 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409409404 557145627 /nfs/dbraw/zinc/14/56/27/557145627.db2.gz VAOZQKQQLJWUMU-NDENLUEZSA-N 0 1 439.298 5.034 40 10 IKCBMN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccccc2O)Nc2ccccc2S3)cc1 ZINC000017095879 557487060 /nfs/dbraw/zinc/48/70/60/557487060.db2.gz IWGHOXXHBAKYFF-QFIPXVFZSA-N 0 1 428.513 5.041 40 10 IKCBMN Cc1cc(C)cc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)c1 ZINC000033704194 557809208 /nfs/dbraw/zinc/80/92/08/557809208.db2.gz HBDGMVHHVIVDJN-XDHOZWIPSA-N 0 1 437.540 5.023 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000059135838 557815497 /nfs/dbraw/zinc/81/54/97/557815497.db2.gz COUMTDKDUBZUDH-RVDMUPIBSA-N 0 1 426.856 5.411 40 10 IKCBMN Cc1ccc(COc2ccccc2C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000059136424 557815933 /nfs/dbraw/zinc/81/59/33/557815933.db2.gz WSNLRKOLNPCSSM-XMHGGMMESA-N 0 1 446.503 5.385 40 10 IKCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cc1ccccc1 ZINC000059139130 557816463 /nfs/dbraw/zinc/81/64/63/557816463.db2.gz HQBCREPSXVMIBI-XDJHFCHBSA-N 0 1 446.503 5.097 40 10 IKCBMN CC(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198518 557818497 /nfs/dbraw/zinc/81/84/97/557818497.db2.gz ZXAOLJAZJMXUTK-GZTJUZNOSA-N 0 1 429.339 5.244 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000059109549 557820633 /nfs/dbraw/zinc/82/06/33/557820633.db2.gz HROVNZCLZFNTDK-XQNSMLJCSA-N 0 1 441.531 5.882 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000096476602 557838240 /nfs/dbraw/zinc/83/82/40/557838240.db2.gz SKSLANBCEQHXQR-YBFXNURJSA-N 0 1 427.957 5.545 40 10 IKCBMN O=C1/C(=C/c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccccc1 ZINC000003044090 569259025 /nfs/dbraw/zinc/25/90/25/569259025.db2.gz AORDDZSDURWULY-QPEQYQDCSA-N 0 1 426.744 5.214 40 10 IKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260562595 569281207 /nfs/dbraw/zinc/28/12/07/569281207.db2.gz AQKWCWFQPQEVOC-AQRZYSDFSA-N 0 1 447.604 5.019 40 10 IKCBMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 ZINC000001272780 536657727 /nfs/dbraw/zinc/65/77/27/536657727.db2.gz AQRHOGCGAPAWFD-HYARGMPZSA-N 0 1 445.544 5.083 40 10 IKCBMN O=C1c2ccccc2C(=O)C12C(c1cccs1)=C(c1ccccc1)NN2c1ccccc1 ZINC000003851653 555949186 /nfs/dbraw/zinc/94/91/86/555949186.db2.gz VKBDXBZNISQWFJ-HSZRJFAPSA-N 0 1 434.520 5.574 40 10 IKCBMN Cc1cccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)NC2=S)c1C ZINC000409124875 556824452 /nfs/dbraw/zinc/82/44/52/556824452.db2.gz LCYYLKPNHVEMJT-KGENOOAVSA-N 0 1 444.556 5.075 40 10 IKCBMN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@@H]2C=CC=C[C@H]2C3=O)cc1C ZINC000068601175 556848748 /nfs/dbraw/zinc/84/87/48/556848748.db2.gz BPFNGJOREWNVEV-DNQXCXABSA-N 0 1 448.566 7.145 40 10 IKCBMN CC(C)(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408851959 556869843 /nfs/dbraw/zinc/86/98/43/556869843.db2.gz OHIAUNYRMHLMLG-SDNWHVSQSA-N 0 1 433.360 5.122 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408529117 557031362 /nfs/dbraw/zinc/03/13/62/557031362.db2.gz GZCTWPIMXJAVOA-ZROIWOOFSA-N 0 1 449.692 5.038 40 10 IKCBMN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408533608 557032408 /nfs/dbraw/zinc/03/24/08/557032408.db2.gz ONGGIZJDZGCLDB-ZROIWOOFSA-N 0 1 439.140 5.783 40 10 IKCBMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408533608 557032414 /nfs/dbraw/zinc/03/24/14/557032414.db2.gz ONGGIZJDZGCLDB-ZROIWOOFSA-N 0 1 439.140 5.783 40 10 IKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409237674 557079217 /nfs/dbraw/zinc/07/92/17/557079217.db2.gz KUBAACWAPDQMPU-HLVNSREUSA-N 0 1 449.359 5.002 40 10 IKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001168364 557119628 /nfs/dbraw/zinc/11/96/28/557119628.db2.gz ODNFXBYEPPCGEM-OQLLNIDSSA-N 0 1 431.231 5.349 40 10 IKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000005947742 557144883 /nfs/dbraw/zinc/14/48/83/557144883.db2.gz XJXUDBOHODFYFK-RQZCQDPDSA-N 0 1 442.302 5.318 40 10 IKCBMN Oc1c2c(c(O)c3ccccc13)[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000103952324 557318913 /nfs/dbraw/zinc/31/89/13/557318913.db2.gz FPPDSNPJQKKTIP-LJWNLINESA-N 0 1 429.519 6.301 40 10 IKCBMN Cc1ccccc1N=Nc1ccc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(C)c1 ZINC000104226069 557322483 /nfs/dbraw/zinc/32/24/83/557322483.db2.gz CGFQDCNEANTKJL-XKYJUMAPSA-N 0 1 438.535 7.450 40 10 IKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1c2ccccc2cc2ccccc12 ZINC000033366154 557807463 /nfs/dbraw/zinc/80/74/63/557807463.db2.gz DLRDONRBKVHLJZ-HYARGMPZSA-N 0 1 442.927 6.318 40 10 IKCBMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)cc1 ZINC000033703559 557809192 /nfs/dbraw/zinc/80/91/92/557809192.db2.gz RIHPKJFKXURTEQ-LPYMAVHISA-N 0 1 447.535 5.467 40 10 IKCBMN CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000059135932 557815581 /nfs/dbraw/zinc/81/55/81/557815581.db2.gz KVHCEGAHPAMALE-XSFVSMFZSA-N 0 1 447.535 5.467 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059135868 557815631 /nfs/dbraw/zinc/81/56/31/557815631.db2.gz ICKYQAMAVWMTTP-DEDYPNTBSA-N 0 1 447.535 5.522 40 10 IKCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 ZINC000059137973 557816021 /nfs/dbraw/zinc/81/60/21/557816021.db2.gz AZJPCMWFIBISRK-XSFVSMFZSA-N 0 1 448.569 5.973 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000059109532 557820470 /nfs/dbraw/zinc/82/04/70/557820470.db2.gz ZPMUQEFXIIEIRG-UDWIEESQSA-N 0 1 439.943 5.691 40 10 IKCBMN COc1cc([O-])c(C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 ZINC000036552033 569117680 /nfs/dbraw/zinc/11/76/80/569117680.db2.gz KBQVRFHSKXFXPL-DNOBIOAJSA-N 0 1 433.548 5.575 40 10 IKCBMN Cc1oc2ccc([O-])c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 ZINC000009970912 569217176 /nfs/dbraw/zinc/21/71/76/569217176.db2.gz OMULAHCZLIAMNR-MMTVBGGISA-N 0 1 446.591 5.777 40 10 IKCBMN Cc1oc2ccc([O-])c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 ZINC000009970912 569217177 /nfs/dbraw/zinc/21/71/77/569217177.db2.gz OMULAHCZLIAMNR-MMTVBGGISA-N 0 1 446.591 5.777 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000034713532 569260040 /nfs/dbraw/zinc/26/00/40/569260040.db2.gz HFJSIVHGJGPBHH-PDGQHHTCSA-N 0 1 439.298 5.034 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002369034 132253004 /nfs/dbraw/zinc/25/30/04/132253004.db2.gz MHPNWXCWIYCGBB-FYJGNVAPSA-N 0 1 433.508 5.213 40 10 IKCBMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000001681102 555709274 /nfs/dbraw/zinc/70/92/74/555709274.db2.gz DAEYISIKMSQAON-UHFFFAOYSA-N 0 1 438.354 6.760 40 10 IKCBMN O=C1c2ccccc2C(=O)C12C(c1cccs1)=C(c1ccccc1)NN2c1ccccc1 ZINC000003851655 555949324 /nfs/dbraw/zinc/94/93/24/555949324.db2.gz VKBDXBZNISQWFJ-QHCPKHFHSA-N 0 1 434.520 5.574 40 10 IKCBMN Cc1ccc2nc(Sc3ccc(C=C4SC(=S)N(c5ccccc5)C4=O)o3)[nH]c2c1 ZINC000408962974 556567331 /nfs/dbraw/zinc/56/73/31/556567331.db2.gz WNZXCNRNAIBDMQ-LDADJPATSA-N 0 1 449.582 6.021 40 10 IKCBMN CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016610421 556617540 /nfs/dbraw/zinc/61/75/40/556617540.db2.gz UGYAXVWQMBJZHI-GPLLRDDGSA-N 0 1 444.940 5.198 40 10 IKCBMN CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000016693109 556627951 /nfs/dbraw/zinc/62/79/51/556627951.db2.gz KESHAXOCTJHKKU-ATVHPVEESA-N 0 1 427.287 5.007 40 10 IKCBMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044854024 556671154 /nfs/dbraw/zinc/67/11/54/556671154.db2.gz PGDWTDOSYDSADX-OAQYLSRUSA-N 0 1 437.603 5.151 40 10 IKCBMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2=O)cc1 ZINC000085880086 556708450 /nfs/dbraw/zinc/70/84/50/556708450.db2.gz MYEUUXSFZCEDQF-DNOBIOAJSA-N 0 1 433.548 5.575 40 10 IKCBMN COc1ccc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)cc1Cc1c(C)n[nH]c1C ZINC000019215466 556711865 /nfs/dbraw/zinc/71/18/65/556711865.db2.gz XGCTXEASQRIIEM-RUZDIDTESA-N 0 1 446.620 5.464 40 10 IKCBMN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000409041713 556749607 /nfs/dbraw/zinc/74/96/07/556749607.db2.gz JIAPFSRQKYSKJG-FPYGCLRLSA-N 0 1 437.151 5.201 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000409132746 556843378 /nfs/dbraw/zinc/84/33/78/556843378.db2.gz KRQOXICDMDBPOO-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409143773 556873877 /nfs/dbraw/zinc/87/38/77/556873877.db2.gz HQVDJLALSZAUNR-LFIBNONCSA-N 0 1 433.291 5.048 40 10 IKCBMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991204 556911702 /nfs/dbraw/zinc/91/17/02/556911702.db2.gz PQLHVBQQXRVMLJ-OAQYLSRUSA-N 0 1 444.000 5.177 40 10 IKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409019669 556924043 /nfs/dbraw/zinc/92/40/43/556924043.db2.gz KCPJCWAZAYVNCZ-SEJMYLSOSA-N 0 1 449.359 5.002 40 10 IKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c1C ZINC000409141962 556972804 /nfs/dbraw/zinc/97/28/04/556972804.db2.gz JVOHRMGFKPRXKX-RCCKNPSSSA-N 0 1 444.581 5.286 40 10 IKCBMN CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408541402 557033609 /nfs/dbraw/zinc/03/36/09/557033609.db2.gz ZJLOFBONQUOKAB-CYVLTUHYSA-N 0 1 442.968 5.130 40 10 IKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl ZINC000408586804 557045920 /nfs/dbraw/zinc/04/59/20/557045920.db2.gz RCRURKQFYARQKC-UHFFFAOYSA-N 0 1 436.316 5.034 40 10 IKCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409231453 557058489 /nfs/dbraw/zinc/05/84/89/557058489.db2.gz KIZWVDJZYDPZFG-LBSLPOPVSA-N 0 1 444.556 5.157 40 10 IKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000409242077 557079763 /nfs/dbraw/zinc/07/97/63/557079763.db2.gz UJOQMKZEBHTAQH-HZHRSRAPSA-N 0 1 443.572 5.049 40 10 IKCBMN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)c1cccs1 ZINC000409350228 557129353 /nfs/dbraw/zinc/12/93/53/557129353.db2.gz QZOFVEWHPQFYNT-QGOAFFKASA-N 0 1 438.555 5.087 40 10 IKCBMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC ZINC000103918252 557140903 /nfs/dbraw/zinc/14/09/03/557140903.db2.gz HNNLQTDVCHIZHU-STZFKDTASA-N 0 1 436.537 5.202 40 10 IKCBMN COc1ccc(N2N=C(C)C(=C(C)Nc3ccccc3Sc3ccccc3)C2=O)cc1 ZINC000112289258 557238464 /nfs/dbraw/zinc/23/84/64/557238464.db2.gz LUDRYIHTUYANPH-ULJHMMPZSA-N 0 1 429.545 5.955 40 10 IKCBMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100929779 557278957 /nfs/dbraw/zinc/27/89/57/557278957.db2.gz FPBBHWKFGLKXMA-JYRVWZFOSA-N 0 1 425.659 5.274 40 10 IKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223551144 557485006 /nfs/dbraw/zinc/48/50/06/557485006.db2.gz AQKWCWFQPQEVOC-JPOGYNCRSA-N 0 1 447.604 5.019 40 10 IKCBMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000033409495 557808140 /nfs/dbraw/zinc/80/81/40/557808140.db2.gz XVKABSWSIUSPOY-PDGQHHTCSA-N 0 1 438.892 5.280 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000059136230 557815902 /nfs/dbraw/zinc/81/59/02/557815902.db2.gz RCSLHWOPJSEJST-CPNJWEJPSA-N 0 1 447.535 5.522 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137422 557816035 /nfs/dbraw/zinc/81/60/35/557816035.db2.gz PKZRPFQOPGIUSO-CIAFOILYSA-N 0 1 447.535 5.522 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 ZINC000059137969 557816150 /nfs/dbraw/zinc/81/61/50/557816150.db2.gz MNLXXARIYNRYRJ-FOWTUZBSSA-N 0 1 438.505 5.550 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000059194101 557818259 /nfs/dbraw/zinc/81/82/59/557818259.db2.gz WGMSQOMQCOOSNC-NDENLUEZSA-N 0 1 439.298 5.034 40 10 IKCBMN COc1cc([O-])c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 ZINC000011865267 569303104 /nfs/dbraw/zinc/30/31/04/569303104.db2.gz KBQVRFHSKXFXPL-MYUZEXMDSA-N 0 1 433.548 5.575 40 10 IKCBMN Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000035146606 524492420 /nfs/dbraw/zinc/49/24/20/524492420.db2.gz UINRCLRCWIBRRC-LPYMAVHISA-N 0 1 439.471 5.093 40 10 IKCBMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1c(C)c(C)c(Br)cc1[N+](=O)[O-] ZINC000408536770 555765925 /nfs/dbraw/zinc/76/59/25/555765925.db2.gz XYUGDADJQIIUOY-YBEGLDIGSA-N 0 1 443.301 5.001 40 10 IKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc31)C2 ZINC000005317889 556763230 /nfs/dbraw/zinc/76/32/30/556763230.db2.gz LWTOUQIZYBPKCQ-XGCWNURASA-N 0 1 443.547 5.443 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C1CCCCC1 ZINC000409244649 557026742 /nfs/dbraw/zinc/02/67/42/557026742.db2.gz GUUCQMLXDPEGTE-QGOAFFKASA-N 0 1 441.984 5.095 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C1CCCCC1 ZINC000409245845 557027575 /nfs/dbraw/zinc/02/75/75/557027575.db2.gz ZUANDDNRQYMKDD-KGENOOAVSA-N 0 1 435.593 5.058 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000408532164 557032008 /nfs/dbraw/zinc/03/20/08/557032008.db2.gz PVLGNOOOVKPLNT-GDNBJRDFSA-N 0 1 443.301 5.001 40 10 IKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000409243139 557033146 /nfs/dbraw/zinc/03/31/46/557033146.db2.gz YZFADPHZYZBEED-KGENOOAVSA-N 0 1 449.963 5.085 40 10 IKCBMN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1cccs1 ZINC000409350683 557078480 /nfs/dbraw/zinc/07/84/80/557078480.db2.gz YKFGECKWIPSUAG-PTNGSMBKSA-N 0 1 444.584 5.039 40 10 IKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)NC2=S)c1 ZINC000409244272 557079966 /nfs/dbraw/zinc/07/99/66/557079966.db2.gz AMBBDNLDCUGUAL-KGENOOAVSA-N 0 1 444.556 5.075 40 10 IKCBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)c1cccs1 ZINC000409342076 557120898 /nfs/dbraw/zinc/12/08/98/557120898.db2.gz BINYMTHQNDABMB-MHWRWJLKSA-N 0 1 446.962 5.208 40 10 IKCBMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103918803 557140244 /nfs/dbraw/zinc/14/02/44/557140244.db2.gz JWSRZMGYEUJQRU-UNOMPAQXSA-N 0 1 445.375 6.492 40 10 IKCBMN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103918806 557140437 /nfs/dbraw/zinc/14/04/37/557140437.db2.gz JFJVLOYACQNVBM-UNOMPAQXSA-N 0 1 433.295 5.790 40 10 IKCBMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 ZINC000103918921 557140748 /nfs/dbraw/zinc/14/07/48/557140748.db2.gz PSGULOMJAZFKJD-QNGOZBTKSA-N 0 1 448.548 5.362 40 10 IKCBMN CCc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 ZINC000100161191 557245503 /nfs/dbraw/zinc/24/55/03/557245503.db2.gz NBHFOUJVZWLSCB-ATVHPVEESA-N 0 1 430.455 5.510 40 10 IKCBMN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@@H]2C=CC=C[C@@H]2C3=O)cc1C ZINC000100643756 557267254 /nfs/dbraw/zinc/26/72/54/557267254.db2.gz BPFNGJOREWNVEV-PSWAGMNNSA-N 0 1 448.566 7.145 40 10 IKCBMN CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000059136050 557815626 /nfs/dbraw/zinc/81/56/26/557815626.db2.gz CVXVVYZFBLOYDP-YRNVUSSQSA-N 0 1 439.295 5.203 40 10 IKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000059136414 557815826 /nfs/dbraw/zinc/81/58/26/557815826.db2.gz NJWOTKQJBIDUTG-NBVRZTHBSA-N 0 1 432.476 5.076 40 10 IKCBMN Cc1cccc(COc2ccccc2C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 ZINC000059136425 557815842 /nfs/dbraw/zinc/81/58/42/557815842.db2.gz ZMVJPSGVYZVKCD-XMHGGMMESA-N 0 1 446.503 5.385 40 10 IKCBMN CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C ZINC000059136183 557815879 /nfs/dbraw/zinc/81/58/79/557815879.db2.gz QZVBHDHDWWJUCA-XMHGGMMESA-N 0 1 447.535 5.467 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 ZINC000059137965 557816025 /nfs/dbraw/zinc/81/60/25/557816025.db2.gz UPHXFROWOINFJP-CPNJWEJPSA-N 0 1 448.569 6.028 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137424 557816057 /nfs/dbraw/zinc/81/60/57/557816057.db2.gz WCTMDQBLELGWRV-CIAFOILYSA-N 0 1 447.535 5.522 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000059137957 557816094 /nfs/dbraw/zinc/81/60/94/557816094.db2.gz ABEKBLOMKPYHSN-QGOAFFKASA-N 0 1 434.542 5.719 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 ZINC000059137949 557816143 /nfs/dbraw/zinc/81/61/43/557816143.db2.gz PXWTUKKCOXRCMP-DEDYPNTBSA-N 0 1 448.569 6.028 40 10 IKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223627147 569182361 /nfs/dbraw/zinc/18/23/61/569182361.db2.gz QZCLDNVUXDFDSU-GZTJUZNOSA-N 0 1 443.311 5.085 40 10 IKCBMN Cc1oc2ccc([O-])c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)Nc1ccccc1 ZINC000008717884 569214264 /nfs/dbraw/zinc/21/42/64/569214264.db2.gz LVVQKFFHCMICKI-PPHZAIPVSA-N 0 1 432.564 6.100 40 10 IKCBMN Cc1oc2ccc([O-])c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)Nc1ccccc1 ZINC000008717884 569214265 /nfs/dbraw/zinc/21/42/65/569214265.db2.gz LVVQKFFHCMICKI-PPHZAIPVSA-N 0 1 432.564 6.100 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000034713528 569260037 /nfs/dbraw/zinc/26/00/37/569260037.db2.gz CGXFOPNNJZBIFO-UNOMPAQXSA-N 0 1 439.298 5.034 40 10 IKCBMN O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1cccc2cccnc21 ZINC000008859986 569479869 /nfs/dbraw/zinc/47/98/69/569479869.db2.gz GZEORWVYZZMKSJ-UHFFFAOYSA-N 0 1 442.496 5.267 40 10 IKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c1C ZINC000009323530 132313724 /nfs/dbraw/zinc/31/37/24/132313724.db2.gz ZHUCAFDHLXNOHJ-PDGQHHTCSA-N 0 1 436.920 5.048 40 10 IKCBMN Oc1c2c(c(O)c3ccccc13)[C@H](c1ccccc1)N(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004822482 556013347 /nfs/dbraw/zinc/01/33/47/556013347.db2.gz FPPDSNPJQKKTIP-KMKVIZFGSA-N 0 1 429.519 6.301 40 10 IKCBMN COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)SC2=S)cc1 ZINC000006645117 556099987 /nfs/dbraw/zinc/09/99/87/556099987.db2.gz QLCAOQGFKMCHCL-VIZOYTHASA-N 0 1 426.346 5.109 40 10 IKCBMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1 ZINC000031628986 556524721 /nfs/dbraw/zinc/52/47/21/556524721.db2.gz LJFIQMUDEMGRBP-UHFFFAOYSA-N 0 1 430.375 6.893 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000016487644 556611672 /nfs/dbraw/zinc/61/16/72/556611672.db2.gz UAOZOIQHISAKDT-PXLXIMEGSA-N 0 1 427.504 5.324 40 10 IKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 ZINC000016525764 556614433 /nfs/dbraw/zinc/61/44/33/556614433.db2.gz DLRDONRBKVHLJZ-HMAPJEAMSA-N 0 1 442.927 5.478 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000083309650 556663540 /nfs/dbraw/zinc/66/35/40/556663540.db2.gz LVERMKNQXQIRRX-VXLYETTFSA-N 0 1 437.883 5.151 40 10 IKCBMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000044854962 556671372 /nfs/dbraw/zinc/67/13/72/556671372.db2.gz IDJCCCMYSQLHIC-NHCUHLMSSA-N 0 1 437.603 5.151 40 10 IKCBMN COc1ccc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1Cc1c(C)n[nH]c1C ZINC000019215463 556711909 /nfs/dbraw/zinc/71/19/09/556711909.db2.gz XGCTXEASQRIIEM-VWLOTQADSA-N 0 1 446.620 5.464 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000409128334 556839379 /nfs/dbraw/zinc/83/93/79/556839379.db2.gz ICSKNUNRQLPUIY-HKWRFOASSA-N 0 1 444.581 5.286 40 10 IKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000408849585 556870404 /nfs/dbraw/zinc/87/04/04/556870404.db2.gz XLMUNLNHJWUJBP-UXBLZVDNSA-N 0 1 446.142 5.132 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c(C)c1 ZINC000409145989 556874645 /nfs/dbraw/zinc/87/46/45/556874645.db2.gz SVJMSKIZABRWCE-RCCKNPSSSA-N 0 1 444.581 5.286 40 10 IKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000409014432 556920248 /nfs/dbraw/zinc/92/02/48/556920248.db2.gz PRXJJZUCLRJQOJ-XDHOZWIPSA-N 0 1 436.920 5.048 40 10 IKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2)cc1 ZINC000409232044 557023663 /nfs/dbraw/zinc/02/36/63/557023663.db2.gz NOXAVAKHJOHRPG-RCCKNPSSSA-N 0 1 444.581 5.286 40 10 IKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)cc1 ZINC000409250967 557031276 /nfs/dbraw/zinc/03/12/76/557031276.db2.gz ZAEOVHXJZOSUMK-XMHGGMMESA-N 0 1 448.544 5.117 40 10 IKCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc12 ZINC000409233440 557070634 /nfs/dbraw/zinc/07/06/34/557070634.db2.gz SFGWIBXHBWESSP-PXLXIMEGSA-N 0 1 444.556 5.193 40 10 IKCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C ZINC000409241585 557079812 /nfs/dbraw/zinc/07/98/12/557079812.db2.gz OTAZZQWSDAGWRT-PXLXIMEGSA-N 0 1 443.572 5.049 40 10 IKCBMN O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccccc1 ZINC000408721698 557135614 /nfs/dbraw/zinc/13/56/14/557135614.db2.gz XDYFKLAIPXPASG-NTUHNPAUSA-N 0 1 426.744 5.214 40 10 IKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000408723298 557136782 /nfs/dbraw/zinc/13/67/82/557136782.db2.gz STPKEQVFXJBDHB-VZUCSPMQSA-N 0 1 446.142 5.132 40 10 IKCBMN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000103920921 557141092 /nfs/dbraw/zinc/14/10/92/557141092.db2.gz XWZHDNSXAFZPDA-STZFKDTASA-N 0 1 440.305 6.270 40 10 IKCBMN Oc1c2c(c(O)c3ccccc13)[C@H](c1ccccc1)N(c1ccccc1)[C@@H]2c1ccccc1 ZINC000103952320 557318876 /nfs/dbraw/zinc/31/88/76/557318876.db2.gz FPPDSNPJQKKTIP-LAJGZZDBSA-N 0 1 429.519 6.301 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C1CCCCC1 ZINC000059135871 557815503 /nfs/dbraw/zinc/81/55/03/557815503.db2.gz NEAFRQBASQASOB-QGOAFFKASA-N 0 1 425.529 5.421 40 10 IKCBMN Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)c1 ZINC000059135879 557815620 /nfs/dbraw/zinc/81/56/20/557815620.db2.gz LEEQMLSZUNNWNP-XSFVSMFZSA-N 0 1 446.503 5.385 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000059137823 557816065 /nfs/dbraw/zinc/81/60/65/557816065.db2.gz CIINUQYVBOVRFU-CPNJWEJPSA-N 0 1 434.542 5.719 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059109534 557820458 /nfs/dbraw/zinc/82/04/58/557820458.db2.gz DJWJJAQOOFDWTH-CPNJWEJPSA-N 0 1 439.943 5.691 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000059109523 557820465 /nfs/dbraw/zinc/82/04/65/557820465.db2.gz HHGWBBUUHHIPMW-KGENOOAVSA-N 0 1 445.494 5.464 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000059109548 557820613 /nfs/dbraw/zinc/82/06/13/557820613.db2.gz FWXXBAQLWRJSTH-LFVJCYFKSA-N 0 1 441.531 5.882 40 10 IKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000230817623 569185501 /nfs/dbraw/zinc/18/55/01/569185501.db2.gz WDKDTZPQNQPLJA-GZTJUZNOSA-N 0 1 443.311 5.085 40 10 IKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000034878475 569260018 /nfs/dbraw/zinc/26/00/18/569260018.db2.gz NPRJIXAZFASGEL-KQWNVCNZSA-N 0 1 438.458 5.019 40 10 IKCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000035400649 569260243 /nfs/dbraw/zinc/26/02/43/569260243.db2.gz RTJAIDIQSXTJFJ-GZTJUZNOSA-N 0 1 443.931 5.059 40 10 IKCBMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000044854963 569260337 /nfs/dbraw/zinc/26/03/37/569260337.db2.gz IDJCCCMYSQLHIC-LEWJYISDSA-N 0 1 437.603 5.151 40 10 IKCBMN C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577645 569281276 /nfs/dbraw/zinc/28/12/76/569281276.db2.gz IDJCCCMYSQLHIC-SFTDATJTSA-N 0 1 437.603 5.151 40 10 IKCBMN Oc1c2c(c(O)c3ccccc13)[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000004822483 556013401 /nfs/dbraw/zinc/01/34/01/556013401.db2.gz FPPDSNPJQKKTIP-PUHABZHSSA-N 0 1 429.519 6.301 40 10 IKCBMN Cc1ccccc1N=Nc1ccc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(C)c1 ZINC000005464851 556055588 /nfs/dbraw/zinc/05/55/88/556055588.db2.gz CGFQDCNEANTKJL-DUJDKOHPSA-N 0 1 438.535 7.450 40 10 IKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C ZINC000409134489 556848083 /nfs/dbraw/zinc/84/80/83/556848083.db2.gz UDDFNHGEDIXTPB-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)NC2=S)c(C)c1 ZINC000409149235 556876133 /nfs/dbraw/zinc/87/61/33/556876133.db2.gz ZMDJCMUORXDYRX-KGENOOAVSA-N 0 1 444.556 5.075 40 10 IKCBMN C=C1N=C(SCc2ccccc2Cl)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408985382 556908987 /nfs/dbraw/zinc/90/89/87/556908987.db2.gz ARUVEZJIRIXDFL-OAQYLSRUSA-N 0 1 444.000 5.177 40 10 IKCBMN C=C1N=C(SCc2ccccc2Cl)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408985378 556909005 /nfs/dbraw/zinc/90/90/05/556909005.db2.gz ARUVEZJIRIXDFL-NRFANRHFSA-N 0 1 444.000 5.177 40 10 IKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409019666 556924094 /nfs/dbraw/zinc/92/40/94/556924094.db2.gz KCPJCWAZAYVNCZ-HMHNVIDESA-N 0 1 449.359 5.002 40 10 IKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409161296 556975752 /nfs/dbraw/zinc/97/57/52/556975752.db2.gz MRDUJLJKKIYDSJ-RVDMUPIBSA-N 0 1 433.291 5.048 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000409237770 557019526 /nfs/dbraw/zinc/01/95/26/557019526.db2.gz LQDDXISJQHTKFT-HZHRSRAPSA-N 0 1 449.620 5.565 40 10 IKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 ZINC000409231890 557023604 /nfs/dbraw/zinc/02/36/04/557023604.db2.gz LOWSATSSMOFSAM-DEDYPNTBSA-N 0 1 434.492 5.040 40 10 IKCBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408526403 557030637 /nfs/dbraw/zinc/03/06/37/557030637.db2.gz BFYBSIPBTIUQRS-ZROIWOOFSA-N 0 1 449.692 5.038 40 10 IKCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408526403 557030639 /nfs/dbraw/zinc/03/06/39/557030639.db2.gz BFYBSIPBTIUQRS-ZROIWOOFSA-N 0 1 449.692 5.038 40 10 IKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000409253496 557037770 /nfs/dbraw/zinc/03/77/70/557037770.db2.gz VCWDJHDLZXXCMR-LDADJPATSA-N 0 1 436.920 5.048 40 10 IKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c1 ZINC000409222245 557044259 /nfs/dbraw/zinc/04/42/59/557044259.db2.gz WIUMHUQMSXISAQ-HKWRFOASSA-N 0 1 444.581 5.286 40 10 IKCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C(C)C ZINC000409226309 557050893 /nfs/dbraw/zinc/05/08/93/557050893.db2.gz MVCQDKDHHHEFDW-SFQUDFHCSA-N 0 1 442.968 5.002 40 10 IKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c1 ZINC000409233854 557077271 /nfs/dbraw/zinc/07/72/71/557077271.db2.gz IBFFWWLKXFMEEL-RCCKNPSSSA-N 0 1 444.581 5.286 40 10 IKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408739324 557147348 /nfs/dbraw/zinc/14/73/48/557147348.db2.gz BDKZDWWUKSQBAU-UDWIEESQSA-N 0 1 441.984 5.095 40 10 IKCBMN CC(Nc1ccccc1Sc1ccccc1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112296361 557239627 /nfs/dbraw/zinc/23/96/27/557239627.db2.gz HKYIMPQHDRXWOZ-KQWNVCNZSA-N 0 1 444.516 5.855 40 10 IKCBMN Cc1ccccc1N=Nc1ccc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(C)c1 ZINC000104226075 557322500 /nfs/dbraw/zinc/32/25/00/557322500.db2.gz CGFQDCNEANTKJL-GILIAAGRSA-N 0 1 438.535 7.450 40 10 IKCBMN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000013575911 557348713 /nfs/dbraw/zinc/34/87/13/557348713.db2.gz XVHFAOZYWBEXLB-STZFKDTASA-N 0 1 442.906 5.499 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033934896 557810451 /nfs/dbraw/zinc/81/04/51/557810451.db2.gz LFYSEAFGWKRWNP-FYJGNVAPSA-N 0 1 433.895 5.250 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C ZINC000059135927 557815592 /nfs/dbraw/zinc/81/55/92/557815592.db2.gz LFXHFSDIRXGSMO-QGOAFFKASA-N 0 1 433.508 5.213 40 10 IKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000059135930 557815615 /nfs/dbraw/zinc/81/56/15/557815615.db2.gz UYXVTXOUTSBZBO-CPNJWEJPSA-N 0 1 447.535 5.522 40 10 IKCBMN CCc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)NC1=S ZINC000059137971 557816052 /nfs/dbraw/zinc/81/60/52/557816052.db2.gz OUBXFHYSAMYCPF-XMHGGMMESA-N 0 1 448.569 5.973 40 10 IKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000059137967 557816098 /nfs/dbraw/zinc/81/60/98/557816098.db2.gz IIOQXYOBFNZNLF-DEDYPNTBSA-N 0 1 448.569 6.028 40 10 IKCBMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000059953698 557827820 /nfs/dbraw/zinc/82/78/20/557827820.db2.gz ZJQJKUKAWMCKSO-UKTHLTGXSA-N 0 1 430.316 5.455 40 10 IKCBMN