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([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 ZINC000006136519 193880994 /nfs/dbraw/zinc/88/09/94/193880994.db2.gz HZYMXLLRPKVOHI-BXTJHSDWSA-N 0 0 433.289 5.135 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1 ZINC000223342899 193968738 /nfs/dbraw/zinc/96/87/38/193968738.db2.gz CDLNDWHECDNLQC-RPWUZVMVSA-N 0 0 428.561 5.255 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000223345321 193969317 /nfs/dbraw/zinc/96/93/17/193969317.db2.gz POZBHOAIFYTJPA-ZEQRLZLVSA-N 0 0 446.551 5.394 40 10 IKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCc2ccccc21 ZINC000008820508 132295033 /nfs/dbraw/zinc/29/50/33/132295033.db2.gz LSUFPSHVNVFWMP-CNYFCZIJSA-N 0 0 448.613 5.204 40 10 IKCBRN O=[N+]([O-])c1ccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000008935291 132298481 /nfs/dbraw/zinc/29/84/81/132298481.db2.gz VUGPWWVPSRHYQI-WPUDHWPRSA-N 0 0 449.348 6.252 40 10 IKCBRN O=[N+]([O-])c1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000008935289 132298507 /nfs/dbraw/zinc/29/85/07/132298507.db2.gz VUGPWWVPSRHYQI-UKFDBNNRSA-N 0 0 449.348 6.252 40 10 IKCBRN CC(C)c1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000009189245 132307766 /nfs/dbraw/zinc/30/77/66/132307766.db2.gz CBJSAZRLLQKPFE-STZFKDTASA-N 0 0 425.985 5.256 40 10 IKCBRN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000009461180 132318078 /nfs/dbraw/zinc/31/80/78/132318078.db2.gz LTANIYNVENJTCN-NEMUNFNQSA-N 0 0 446.388 6.546 40 10 IKCBRN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1 ZINC000041082925 519631914 /nfs/dbraw/zinc/63/19/14/519631914.db2.gz GYJBXWYCAMLLBO-BWFWVIOXSA-N 0 0 446.363 5.449 40 10 IKCBRN CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000012601375 519837040 /nfs/dbraw/zinc/83/70/40/519837040.db2.gz ADPLBOAWGFPFTI-ZQHSETAFSA-N 0 0 444.535 6.087 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000041083385 519894572 /nfs/dbraw/zinc/89/45/72/519894572.db2.gz IGISWWKTORIPLQ-RSRMSENYSA-N 0 0 439.972 5.475 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3c4ccccc4cc4ccccc43)C2=N)S1 ZINC000041083127 519946977 /nfs/dbraw/zinc/94/69/77/519946977.db2.gz DKZHREVAZOAMGZ-VHDUERLVSA-N 0 0 426.545 6.192 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000041083086 519947167 /nfs/dbraw/zinc/94/71/67/519947167.db2.gz DLANFKPVQJKAFJ-QNPCYTEQSA-N 0 0 447.608 5.910 40 10 IKCBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 ZINC000021005541 520542504 /nfs/dbraw/zinc/54/25/04/520542504.db2.gz VCRYBPNGMMCRML-VWLOTQADSA-N 0 0 438.531 5.092 40 10 IKCBRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1 ZINC000020797494 520802801 /nfs/dbraw/zinc/80/28/01/520802801.db2.gz ZFCRPRQPBJUIBE-JOCHJYFZSA-N 0 0 430.895 5.323 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 ZINC000016678571 520877729 /nfs/dbraw/zinc/87/77/29/520877729.db2.gz CPILNXOFNWWXAR-UHFFFAOYSA-N 0 0 449.938 6.012 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)cc1 ZINC000016678568 520878153 /nfs/dbraw/zinc/87/81/53/520878153.db2.gz WRLXIEWSTFYNRR-UHFFFAOYSA-N 0 0 429.520 5.667 40 10 IKCBRN COC1=CC(=NNc2ccccc2)C(OC)=CC1=NN=C1C(=O)Nc2ccccc2C1=O ZINC000018169477 522015261 /nfs/dbraw/zinc/01/52/61/522015261.db2.gz DHQPPOYLOLLOCW-COGCMUBNSA-N 0 0 429.436 6.082 40 10 IKCBRN COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000012418799 522962375 /nfs/dbraw/zinc/96/23/75/522962375.db2.gz MUDMZZZWAQDKBZ-HNYWDRBLSA-N 0 0 440.754 6.499 40 10 IKCBRN COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000012418796 522962567 /nfs/dbraw/zinc/96/25/67/522962567.db2.gz MUDMZZZWAQDKBZ-SYTFOFBDSA-N 0 0 440.754 6.499 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000034139187 523409867 /nfs/dbraw/zinc/40/98/67/523409867.db2.gz KJVSCZMWXCHJHZ-KGENOOAVSA-N 0 0 432.907 5.500 40 10 IKCBRN CN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S ZINC000012381734 523674984 /nfs/dbraw/zinc/67/49/84/523674984.db2.gz WQYFDJGKNVTQBF-PGMHBOJBSA-N 0 0 441.618 5.663 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 ZINC000012420476 523871640 /nfs/dbraw/zinc/87/16/40/523871640.db2.gz ARXVWLDFZFFXQQ-XSFVSMFZSA-N 0 0 429.428 5.164 40 10 IKCBRN COc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)cc2C)cc1 ZINC000016807687 525076519 /nfs/dbraw/zinc/07/65/19/525076519.db2.gz OAAFBTRGXMBWAF-UHFFFAOYSA-N 0 0 436.533 5.071 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020491205 526682279 /nfs/dbraw/zinc/68/22/79/526682279.db2.gz RYCBJMGEYBRZRH-UHFFFAOYSA-N 0 0 425.576 5.170 40 10 IKCBRN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012654929 526913983 /nfs/dbraw/zinc/91/39/83/526913983.db2.gz PZXFCDIENYHFDA-BYYHNAKLSA-N 0 0 443.381 5.796 40 10 IKCBRN CCCCCCOc1ccc(Cl)cc1C=C1SC(Nc2ccc(C)cc2)=NC1=O ZINC000034688390 555506838 /nfs/dbraw/zinc/50/68/38/555506838.db2.gz DYENCSQXADZPLW-RCCKNPSSSA-N 0 0 428.985 6.690 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 ZINC000001157607 555659871 /nfs/dbraw/zinc/65/98/71/555659871.db2.gz KGMAWZXJYABZRY-FYJGNVAPSA-N 0 0 433.489 5.239 40 10 IKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1 ZINC000001182814 555672470 /nfs/dbraw/zinc/67/24/70/555672470.db2.gz NUFLEIWYRZPIQN-SFQUDFHCSA-N 0 0 434.945 5.099 40 10 IKCBRN Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001669956 555708937 /nfs/dbraw/zinc/70/89/37/555708937.db2.gz AMTWUDMKCXRHLJ-MSTPFNHUSA-N 0 0 449.984 6.745 40 10 IKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)c1ccccc1 ZINC000408527171 555716959 /nfs/dbraw/zinc/71/69/59/555716959.db2.gz CXAZRVMNUDJUGN-UQQQWYQISA-N 0 0 439.559 5.191 40 10 IKCBRN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000001865345 555721525 /nfs/dbraw/zinc/72/15/25/555721525.db2.gz WMMQGHLXLYYTOX-MOSHPQCFSA-N 0 0 435.957 6.437 40 10 IKCBRN COc1cc(N2N=C(C)C(=CNc3cc(C)c(Br)cc3C)C2=O)ccc1Cl ZINC000408528205 555725080 /nfs/dbraw/zinc/72/50/80/555725080.db2.gz FOOFXUYQNSKEAM-GDNBJRDFSA-N 0 0 448.748 5.446 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000035110796 555777150 /nfs/dbraw/zinc/77/71/50/555777150.db2.gz UVVUFTMPYADRAA-RGEXLXHISA-N 0 0 437.417 5.736 40 10 IKCBRN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000034745426 555897209 /nfs/dbraw/zinc/89/72/09/555897209.db2.gz HMZIREAXIRDXHK-KBOJLBFHSA-N 0 0 437.544 5.289 40 10 IKCBRN C[C@@H]1CC[C@](C)(COC(=O)c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)C1(C)C ZINC000003846126 555948094 /nfs/dbraw/zinc/94/80/94/555948094.db2.gz RXKGVUCNZGYOMG-FBSFTURXSA-N 0 0 430.548 7.580 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000408601988 555970947 /nfs/dbraw/zinc/97/09/47/555970947.db2.gz MSNOJZJSNMAUMQ-ZDLGFXPLSA-N 0 0 433.888 6.284 40 10 IKCBRN [O-]c1c(Cl)cc(Cl)cc1[C@@H]1N2CCCC[C@@H]2[C@@H]2c3cccn3-c3ccccc3N21 ZINC000005390261 556049519 /nfs/dbraw/zinc/04/95/19/556049519.db2.gz BOKCTHBMFIEXGP-FUPPJEDESA-N 0 0 426.347 5.918 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000035646279 556204369 /nfs/dbraw/zinc/20/43/69/556204369.db2.gz HCSVOGICNPNFHN-ODLFYWEKSA-N 0 0 429.328 6.644 40 10 IKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2ccccc2c1 ZINC000008765638 556212301 /nfs/dbraw/zinc/21/23/01/556212301.db2.gz BOUTZAOPCGCCIJ-ZHZULCJRSA-N 0 0 436.533 5.209 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008780895 556214662 /nfs/dbraw/zinc/21/46/62/556214662.db2.gz LNZNGTZSGXLGGJ-BKUYFWCQSA-N 0 0 437.326 6.379 40 10 IKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc3ccccc32)C1=O ZINC000008819319 556219010 /nfs/dbraw/zinc/21/90/10/556219010.db2.gz DIAWQGUSQFAGLX-QNGOZBTKSA-N 0 0 448.569 5.078 40 10 IKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000008819676 556219536 /nfs/dbraw/zinc/21/95/36/556219536.db2.gz DTNXSMLCRAPCRX-CYVLTUHYSA-N 0 0 445.009 5.740 40 10 IKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccnc1 ZINC000008820172 556220105 /nfs/dbraw/zinc/22/01/05/556220105.db2.gz GTINFNZBEWPEDE-AQTBWJFISA-N 0 0 445.997 5.135 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000008820620 556220799 /nfs/dbraw/zinc/22/07/99/556220799.db2.gz XSMPCEYQIGIZHG-RZTVDGLLSA-N 0 0 428.966 5.126 40 10 IKCBRN CCc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S ZINC000008821306 556222448 /nfs/dbraw/zinc/22/24/48/556222448.db2.gz SEHSZAIQQVFUPR-JLPGSUDCSA-N 0 0 445.609 6.542 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821396 556222475 /nfs/dbraw/zinc/22/24/75/556222475.db2.gz YUSGNLQACFFBJF-UNOMPAQXSA-N 0 0 448.009 5.927 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1 ZINC000008821265 556222485 /nfs/dbraw/zinc/22/24/85/556222485.db2.gz FTYGQSIHIZMQOJ-JLPGSUDCSA-N 0 0 445.609 6.542 40 10 IKCBRN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S ZINC000008821344 556222496 /nfs/dbraw/zinc/22/24/96/556222496.db2.gz FLSFKGFGYOYHFX-JLPGSUDCSA-N 0 0 445.609 6.542 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000008821404 556222497 /nfs/dbraw/zinc/22/24/97/556222497.db2.gz AZGHAAZCNLSQCJ-DEDYPNTBSA-N 0 0 425.962 6.568 40 10 IKCBRN CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008821403 556222515 /nfs/dbraw/zinc/22/25/15/556222515.db2.gz MBEFVWJJJGVNOD-DEDYPNTBSA-N 0 0 425.962 6.568 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000008821482 556222778 /nfs/dbraw/zinc/22/27/78/556222778.db2.gz CKRUBGLCNJHYKF-DEDYPNTBSA-N 0 0 436.514 5.823 40 10 IKCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000008821808 556223628 /nfs/dbraw/zinc/22/36/28/556223628.db2.gz KLZRSWNMCAQLGX-UDWIEESQSA-N 0 0 437.908 5.641 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000008821740 556223635 /nfs/dbraw/zinc/22/36/35/556223635.db2.gz WJGNPLMHIUZGTK-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN Cn1c(C=C2SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)nc2ccccc21 ZINC000008869985 556228638 /nfs/dbraw/zinc/22/86/38/556228638.db2.gz AEPMSPOPFFSMKS-OQLLNIDSSA-N 0 0 436.846 5.328 40 10 IKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)N(c2cccc3ccccc32)N=C1C ZINC000408757261 556236830 /nfs/dbraw/zinc/23/68/30/556236830.db2.gz LNABCDGKMQNZKS-XYGWBWBKSA-N 0 0 434.543 6.065 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(C(C)(C)C)c1O ZINC000009188336 556250802 /nfs/dbraw/zinc/25/08/02/556250802.db2.gz FYMLIGKJKIKJGW-BRYHAGSVSA-N 0 0 433.639 5.367 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000009188376 556251175 /nfs/dbraw/zinc/25/11/75/556251175.db2.gz PBLTUIMKUAAHHN-XKZIYDEJSA-N 0 0 431.538 5.484 40 10 IKCBRN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188542 556251342 /nfs/dbraw/zinc/25/13/42/556251342.db2.gz FBIYBZHTVKHBNQ-AUWJEWJLSA-N 0 0 435.184 6.706 40 10 IKCBRN COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009188884 556252005 /nfs/dbraw/zinc/25/20/05/556252005.db2.gz HEKBVXWUYXFLBY-PVFDWLMNSA-N 0 0 436.577 5.285 40 10 IKCBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000009188787 556252042 /nfs/dbraw/zinc/25/20/42/556252042.db2.gz WVQRXHTYECPZOG-ZHZULCJRSA-N 0 0 434.498 5.793 40 10 IKCBRN COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009188885 556252062 /nfs/dbraw/zinc/25/20/62/556252062.db2.gz HEKBVXWUYXFLBY-NLKUQUHMSA-N 0 0 436.577 5.285 40 10 IKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000009236622 556264076 /nfs/dbraw/zinc/26/40/76/556264076.db2.gz RRJUOOZQTBBOFY-LICLKQGHSA-N 0 0 434.380 5.168 40 10 IKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 ZINC000036080681 556271693 /nfs/dbraw/zinc/27/16/93/556271693.db2.gz WMKBBKPXQQABBL-XHWIWGEHSA-N 0 0 445.562 7.448 40 10 IKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 ZINC000036080675 556271713 /nfs/dbraw/zinc/27/17/13/556271713.db2.gz YQKNMTOIXPQRGD-DXBVXKBHSA-N 0 0 429.947 6.948 40 10 IKCBRN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000009444576 556292071 /nfs/dbraw/zinc/29/20/71/556292071.db2.gz DQAPJOAKCOISGB-QGOAFFKASA-N 0 0 430.982 5.132 40 10 IKCBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(C)c1 ZINC000009444573 556292075 /nfs/dbraw/zinc/29/20/75/556292075.db2.gz JNWQBMKIMRUQJS-LDADJPATSA-N 0 0 430.982 5.187 40 10 IKCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1C ZINC000009444634 556292552 /nfs/dbraw/zinc/29/25/52/556292552.db2.gz FOBLOSWRZFZCME-CPNJWEJPSA-N 0 0 445.009 5.577 40 10 IKCBRN CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408866079 556458111 /nfs/dbraw/zinc/45/81/11/556458111.db2.gz GGNCCJUUYUZBDD-BKUYFWCQSA-N 0 0 444.984 5.821 40 10 IKCBRN CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000015013588 556484521 /nfs/dbraw/zinc/48/45/21/556484521.db2.gz DPRJKVIDTCXOQW-OEAKJJBVSA-N 0 0 434.536 6.032 40 10 IKCBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901003 556488522 /nfs/dbraw/zinc/48/85/22/556488522.db2.gz BLUQCRHYARCAIB-HTMJNSLASA-N 0 0 433.982 5.932 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000408901245 556488886 /nfs/dbraw/zinc/48/88/86/556488886.db2.gz CNORSFATMUWGRJ-HZHRSRAPSA-N 0 0 432.614 6.623 40 10 IKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000408902940 556490251 /nfs/dbraw/zinc/49/02/51/556490251.db2.gz SMUPSOUVXRJDGV-UDWIEESQSA-N 0 0 436.514 5.877 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(Br)c1 ZINC000408902673 556490310 /nfs/dbraw/zinc/49/03/10/556490310.db2.gz PQHURPUXCYMGPN-LPYMAVHISA-N 0 0 434.337 5.663 40 10 IKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1Cl ZINC000408903483 556491381 /nfs/dbraw/zinc/49/13/81/556491381.db2.gz YLZBNTDYFWSIJG-LPYMAVHISA-N 0 0 447.922 5.340 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408757527 556518607 /nfs/dbraw/zinc/51/86/07/556518607.db2.gz ZGGWFEPZUSTVEV-CJLVFECKSA-N 0 0 446.348 5.350 40 10 IKCBRN CC(C)(C)c1cc([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000031771973 556526223 /nfs/dbraw/zinc/52/62/23/556526223.db2.gz FAKVDARGWOYRLZ-HSZRJFAPSA-N 0 0 425.569 5.138 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408934569 556527513 /nfs/dbraw/zinc/52/75/13/556527513.db2.gz LXFITGLRFLGFPF-QRVIBDJDSA-N 0 0 433.939 5.457 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Cl)c1 ZINC000408942972 556542519 /nfs/dbraw/zinc/54/25/19/556542519.db2.gz RKCMRMJEAOZGPE-OEAKJJBVSA-N 0 0 430.935 6.342 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000408961048 556564069 /nfs/dbraw/zinc/56/40/69/556564069.db2.gz QJFJUVILAMBBTG-UCQKPKSFSA-N 0 0 431.511 5.197 40 10 IKCBRN O=C1/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1 ZINC000408965196 556573731 /nfs/dbraw/zinc/57/37/31/556573731.db2.gz UMBVHWVOXHVQDF-QGOAFFKASA-N 0 0 430.476 5.902 40 10 IKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000016160851 556586081 /nfs/dbraw/zinc/58/60/81/556586081.db2.gz QUGYRPPYGRMRKN-YFHOEESVSA-N 0 0 434.537 6.760 40 10 IKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000016216728 556592183 /nfs/dbraw/zinc/59/21/83/556592183.db2.gz BDQMDWBZFXAXLV-HAHDFKILSA-N 0 0 447.581 5.676 40 10 IKCBRN Cc1cc(Br)c2c(c1NC(=O)Nc1ccccc1)C(=O)c1ccccc1C2=O ZINC000016268838 556596066 /nfs/dbraw/zinc/59/60/66/556596066.db2.gz KTUDFQHRNPNLGW-UHFFFAOYSA-N 0 0 435.277 5.177 40 10 IKCBRN CCCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)ccc1OCC ZINC000408975534 556615853 /nfs/dbraw/zinc/61/58/53/556615853.db2.gz MRFKWBNHHQKAJK-JWGURIENSA-N 0 0 449.547 5.450 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 ZINC000016678585 556623205 /nfs/dbraw/zinc/62/32/05/556623205.db2.gz RIHCDKNDTJVAME-UHFFFAOYSA-N 0 0 425.488 6.340 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)cc1 ZINC000016678577 556623214 /nfs/dbraw/zinc/62/32/14/556623214.db2.gz LRNQVOYSQKPUFB-UHFFFAOYSA-N 0 0 445.519 5.611 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)cc1 ZINC000016678558 556623230 /nfs/dbraw/zinc/62/32/30/556623230.db2.gz PNQBTJXGUYJMPL-UHFFFAOYSA-N 0 0 429.520 5.667 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1 ZINC000016678597 556623467 /nfs/dbraw/zinc/62/34/67/556623467.db2.gz FPSAGDOPWZZOCH-UHFFFAOYSA-N 0 0 443.547 6.381 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 ZINC000016678610 556623484 /nfs/dbraw/zinc/62/34/84/556623484.db2.gz KNALUXAMLSLYMN-UHFFFAOYSA-N 0 0 444.491 5.810 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1C ZINC000016713249 556630476 /nfs/dbraw/zinc/63/04/76/556630476.db2.gz IHXKDDVBYHLPBA-HZHRSRAPSA-N 0 0 427.460 5.288 40 10 IKCBRN Cc1c2ccc([O-])c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc(=O)c1Cc1ccccc1 ZINC000079188400 556633874 /nfs/dbraw/zinc/63/38/74/556633874.db2.gz HEEJZIZZTPCGPK-MMTVBGGISA-N 0 0 431.576 5.798 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)c(Cl)cc1OCc1ccccc1 ZINC000013915353 556661742 /nfs/dbraw/zinc/66/17/42/556661742.db2.gz HRWICLZJCHROAC-JAIQZWGSSA-N 0 0 445.993 5.681 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3)C2=O)cc1 ZINC000408983416 556666539 /nfs/dbraw/zinc/66/65/39/556666539.db2.gz BOXMSIHCNKKYGF-CJLVFECKSA-N 0 0 425.484 5.343 40 10 IKCBRN CCOc1ccccc1/N=N/c1c(-c2ccccc2)nn(C(=S)S)c1-c1ccccc1 ZINC000017139993 556669757 /nfs/dbraw/zinc/66/97/57/556669757.db2.gz AJHIZQHMDVPZGD-OCEACIFDSA-N 0 0 444.585 7.094 40 10 IKCBRN Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1Cl ZINC000017194790 556672667 /nfs/dbraw/zinc/67/26/67/556672667.db2.gz JJTCLHXKNKKSLE-OCOZRVBESA-N 0 0 430.295 5.891 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(F)c(Cl)c1 ZINC000408984668 556686084 /nfs/dbraw/zinc/68/60/84/556686084.db2.gz JBCAGRVWRKLQDQ-MHWRWJLKSA-N 0 0 444.720 7.257 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408759671 556686962 /nfs/dbraw/zinc/68/69/62/556686962.db2.gz JHORJTKOIHFYOA-FYJGNVAPSA-N 0 0 436.870 5.331 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)cc1 ZINC000408759723 556687014 /nfs/dbraw/zinc/68/70/14/556687014.db2.gz KIKAZRXKRXOVNK-CIAFOILYSA-N 0 0 441.289 5.976 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000408760369 556687243 /nfs/dbraw/zinc/68/72/43/556687243.db2.gz XMYVZBKHGXJHKG-DEDYPNTBSA-N 0 0 437.724 5.937 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)c1 ZINC000408760497 556687302 /nfs/dbraw/zinc/68/73/02/556687302.db2.gz ZRRPFKXKBJHUOT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000408985580 556687334 /nfs/dbraw/zinc/68/73/34/556687334.db2.gz NCUMAWJOYUSPFC-HAVVHWLPSA-N 0 0 443.974 7.333 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408761081 556687475 /nfs/dbraw/zinc/68/74/75/556687475.db2.gz HLRAWDRONXGJFB-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)c1 ZINC000408761106 556687479 /nfs/dbraw/zinc/68/74/79/556687479.db2.gz HVYOUPRDVOZLDT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408985898 556687704 /nfs/dbraw/zinc/68/77/04/556687704.db2.gz NVYHATLSWJTKGG-HMMYKYKNSA-N 0 0 431.919 6.219 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408761461 556687820 /nfs/dbraw/zinc/68/78/20/556687820.db2.gz FPYSQOVQIBGQOY-JJIBRWJFSA-N 0 0 445.950 5.639 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408760915 556687873 /nfs/dbraw/zinc/68/78/73/556687873.db2.gz AWVBTNCJQYVKKF-UYRXBGFRSA-N 0 0 436.338 6.782 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)cc1O ZINC000408987061 556688976 /nfs/dbraw/zinc/68/89/76/556688976.db2.gz VFUNWYGVTIHXHZ-MHWRWJLKSA-N 0 0 442.729 6.824 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408987795 556693228 /nfs/dbraw/zinc/69/32/28/556693228.db2.gz YGYYDOGIRMKRQX-SFQUDFHCSA-N 0 0 426.730 7.118 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000408987815 556693257 /nfs/dbraw/zinc/69/32/57/556693257.db2.gz YRWIJSRWOHNFRT-OQKWZONESA-N 0 0 425.484 5.343 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000408987834 556693274 /nfs/dbraw/zinc/69/32/74/556693274.db2.gz YWENNIRPMUORQG-HEHNFIMWSA-N 0 0 444.962 6.276 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1Cl ZINC000408987842 556693294 /nfs/dbraw/zinc/69/32/94/556693294.db2.gz ZAYCJGRMDWFEEB-SFQUDFHCSA-N 0 0 426.730 7.118 40 10 IKCBRN CCCN(CCC)C1=NC(=C2C=CC(=O)C=C2)C(=NNc2ccc([N+](=O)[O-])cc2)S1 ZINC000019074580 556694806 /nfs/dbraw/zinc/69/48/06/556694806.db2.gz BFWUHIHESOBGRU-WCWDXBQESA-N 0 0 425.514 6.466 40 10 IKCBRN Cc1ccccc1NC(=O)C1=Cc2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000299888462 556708130 /nfs/dbraw/zinc/70/81/30/556708130.db2.gz KDLDNQQRGJAGIS-UHFFFAOYSA-N 0 0 440.459 6.738 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408999773 556710739 /nfs/dbraw/zinc/71/07/39/556710739.db2.gz SJIHBCIVRBJUEI-PXLXIMEGSA-N 0 0 437.326 6.227 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409012231 556715648 /nfs/dbraw/zinc/71/56/48/556715648.db2.gz JYVNBGNAZDLPSM-NPQOUYBPSA-N 0 0 442.968 5.081 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409015844 556719300 /nfs/dbraw/zinc/71/93/00/556719300.db2.gz BXEDXLGNOZYCQU-JLPGSUDCSA-N 0 0 440.543 5.588 40 10 IKCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000033888620 556719864 /nfs/dbraw/zinc/71/98/64/556719864.db2.gz PRNVMSTUIGPWKK-MQIWZSEOSA-N 0 0 437.594 5.041 40 10 IKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)cc1 ZINC000409020523 556723415 /nfs/dbraw/zinc/72/34/15/556723415.db2.gz QEWBVLMTQITNKV-GNUZOCDUSA-N 0 0 426.538 5.106 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N(c2ccccc2)C1=S ZINC000409023222 556724305 /nfs/dbraw/zinc/72/43/05/556724305.db2.gz YPUDZJNUNWVGEQ-HMMYKYKNSA-N 0 0 434.492 5.039 40 10 IKCBRN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2cccnc2)CCCCC3)c1 ZINC000000920929 556750129 /nfs/dbraw/zinc/75/01/29/556750129.db2.gz ZWHNFCCLXDJLEJ-UHFFFAOYSA-N 0 0 437.565 5.294 40 10 IKCBRN CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC000000924779 556752342 /nfs/dbraw/zinc/75/23/42/556752342.db2.gz PCLQMCNQCDCPNA-UHFFFAOYSA-N 0 0 435.524 5.624 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409058279 556755942 /nfs/dbraw/zinc/75/59/42/556755942.db2.gz MABYHHSGRKJJBC-JLPGSUDCSA-N 0 0 440.543 5.588 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409058379 556756015 /nfs/dbraw/zinc/75/60/15/556756015.db2.gz OEEZAPAXQVGOAP-IWIPYMOSSA-N 0 0 444.506 5.419 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409053320 556757543 /nfs/dbraw/zinc/75/75/43/556757543.db2.gz BVXNVASJSKMSCU-IWIPYMOSSA-N 0 0 445.609 6.284 40 10 IKCBRN COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000409055733 556758677 /nfs/dbraw/zinc/75/86/77/556758677.db2.gz POJGRPXFKGBNCC-YVLHZVERSA-N 0 0 434.380 5.168 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409060375 556768322 /nfs/dbraw/zinc/76/83/22/556768322.db2.gz RICADZAXFSZJNF-KQWNVCNZSA-N 0 0 426.516 5.280 40 10 IKCBRN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C)c3C)n2Cc2ccco2)cc1 ZINC000001328799 556773886 /nfs/dbraw/zinc/77/38/86/556773886.db2.gz CEXACTBZHXNJBF-UHFFFAOYSA-N 0 0 447.560 5.548 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409074967 556776592 /nfs/dbraw/zinc/77/65/92/556776592.db2.gz VVQJMBVJFFDNMK-UFFVCSGVSA-N 0 0 441.865 5.119 40 10 IKCBRN CCN(CC)C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1 ZINC000001339991 556777829 /nfs/dbraw/zinc/77/78/29/556777829.db2.gz KHMATBHUKHEJFF-UHFFFAOYSA-N 0 0 432.033 6.055 40 10 IKCBRN CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2c(OCC)cccc12 ZINC000409076316 556779582 /nfs/dbraw/zinc/77/95/82/556779582.db2.gz AMKNFSDDLGNZHT-SMEDBKPVSA-N 0 0 443.590 5.017 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1 ZINC000409089505 556792180 /nfs/dbraw/zinc/79/21/80/556792180.db2.gz JJMBHALVFHWUJQ-PLRJNAJWSA-N 0 0 448.497 6.239 40 10 IKCBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2c1 ZINC000409092146 556793084 /nfs/dbraw/zinc/79/30/84/556793084.db2.gz 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CCOc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 ZINC000006600770 556837987 /nfs/dbraw/zinc/83/79/87/556837987.db2.gz BWYOCCPQYZRXGD-JCMHNJIXSA-N 0 0 428.484 5.654 40 10 IKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 ZINC000006924696 556840741 /nfs/dbraw/zinc/84/07/41/556840741.db2.gz FEUCSBFVUCVNQY-YBFXNURJSA-N 0 0 445.487 6.273 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)SC1=S ZINC000409131425 556842312 /nfs/dbraw/zinc/84/23/12/556842312.db2.gz JJLOCFXSPXHYAT-YVLHZVERSA-N 0 0 435.412 5.386 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 ZINC000408771496 556846903 /nfs/dbraw/zinc/84/69/03/556846903.db2.gz HJRJCQQCFOBTIS-RWTNITNYSA-N 0 0 437.996 5.910 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 ZINC000408768826 556846931 /nfs/dbraw/zinc/84/69/31/556846931.db2.gz JYPRTAJAFLZGHM-LMSRTUJASA-N 0 0 431.605 5.873 40 10 IKCBRN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408770297 556847046 /nfs/dbraw/zinc/84/70/46/556847046.db2.gz VSPORFZAYRFKRT-UHFFFAOYSA-N 0 0 434.319 5.545 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)C(C(=O)OC)=C2C)cc1 ZINC000408769470 556847114 /nfs/dbraw/zinc/84/71/14/556847114.db2.gz MQAJEQNXTBQLLT-ATVHPVEESA-N 0 0 432.303 5.269 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000408777435 556848645 /nfs/dbraw/zinc/84/86/45/556848645.db2.gz ZBNGUKBZIDXUQY-XSFVSMFZSA-N 0 0 430.891 6.336 40 10 IKCBRN Cc1ccc(-c2[nH]nc(N(C)C)c2N=Nc2c(N(C)C)n[nH]c2-c2ccc(C)cc2)cc1 ZINC000008934951 556852634 /nfs/dbraw/zinc/85/26/34/556852634.db2.gz LPJVFAKPQRJVAK-BYYHNAKLSA-N 0 0 428.544 5.631 40 10 IKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000008935287 556852707 /nfs/dbraw/zinc/85/27/07/556852707.db2.gz HIMBFNXQVZJWIJ-NEMUNFNQSA-N 0 0 442.515 5.666 40 10 IKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C ZINC000408780372 556854397 /nfs/dbraw/zinc/85/43/97/556854397.db2.gz XVQGGXJTTZBAEN-YVLHZVERSA-N 0 0 433.335 5.093 40 10 IKCBRN COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 ZINC000408784968 556855522 /nfs/dbraw/zinc/85/55/22/556855522.db2.gz DTBIDBJHSMXPGR-HMMYKYKNSA-N 0 0 440.455 5.161 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408786781 556856498 /nfs/dbraw/zinc/85/64/98/556856498.db2.gz NMPOTDMECNMHNK-WYMPLXKRSA-N 0 0 446.616 6.228 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408806899 556859196 /nfs/dbraw/zinc/85/91/96/556859196.db2.gz CDWZFJSXBYVDQI-UHFFFAOYSA-N 0 0 436.988 6.127 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000408803839 556859825 /nfs/dbraw/zinc/85/98/25/556859825.db2.gz TXSFRZKCUDBLJN-UHFFFAOYSA-N 0 0 440.951 5.958 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(Nc4cc(C)ccc4OC)NC3=O)c2C)cc1 ZINC000408808563 556861557 /nfs/dbraw/zinc/86/15/57/556861557.db2.gz JJSAWEZJJGLIDF-UHFFFAOYSA-N 0 0 448.568 5.183 40 10 IKCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S1 ZINC000408817409 556864165 /nfs/dbraw/zinc/86/41/65/556864165.db2.gz TYCFGTUFATXMHL-UHFFFAOYSA-N 0 0 446.596 5.791 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408841426 556867400 /nfs/dbraw/zinc/86/74/00/556867400.db2.gz JAFKJDCETDQSES-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000408841721 556867696 /nfs/dbraw/zinc/86/76/96/556867696.db2.gz KAUGGIYHQWPFIX-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Br)cc2)cc1 ZINC000408841556 556867710 /nfs/dbraw/zinc/86/77/10/556867710.db2.gz JSNAHQLBHVVRCK-XSFVSMFZSA-N 0 0 437.293 5.275 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C(F)(F)F)c2)N1 ZINC000408838687 556868060 /nfs/dbraw/zinc/86/80/60/556868060.db2.gz ZKAXWLDPVNFYFK-KCYKTTMJSA-N 0 0 445.440 6.307 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408842502 556868145 /nfs/dbraw/zinc/86/81/45/556868145.db2.gz OFIKZNWNKDJRCL-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000408842781 556868163 /nfs/dbraw/zinc/86/81/63/556868163.db2.gz KVIMEJYICHMPON-CJLVFECKSA-N 0 0 431.923 5.249 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000408844484 556868360 /nfs/dbraw/zinc/86/83/60/556868360.db2.gz TVZKTLVOKCVOCL-JJIBRWJFSA-N 0 0 438.914 6.336 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408845346 556868634 /nfs/dbraw/zinc/86/86/34/556868634.db2.gz WCZZNCHEPACMBN-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408845032 556868712 /nfs/dbraw/zinc/86/87/12/556868712.db2.gz QBKQDMOEIWDQAE-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408848726 556870143 /nfs/dbraw/zinc/87/01/43/556870143.db2.gz YAVAQNAIJHRNDG-KGENOOAVSA-N 0 0 448.906 5.200 40 10 IKCBRN Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OCc1ccc(Br)cc1 ZINC000408858540 556871465 /nfs/dbraw/zinc/87/14/65/556871465.db2.gz SWRNJWXREVUPBL-CXUHLZMHSA-N 0 0 434.380 5.134 40 10 IKCBRN COC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408864709 556872950 /nfs/dbraw/zinc/87/29/50/556872950.db2.gz YLJPINNWZRVBIG-TYILLQQXSA-N 0 0 444.325 5.079 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409141159 556873537 /nfs/dbraw/zinc/87/35/37/556873537.db2.gz HCCAVVZYQFEOOI-ODLFYWEKSA-N 0 0 426.994 5.736 40 10 IKCBRN CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408870466 556874705 /nfs/dbraw/zinc/87/47/05/556874705.db2.gz FAPSDSSCGPBSJQ-UHFFFAOYSA-N 0 0 426.472 5.057 40 10 IKCBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409148987 556875675 /nfs/dbraw/zinc/87/56/75/556875675.db2.gz VMORBWGJUPOZSU-KQWNVCNZSA-N 0 0 432.545 5.444 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408873937 556875708 /nfs/dbraw/zinc/87/57/08/556875708.db2.gz XNCGOZZWXRPITD-HAHDFKILSA-N 0 0 446.934 5.625 40 10 IKCBRN Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000409150342 556876875 /nfs/dbraw/zinc/87/68/75/556876875.db2.gz BDQQUFBMCSMPRS-WZOHSFFVSA-N 0 0 438.423 8.112 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1Cl ZINC000409152463 556878221 /nfs/dbraw/zinc/87/82/21/556878221.db2.gz JVRVHLMAEQRJGG-OSWQYVSFSA-N 0 0 438.423 8.112 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409156020 556879385 /nfs/dbraw/zinc/87/93/85/556879385.db2.gz KAJQTLBBVMPYOH-PLXFJCCSSA-N 0 0 427.569 6.592 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408893033 556881679 /nfs/dbraw/zinc/88/16/79/556881679.db2.gz DTXAGTGBWDKSBK-AUWJEWJLSA-N 0 0 430.765 5.715 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408902206 556885011 /nfs/dbraw/zinc/88/50/11/556885011.db2.gz LVODXORNRKROPY-QGOAFFKASA-N 0 0 431.355 5.536 40 10 IKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408902297 556885052 /nfs/dbraw/zinc/88/50/52/556885052.db2.gz MVAOPAJIWQAZLC-GZTJUZNOSA-N 0 0 434.380 5.642 40 10 IKCBRN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408903474 556886029 /nfs/dbraw/zinc/88/60/29/556886029.db2.gz YIYHYUJSFYACTO-HYARGMPZSA-N 0 0 447.585 5.458 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408903551 556886116 /nfs/dbraw/zinc/88/61/16/556886116.db2.gz ZPJRQBHANBLXMO-HYARGMPZSA-N 0 0 448.364 5.971 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408945367 556897301 /nfs/dbraw/zinc/89/73/01/556897301.db2.gz WHVFLFIAGWXQLS-RCCKNPSSSA-N 0 0 430.891 5.361 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000408966298 556900752 /nfs/dbraw/zinc/90/07/52/556900752.db2.gz ZJXMXRICDHYVNO-HYARGMPZSA-N 0 0 432.614 6.425 40 10 IKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1I ZINC000408965186 556902551 /nfs/dbraw/zinc/90/25/51/556902551.db2.gz HEHJXJYDBMXCES-UHFFFAOYSA-N 0 0 438.106 5.820 40 10 IKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)OCc1ccccc1 ZINC000408973755 556904929 /nfs/dbraw/zinc/90/49/29/556904929.db2.gz BKZANLGLWVNBNZ-UHFFFAOYSA-N 0 0 429.479 6.838 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408975256 556905697 /nfs/dbraw/zinc/90/56/97/556905697.db2.gz LKELLOJORLKTGC-ULJHMMPZSA-N 0 0 431.532 5.271 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000408972804 556907467 /nfs/dbraw/zinc/90/74/67/556907467.db2.gz VSQRBSHMJZJMIA-ATVHPVEESA-N 0 0 441.365 5.512 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)OC)ccc3C)C2=O)cc1 ZINC000408985473 556909265 /nfs/dbraw/zinc/90/92/65/556909265.db2.gz MIHBBIUMGANPFW-XQNSMLJCSA-N 0 0 439.511 5.652 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408985764 556909324 /nfs/dbraw/zinc/90/93/24/556909324.db2.gz NDMZIVMVJVBADJ-SFQUDFHCSA-N 0 0 437.282 6.373 40 10 IKCBRN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c(C)c1 ZINC000408987409 556910202 /nfs/dbraw/zinc/91/02/02/556910202.db2.gz XMJVSFXARHABSV-RCCKNPSSSA-N 0 0 429.903 5.906 40 10 IKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 ZINC000408984524 556910843 /nfs/dbraw/zinc/91/08/43/556910843.db2.gz HWQYPZZRULITLI-CPNJWEJPSA-N 0 0 436.338 6.863 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000408995789 556912263 /nfs/dbraw/zinc/91/22/63/556912263.db2.gz DTHSEIOLARWEAB-WQRHYEAKSA-N 0 0 432.303 5.269 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408996354 556912424 /nfs/dbraw/zinc/91/24/24/556912424.db2.gz DEQHNYGBUFAVDX-PDGQHHTCSA-N 0 0 444.358 6.168 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408993101 556912656 /nfs/dbraw/zinc/91/26/56/556912656.db2.gz CKXKCIFEVKJZES-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S ZINC000409004911 556915333 /nfs/dbraw/zinc/91/53/33/556915333.db2.gz CDKZIBHETXHIIA-YVLHZVERSA-N 0 0 434.926 5.048 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409005964 556916034 /nfs/dbraw/zinc/91/60/34/556916034.db2.gz HNVRPVZOFNCQCH-KQWNVCNZSA-N 0 0 430.573 5.990 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S ZINC000409007118 556916508 /nfs/dbraw/zinc/91/65/08/556916508.db2.gz NXSWIWPOIALRBW-SXGWCWSVSA-N 0 0 442.364 5.933 40 10 IKCBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409004018 556917228 /nfs/dbraw/zinc/91/72/28/556917228.db2.gz WEBCAMFZSHFYRQ-LSVUDHJXSA-N 0 0 444.535 6.177 40 10 IKCBRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409004176 556917280 /nfs/dbraw/zinc/91/72/80/556917280.db2.gz WVKNXSFGSPBFAN-SADOOTFCSA-N 0 0 448.526 6.602 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409010254 556917959 /nfs/dbraw/zinc/91/79/59/556917959.db2.gz BHFIRYDTYNHNFT-JLPGSUDCSA-N 0 0 446.591 5.716 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)C(=O)N(c2ccccc2)C1=S ZINC000409013654 556920008 /nfs/dbraw/zinc/92/00/08/556920008.db2.gz CIHANKNIVNVBCV-OQKWZONESA-N 0 0 443.572 5.048 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C1=S ZINC000409016436 556921355 /nfs/dbraw/zinc/92/13/55/556921355.db2.gz IUDAGUBEHDAWHW-CAPFRKAQSA-N 0 0 448.569 5.385 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000409023322 556923549 /nfs/dbraw/zinc/92/35/49/556923549.db2.gz JINPOHKRZARZKC-UVTDQMKNSA-N 0 0 436.266 5.018 40 10 IKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000409023816 556923776 /nfs/dbraw/zinc/92/37/76/556923776.db2.gz QUWZJPONEDUHBU-LSCVHKIXSA-N 0 0 434.344 5.593 40 10 IKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S ZINC000409038483 556927975 /nfs/dbraw/zinc/92/79/75/556927975.db2.gz PDURYZAOTGXVHB-GRSHGNNSSA-N 0 0 435.973 5.915 40 10 IKCBRN CC[C@H](C)n1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 ZINC000409036584 556928762 /nfs/dbraw/zinc/92/87/62/556928762.db2.gz LSRCXQQGMXSDJS-XKYMITNMSA-N 0 0 439.481 6.453 40 10 IKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC1=S ZINC000409043798 556929986 /nfs/dbraw/zinc/92/99/86/556929986.db2.gz ZRIXUXOQDUZFOF-GRSHGNNSSA-N 0 0 435.973 5.915 40 10 IKCBRN CC[C@H](C)n1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 ZINC000409046389 556930744 /nfs/dbraw/zinc/93/07/44/556930744.db2.gz KBRXMMZYYYLJHB-YIRPMMGJSA-N 0 0 439.481 6.578 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 ZINC000409052180 556933708 /nfs/dbraw/zinc/93/37/08/556933708.db2.gz GNAUTULNHUXBSO-NDENLUEZSA-N 0 0 436.514 5.565 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000409054171 556937725 /nfs/dbraw/zinc/93/77/25/556937725.db2.gz RUKSTZKRWXZJLY-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409061580 556939393 /nfs/dbraw/zinc/93/93/93/556939393.db2.gz FYBYQIBSHZSUEM-UCQKPKSFSA-N 0 0 448.469 5.250 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409066263 556941818 /nfs/dbraw/zinc/94/18/18/556941818.db2.gz MQQVNPLIBVZNLG-JAIQZWGSSA-N 0 0 426.303 5.498 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409095337 556950263 /nfs/dbraw/zinc/95/02/63/556950263.db2.gz BYKXMOYUQLOPMQ-CIAFOILYSA-N 0 0 440.565 5.205 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 ZINC000409096981 556953220 /nfs/dbraw/zinc/95/32/20/556953220.db2.gz MVLQLYLYNJJSFF-PCLIKHOPSA-N 0 0 445.538 5.669 40 10 IKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 ZINC000409106771 556959120 /nfs/dbraw/zinc/95/91/20/556959120.db2.gz OZFDFQOSVWYDDS-ZHZULCJRSA-N 0 0 440.014 6.897 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c2ccccc21 ZINC000409116333 556963128 /nfs/dbraw/zinc/96/31/28/556963128.db2.gz UURSIDGTTNEODS-JLPGSUDCSA-N 0 0 437.499 5.895 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409124751 556964368 /nfs/dbraw/zinc/96/43/68/556964368.db2.gz BQMICRKDFPGJHD-ZDLGFXPLSA-N 0 0 447.398 5.918 40 10 IKCBRN Cc1cccc(COc2ccc(C[C@@H]3SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000409159872 556974313 /nfs/dbraw/zinc/97/43/13/556974313.db2.gz AVRTZPAKCKQLIT-DEOSSOPVSA-N 0 0 447.625 5.588 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000409161064 556975526 /nfs/dbraw/zinc/97/55/26/556975526.db2.gz VVOSDJWGXFWXTG-WTOJCKNJSA-N 0 0 425.153 6.591 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000409161065 556975568 /nfs/dbraw/zinc/97/55/68/556975568.db2.gz VVOSDJWGXFWXTG-XEKQOVJPSA-N 0 0 425.153 6.591 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 ZINC000409160090 556978140 /nfs/dbraw/zinc/97/81/40/556978140.db2.gz XJECVCDLHIOSPC-UMEGOILYSA-N 0 0 437.530 7.824 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409163769 556978252 /nfs/dbraw/zinc/97/82/52/556978252.db2.gz XPZVUGWBHURBQB-JQYIIUTOSA-N 0 0 428.557 7.022 40 10 IKCBRN Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409152912 556978622 /nfs/dbraw/zinc/97/86/22/556978622.db2.gz GNZHSXIVFVUGBX-SLSDLSHTSA-N 0 0 448.429 7.568 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409153375 556978912 /nfs/dbraw/zinc/97/89/12/556978912.db2.gz HVOWVHLYWOCWMW-XNJGSVPQSA-N 0 0 428.679 6.948 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000409164433 556979000 /nfs/dbraw/zinc/97/90/00/556979000.db2.gz IKHIGQBCSFOTBY-VGTOOOLASA-N 0 0 428.679 6.948 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409156022 556979731 /nfs/dbraw/zinc/97/97/31/556979731.db2.gz KAJQTLBBVMPYOH-UMFSSWHCSA-N 0 0 427.569 6.592 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 ZINC000409166464 556980458 /nfs/dbraw/zinc/98/04/58/556980458.db2.gz DVXRIKIOZGPRHO-FHSNZYRGSA-N 0 0 435.159 6.047 40 10 IKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000409172817 556986881 /nfs/dbraw/zinc/98/68/81/556986881.db2.gz LOXFGLUKENNSDN-VGTOOOLASA-N 0 0 429.225 6.747 40 10 IKCBRN O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCCC1 ZINC000409194256 556993208 /nfs/dbraw/zinc/99/32/08/556993208.db2.gz IUTUWSDXZXBWHS-XIEYBQDHSA-N 0 0 447.538 5.483 40 10 IKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\c4ccccc4N(CC)C3=O)c2C)cc1 ZINC000409198788 556995730 /nfs/dbraw/zinc/99/57/30/556995730.db2.gz LAINAGHHWHTJQC-XIEYBQDHSA-N 0 0 442.559 5.958 40 10 IKCBRN CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21 ZINC000409204176 557002932 /nfs/dbraw/zinc/00/29/32/557002932.db2.gz CSUGTOVJTOPACQ-DEDYPNTBSA-N 0 0 433.338 6.513 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409183059 557002964 /nfs/dbraw/zinc/00/29/64/557002964.db2.gz QUXSZWFPQMKBRR-ZDLGFXPLSA-N 0 0 433.888 6.284 40 10 IKCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409211097 557005602 /nfs/dbraw/zinc/00/56/02/557005602.db2.gz MRBNIVZZQKPBRH-RGVLZGJSSA-N 0 0 444.940 5.198 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)SC1=S ZINC000409214532 557009161 /nfs/dbraw/zinc/00/91/61/557009161.db2.gz XZZZBETWDXRBBL-BOPFTXTBSA-N 0 0 435.954 5.388 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccccc23)c2ccccc21 ZINC000409197377 557012077 /nfs/dbraw/zinc/01/20/77/557012077.db2.gz DDNJCCNASOZHHH-NLRVBDNBSA-N 0 0 436.555 6.244 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S ZINC000409200483 557013386 /nfs/dbraw/zinc/01/33/86/557013386.db2.gz HODDKJFEXABEEL-YBFXNURJSA-N 0 0 439.518 5.119 40 10 IKCBRN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\c4ccccc4N(C)C3=O)c1C)CCCC2 ZINC000409200466 557013409 /nfs/dbraw/zinc/01/34/09/557013409.db2.gz SKKOKLLQTHYNSQ-XSFVSMFZSA-N 0 0 446.572 5.338 40 10 IKCBRN CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21 ZINC000409203594 557014884 /nfs/dbraw/zinc/01/48/84/557014884.db2.gz YCHCDSASOZLDMT-CIAFOILYSA-N 0 0 433.338 6.513 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)c2ccccc21 ZINC000409204246 557015582 /nfs/dbraw/zinc/01/55/82/557015582.db2.gz DXTOXHKJWYTANI-OVVQPSECSA-N 0 0 428.535 6.750 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)c2ccccc21 ZINC000409206194 557016283 /nfs/dbraw/zinc/01/62/83/557016283.db2.gz IHNMRFSQBUZOEK-PTGBLXJZSA-N 0 0 438.527 5.636 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000409207424 557017917 /nfs/dbraw/zinc/01/79/17/557017917.db2.gz WQOQZROSOKCRHP-YBFXNURJSA-N 0 0 439.518 5.119 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409207875 557018832 /nfs/dbraw/zinc/01/88/32/557018832.db2.gz BVKNBCAEDILBIW-OQLLNIDSSA-N 0 0 435.324 5.072 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000409210722 557021287 /nfs/dbraw/zinc/02/12/87/557021287.db2.gz GMKDGHPUPXMKFQ-HYARGMPZSA-N 0 0 434.948 6.334 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000409212744 557026855 /nfs/dbraw/zinc/02/68/55/557026855.db2.gz QLYJXSVFUFDGPZ-CXUHLZMHSA-N 0 0 449.351 5.380 40 10 IKCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409247033 557028592 /nfs/dbraw/zinc/02/85/92/557028592.db2.gz FZDMDSAVRJXUPR-OEAKJJBVSA-N 0 0 449.938 5.239 40 10 IKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1 ZINC000408527323 557030065 /nfs/dbraw/zinc/03/00/65/557030065.db2.gz DFVBBERVQJTZRP-FYJGNVAPSA-N 0 0 437.586 6.691 40 10 IKCBRN 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557075283 /nfs/dbraw/zinc/07/52/83/557075283.db2.gz OJFGLNYMZWKBOT-CYUIRQCWSA-N 0 0 446.981 5.064 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409347337 557075688 /nfs/dbraw/zinc/07/56/88/557075688.db2.gz LWTJURSJWKYMCP-LGVXEURYSA-N 0 0 449.597 6.432 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409348230 557076187 /nfs/dbraw/zinc/07/61/87/557076187.db2.gz SDVBZQADAMFQIW-NNLQFVHNSA-N 0 0 438.401 6.577 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409348439 557076456 /nfs/dbraw/zinc/07/64/56/557076456.db2.gz SSARCBQTHZASQI-QNGOZBTKSA-N 0 0 443.590 5.679 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)cc1 ZINC000409348712 557076800 /nfs/dbraw/zinc/07/68/00/557076800.db2.gz OSFZUNUWEMIJHV-RGEXLXHISA-N 0 0 439.583 6.235 40 10 IKCBRN CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409349109 557077174 /nfs/dbraw/zinc/07/71/74/557077174.db2.gz UNPBLOGUNURAGC-JLPGSUDCSA-N 0 0 441.577 6.798 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ZINC000208238726 557080065 /nfs/dbraw/zinc/08/00/65/557080065.db2.gz BERBXKDOFJXGCR-CFFVULROSA-N 0 0 443.975 6.284 40 10 IKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 ZINC000208253393 557080105 /nfs/dbraw/zinc/08/01/05/557080105.db2.gz ZZZNJUMSJHVYBT-FHOUHHFSSA-N 0 0 441.934 5.294 40 10 IKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(Nc4ccccc4)=NC3=O)cc21 ZINC000208242044 557080141 /nfs/dbraw/zinc/08/01/41/557080141.db2.gz BMEDYKZFYZAABP-GNKPEBMXSA-N 0 0 425.985 6.144 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409247642 557080695 /nfs/dbraw/zinc/08/06/95/557080695.db2.gz FAZLEQQCQGCCKR-IMRQLAEWSA-N 0 0 447.538 5.854 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(F)F ZINC000409354003 557080910 /nfs/dbraw/zinc/08/09/10/557080910.db2.gz WILHTRZFJINKRJ-GZTJUZNOSA-N 0 0 437.489 5.101 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409253395 557081282 /nfs/dbraw/zinc/08/12/82/557081282.db2.gz 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557142576 /nfs/dbraw/zinc/14/25/76/557142576.db2.gz NDNPGEAAEVTEMV-CFRMEGHHSA-N 0 0 441.600 5.407 40 10 IKCBRN S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)NC1CCCCC1 ZINC000408734962 557142690 /nfs/dbraw/zinc/14/26/90/557142690.db2.gz HSMMFMWCIBDFNQ-UHFFFAOYSA-N 0 0 436.584 6.709 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(C)cc1C ZINC000409392687 557142918 /nfs/dbraw/zinc/14/29/18/557142918.db2.gz NEMIWIIQMSFCNO-CFRMEGHHSA-N 0 0 427.573 5.098 40 10 IKCBRN S=C(NNc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735533 557142967 /nfs/dbraw/zinc/14/29/67/557142967.db2.gz RGEGETJYVUFYKF-UHFFFAOYSA-N 0 0 445.551 6.403 40 10 IKCBRN CCOc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 ZINC000408736117 557143531 /nfs/dbraw/zinc/14/35/31/557143531.db2.gz GEKZNLPZWNVINS-VHSZZVNMSA-N 0 0 442.515 6.399 40 10 IKCBRN CCCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736112 557143550 /nfs/dbraw/zinc/14/35/50/557143550.db2.gz FQPMBUJFWTXWFI-LQWHRVPQSA-N 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COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408736492 557144525 /nfs/dbraw/zinc/14/45/25/557144525.db2.gz WPHFSLVJPPKJSW-SWYRRKHMSA-N 0 0 441.527 5.887 40 10 IKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006135785 557145656 /nfs/dbraw/zinc/14/56/56/557145656.db2.gz SPNYMJLMVXXJKA-OCOZRVBESA-N 0 0 432.436 5.116 40 10 IKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 ZINC000408738944 557147981 /nfs/dbraw/zinc/14/79/81/557147981.db2.gz QKGGLVLDECZHMV-HMMYKYKNSA-N 0 0 446.344 6.319 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 ZINC000408742270 557150366 /nfs/dbraw/zinc/15/03/66/557150366.db2.gz OBSNBGPEAWEHNL-DEDYPNTBSA-N 0 0 432.447 5.403 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000408742264 557150449 /nfs/dbraw/zinc/15/04/49/557150449.db2.gz OAUFWGGDEBLUHE-BUVRLJJBSA-N 0 0 426.512 6.262 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000408742781 557150810 /nfs/dbraw/zinc/15/08/10/557150810.db2.gz PWXFEAAPFVZSJH-VGOFMYFVSA-N 0 0 449.684 5.018 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1F ZINC000408744150 557151550 /nfs/dbraw/zinc/15/15/50/557151550.db2.gz XCTPAUXRASDTGJ-KGENOOAVSA-N 0 0 446.474 5.793 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408752025 557160486 /nfs/dbraw/zinc/16/04/86/557160486.db2.gz BGUYWXYKHGNWND-RGVLZGJSSA-N 0 0 429.253 6.106 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000106766577 557161457 /nfs/dbraw/zinc/16/14/57/557161457.db2.gz BSKZYWYFSLPCOD-KQWNVCNZSA-N 0 0 432.545 5.518 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408752950 557163668 /nfs/dbraw/zinc/16/36/68/557163668.db2.gz KDRNTVILSVNDLY-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1cccc(Br)c1 ZINC000408753210 557163995 /nfs/dbraw/zinc/16/39/95/557163995.db2.gz FFRSNUONMOOZAJ-UDWIEESQSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408753543 557164517 /nfs/dbraw/zinc/16/45/17/557164517.db2.gz NHNVPESGHKDPMJ-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2cccc(C)c2)cc1 ZINC000408755968 557165192 /nfs/dbraw/zinc/16/51/92/557165192.db2.gz QBMIRKMYZGTZNE-XQNSMLJCSA-N 0 0 427.460 5.136 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408754224 557165545 /nfs/dbraw/zinc/16/55/45/557165545.db2.gz JEYPZEXGPVYBGS-JJIBRWJFSA-N 0 0 429.495 5.125 40 10 IKCBRN Cc1cc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408754742 557166577 /nfs/dbraw/zinc/16/65/77/557166577.db2.gz HVZWBPHSALXOFR-ONUIUJJFSA-N 0 0 448.566 6.603 40 10 IKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)N(c2cccc3ccccc32)N=C1C ZINC000408754953 557167449 /nfs/dbraw/zinc/16/74/49/557167449.db2.gz AUQYVOGLZSLRDN-QQXSKIMKSA-N 0 0 434.543 6.065 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)c1 ZINC000408758938 557168344 /nfs/dbraw/zinc/16/83/44/557168344.db2.gz VCCUXQSGTZTZDJ-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 ZINC000408756570 557168772 /nfs/dbraw/zinc/16/87/72/557168772.db2.gz ZYCIHADOPSOCSC-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(Br)cc1 ZINC000408757319 557169418 /nfs/dbraw/zinc/16/94/18/557169418.db2.gz YLNJGNVBZRZEBV-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408757096 557169439 /nfs/dbraw/zinc/16/94/39/557169439.db2.gz WQGGKVVWSZFRQF-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000408757349 557169497 /nfs/dbraw/zinc/16/94/97/557169497.db2.gz MHPPHSRGLDOSES-PCLIKHOPSA-N 0 0 436.515 5.457 40 10 IKCBRN Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)C(=O)O3)ccc2c1 ZINC000408757507 557169786 /nfs/dbraw/zinc/16/97/86/557169786.db2.gz YQYTWGCKCZMFQM-NDENLUEZSA-N 0 0 447.317 7.696 40 10 IKCBRN Cc1cc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(C)n1-c1cccc(C)c1C ZINC000408757493 557169807 /nfs/dbraw/zinc/16/98/07/557169807.db2.gz YELNXYXKPZCAGY-YUMHPJSZSA-N 0 0 433.551 7.154 40 10 IKCBRN O=C(Oc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O)c1cccc2ccccc21 ZINC000408758932 557174170 /nfs/dbraw/zinc/17/41/70/557174170.db2.gz UZXAZQHOSMQXHN-HMAPJEAMSA-N 0 0 441.533 5.701 40 10 IKCBRN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218000347 557175189 /nfs/dbraw/zinc/17/51/89/557175189.db2.gz IFSHFHMTUAZVRV-FGZHOGPDSA-N 0 0 444.644 6.706 40 10 IKCBRN COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)C=C1c1ccc(Cl)cc1 ZINC000408761392 557175598 /nfs/dbraw/zinc/17/55/98/557175598.db2.gz JQMCQFATDKNLKM-CYVLTUHYSA-N 0 0 445.902 5.607 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408762360 557176620 /nfs/dbraw/zinc/17/66/20/557176620.db2.gz KJLRBQYSIHMAQZ-YBFXNURJSA-N 0 0 437.282 5.557 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408762568 557176917 /nfs/dbraw/zinc/17/69/17/557176917.db2.gz DVGHBERECAACDB-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408759669 557177643 /nfs/dbraw/zinc/17/76/43/557177643.db2.gz JFUWZOMPDXGCGU-PXLXIMEGSA-N 0 0 436.342 5.894 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3F)C2=O)cc1OC ZINC000408760042 557178079 /nfs/dbraw/zinc/17/80/79/557178079.db2.gz QMBRTFZLNMJJFP-QGOAFFKASA-N 0 0 435.882 5.968 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408760679 557178384 /nfs/dbraw/zinc/17/83/84/557178384.db2.gz CXZOONRDALQLBE-RGVLZGJSSA-N 0 0 445.708 6.620 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408763576 557181088 /nfs/dbraw/zinc/18/10/88/557181088.db2.gz IWKULVUTEPYBKK-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc4ccccc43)C2=O)cc1 ZINC000408763631 557181126 /nfs/dbraw/zinc/18/11/26/557181126.db2.gz OLHQSSBNTHTCAW-XLNRJJMWSA-N 0 0 437.926 6.973 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)c1 ZINC000408763765 557181557 /nfs/dbraw/zinc/18/15/57/557181557.db2.gz USDGQWHUWKMTAD-KGENOOAVSA-N 0 0 433.305 5.292 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000408763835 557181776 /nfs/dbraw/zinc/18/17/76/557181776.db2.gz KLZBFVUTHRNJGS-DEDYPNTBSA-N 0 0 448.276 5.192 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408764282 557182101 /nfs/dbraw/zinc/18/21/01/557182101.db2.gz STDBHGXBWKVPFW-UDWIEESQSA-N 0 0 427.718 6.481 40 10 IKCBRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218213677 557182463 /nfs/dbraw/zinc/18/24/63/557182463.db2.gz UHWIKXVNPAZDEO-CVEARBPZSA-N 0 0 448.348 5.019 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408763343 557183114 /nfs/dbraw/zinc/18/31/14/557183114.db2.gz MWPQLFUOJKGSKA-KGENOOAVSA-N 0 0 434.854 5.100 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408766119 557188731 /nfs/dbraw/zinc/18/87/31/557188731.db2.gz ZNAYUVYMOMSQMA-FYJGNVAPSA-N 0 0 436.870 5.331 40 10 IKCBRN CC[C@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408767359 557189423 /nfs/dbraw/zinc/18/94/23/557189423.db2.gz ZWXSUNGBXUBDTK-IBZADVPGSA-N 0 0 443.974 7.333 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 ZINC000408768827 557193873 /nfs/dbraw/zinc/19/38/73/557193873.db2.gz JYPRTAJAFLZGHM-RISWYLRJSA-N 0 0 431.605 5.873 40 10 IKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 ZINC000408777101 557199816 /nfs/dbraw/zinc/19/98/16/557199816.db2.gz VFKZJOFRSOAOQQ-LTGZKZEYSA-N 0 0 426.472 5.773 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 ZINC000408776142 557200425 /nfs/dbraw/zinc/20/04/25/557200425.db2.gz ULKFLQXQZOTSQV-RISWYLRJSA-N 0 0 431.605 5.873 40 10 IKCBRN O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000010113298 557205605 /nfs/dbraw/zinc/20/56/05/557205605.db2.gz LKNADIJMZWKWTN-HKOYGPOVSA-N 0 0 432.951 5.034 40 10 IKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1 ZINC000408783589 557206849 /nfs/dbraw/zinc/20/68/49/557206849.db2.gz NGXZORGELZYUDV-RCCKNPSSSA-N 0 0 426.472 5.773 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 ZINC000408783852 557206935 /nfs/dbraw/zinc/20/69/35/557206935.db2.gz NTSIJERFZHPGHZ-GJFKPFFXSA-N 0 0 433.577 5.265 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 ZINC000408784989 557208087 /nfs/dbraw/zinc/20/80/87/557208087.db2.gz WOUIETCYXJETGB-BIWBSIMWSA-N 0 0 445.632 6.380 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000408787136 557208889 /nfs/dbraw/zinc/20/88/89/557208889.db2.gz SDGOFGYGGAWVEH-DEDYPNTBSA-N 0 0 430.891 6.336 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000408788380 557209345 /nfs/dbraw/zinc/20/93/45/557209345.db2.gz FBIIOFJWXMEHOJ-LDADJPATSA-N 0 0 434.854 6.167 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218607175 557210132 /nfs/dbraw/zinc/21/01/32/557210132.db2.gz GPKBNMQQYQMYNZ-JOCHJYFZSA-N 0 0 444.644 6.706 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl ZINC000218713710 557213217 /nfs/dbraw/zinc/21/32/17/557213217.db2.gz DZEORQJEVMHSHC-LSTHTHJFSA-N 0 0 429.004 5.838 40 10 IKCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1 ZINC000408808102 557219681 /nfs/dbraw/zinc/21/96/81/557219681.db2.gz DYZIMSXQESENKP-UHFFFAOYSA-N 0 0 446.596 5.791 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989798 557222613 /nfs/dbraw/zinc/22/26/13/557222613.db2.gz OMFILPBKBGRVLF-UHFFFAOYSA-N 0 0 434.967 5.839 40 10 IKCBRN C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219129881 557227644 /nfs/dbraw/zinc/22/76/44/557227644.db2.gz VITHEJRDGYQZMJ-QHCPKHFHSA-N 0 0 426.604 6.322 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408815972 557228171 /nfs/dbraw/zinc/22/81/71/557228171.db2.gz WDHFMHYJFWDFGG-XKZIYDEJSA-N 0 0 436.508 5.478 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408820502 557234413 /nfs/dbraw/zinc/23/44/13/557234413.db2.gz WQBNTIYWOWTROP-XKZIYDEJSA-N 0 0 436.508 5.478 40 10 IKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219338813 557238090 /nfs/dbraw/zinc/23/80/90/557238090.db2.gz JQOKOQILDZDYOK-YPCDYVTLSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219348894 557238437 /nfs/dbraw/zinc/23/84/37/557238437.db2.gz RRYOIKZGHJMDCU-KDYSTLNUSA-N 0 0 430.592 6.111 40 10 IKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 ZINC000112291476 557238845 /nfs/dbraw/zinc/23/88/45/557238845.db2.gz OWWAUINMIKYHFK-KQWNVCNZSA-N 0 0 443.576 5.387 40 10 IKCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 ZINC000112290407 557238982 /nfs/dbraw/zinc/23/89/82/557238982.db2.gz ULXOENIPKTZYAX-BWAHOGKJSA-N 0 0 425.488 5.005 40 10 IKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219386282 557239216 /nfs/dbraw/zinc/23/92/16/557239216.db2.gz AUSJPTLROJFJQW-MBSDFSHPSA-N 0 0 431.045 6.324 40 10 IKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000112292474 557239322 /nfs/dbraw/zinc/23/93/22/557239322.db2.gz PVXASWAJIPPOPB-XHPQRKPJSA-N 0 0 441.531 6.376 40 10 IKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219386603 557239583 /nfs/dbraw/zinc/23/95/83/557239583.db2.gz ZKVUVGFHBOMNMB-STSQHVNTSA-N 0 0 431.045 6.324 40 10 IKCBRN CC(NCCSc1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112294451 557239677 /nfs/dbraw/zinc/23/96/77/557239677.db2.gz MTKMUSHFFQIWRR-NKFKGCMQSA-N 0 0 447.991 5.747 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccccc2Cl)cc1 ZINC000112293611 557239730 /nfs/dbraw/zinc/23/97/30/557239730.db2.gz WRHOZPSRFPDPBD-QJOMJCCJSA-N 0 0 431.923 5.163 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000040867483 557240716 /nfs/dbraw/zinc/24/07/16/557240716.db2.gz IUUIDNXPLINATF-JCMHNJIXSA-N 0 0 433.554 5.680 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000040867495 557240747 /nfs/dbraw/zinc/24/07/47/557240747.db2.gz MURWRTOWNWFOOB-AQTBWJFISA-N 0 0 448.407 6.034 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000408839982 557260861 /nfs/dbraw/zinc/26/08/61/557260861.db2.gz BZBQRXPRQNYAIA-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408840912 557262203 /nfs/dbraw/zinc/26/22/03/557262203.db2.gz GGYATHUHYCBOQM-XSFVSMFZSA-N 0 0 433.851 5.091 40 10 IKCBRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219688258 557262444 /nfs/dbraw/zinc/26/24/44/557262444.db2.gz KVDQUWPIFUEWLM-ROUUACIJSA-N 0 0 445.401 5.330 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 ZINC000408844013 557263495 /nfs/dbraw/zinc/26/34/95/557263495.db2.gz OHEPQBJAJWKSRA-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)C2=CCC=C[C@@H]2C3=O)cc1C ZINC000100643758 557267191 /nfs/dbraw/zinc/26/71/91/557267191.db2.gz BPFNGJOREWNVEV-ZEQRLZLVSA-N 0 0 448.566 7.145 40 10 IKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000013025249 557274347 /nfs/dbraw/zinc/27/43/47/557274347.db2.gz ALQFJHQEHCGVAJ-VWLOTQADSA-N 0 0 445.563 5.101 40 10 IKCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000102710351 557305880 /nfs/dbraw/zinc/30/58/80/557305880.db2.gz WVDIMIVWIGYONS-JXQFQVJHSA-N 0 0 441.402 6.836 40 10 IKCBRN COC1=CC(=NNc2ccccc2)C(OC)=CC1=NN=C1C(=O)Nc2ccccc2C1=O ZINC000102748997 557307176 /nfs/dbraw/zinc/30/71/76/557307176.db2.gz DHQPPOYLOLLOCW-FNBANUKLSA-N 0 0 429.436 6.494 40 10 IKCBRN COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113830933 557307194 /nfs/dbraw/zinc/30/71/94/557307194.db2.gz QPFZLINXAFFLAJ-LZYBPNLTSA-N 0 0 440.373 5.412 40 10 IKCBRN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113834353 557307630 /nfs/dbraw/zinc/30/76/30/557307630.db2.gz IBXBKAAYUWGRJQ-HYARGMPZSA-N 0 0 442.521 6.307 40 10 IKCBRN O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000113837660 557307784 /nfs/dbraw/zinc/30/77/84/557307784.db2.gz XSCPJWCKNYPSKW-LHHJGKSTSA-N 0 0 445.736 5.961 40 10 IKCBRN O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000113837716 557307861 /nfs/dbraw/zinc/30/78/61/557307861.db2.gz YOWLWOCMANNXSQ-MKMNVTDBSA-N 0 0 445.736 5.961 40 10 IKCBRN CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCC ZINC000013371341 557309113 /nfs/dbraw/zinc/30/91/13/557309113.db2.gz NWZGTKLNOMLRMG-YVLHZVERSA-N 0 0 429.310 5.536 40 10 IKCBRN Cc1cc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)ccc1Cl ZINC000033390830 557319091 /nfs/dbraw/zinc/31/90/91/557319091.db2.gz ZPBAUUPNAKYFHZ-UYRXBGFRSA-N 0 0 433.982 5.327 40 10 IKCBRN Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000033390941 557319141 /nfs/dbraw/zinc/31/91/41/557319141.db2.gz JRXXSJMAKKUTDH-MOSHPQCFSA-N 0 0 448.009 5.636 40 10 IKCBRN Nc1cc(N)c(/N=N/c2ccc(Cl)c(/N=N\c3cc(Cl)c(N)cc3N)c2)cc1Cl ZINC000104050108 557319441 /nfs/dbraw/zinc/31/94/41/557319441.db2.gz UDHQBTHXNKZWJS-ZTCSZMBZSA-N 0 0 449.733 6.806 40 10 IKCBRN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000013464059 557321737 /nfs/dbraw/zinc/32/17/37/557321737.db2.gz PNANEEGQWCRWBN-BKUYFWCQSA-N 0 0 437.326 6.379 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc21 ZINC000222610712 557361446 /nfs/dbraw/zinc/36/14/46/557361446.db2.gz LZXJBZYRQQTJJP-ATANMQQVSA-N 0 0 438.600 6.232 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000222619281 557362824 /nfs/dbraw/zinc/36/28/24/557362824.db2.gz BQPFSGQKXIVOGC-CYSDGLOUSA-N 0 0 430.621 6.004 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000222619202 557362868 /nfs/dbraw/zinc/36/28/68/557362868.db2.gz BQPFSGQKXIVOGC-DNVKUUNQSA-N 0 0 430.621 6.004 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1C ZINC000222619687 557362946 /nfs/dbraw/zinc/36/29/46/557362946.db2.gz YKXBYXVUZZMYIS-MPMWTEJESA-N 0 0 437.012 6.040 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222620534 557363205 /nfs/dbraw/zinc/36/32/05/557363205.db2.gz VBVDBWUUKPHVLF-VVMVZBAXSA-N 0 0 430.621 5.949 40 10 IKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 ZINC000025395591 557371677 /nfs/dbraw/zinc/37/16/77/557371677.db2.gz JEIZJRJTBLPFRH-BYYHNAKLSA-N 0 0 426.476 5.689 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222695997 557375127 /nfs/dbraw/zinc/37/51/27/557375127.db2.gz LVNZTOWCSSOPBQ-YNJKOYDBSA-N 0 0 430.621 6.031 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000222699096 557375419 /nfs/dbraw/zinc/37/54/19/557375419.db2.gz JXKDGJOTPSZTDE-PUZWTLIVSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 ZINC000222697852 557375501 /nfs/dbraw/zinc/37/55/01/557375501.db2.gz WCLYWWIYNIMQKJ-SXSPYAJSSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 ZINC000222700236 557375835 /nfs/dbraw/zinc/37/58/35/557375835.db2.gz AMZQPMQIVMEBCH-BTZRARBUSA-N 0 0 445.636 5.535 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 ZINC000222700440 557375855 /nfs/dbraw/zinc/37/58/55/557375855.db2.gz AMZQPMQIVMEBCH-QTLGCAHFSA-N 0 0 445.636 5.535 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 ZINC000222700993 557376064 /nfs/dbraw/zinc/37/60/64/557376064.db2.gz NFAFOEULHVJDBZ-BUUDZMLXSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 ZINC000222701552 557376182 /nfs/dbraw/zinc/37/61/82/557376182.db2.gz HKTCNSPIYPBMAI-BUUDZMLXSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 ZINC000222702113 557376314 /nfs/dbraw/zinc/37/63/14/557376314.db2.gz UAVJJNWGUZEXSL-BBVWWWHTSA-N 0 0 444.648 6.394 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222703058 557376372 /nfs/dbraw/zinc/37/63/72/557376372.db2.gz JDQONKJAVOYORL-QQSVUBKYSA-N 0 0 444.648 6.339 40 10 IKCBRN Clc1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000013614450 557377447 /nfs/dbraw/zinc/37/74/47/557377447.db2.gz RPFZUFVCTNLFBZ-CZIZLABSSA-N 0 0 442.127 6.425 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000222737970 557381493 /nfs/dbraw/zinc/38/14/93/557381493.db2.gz CPPPPYHVMOMXQF-PMACEKPBSA-N 0 0 430.499 5.110 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000222743613 557381954 /nfs/dbraw/zinc/38/19/54/557381954.db2.gz YEUTZILAQZPLOZ-PMACEKPBSA-N 0 0 431.392 5.398 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000222743478 557381978 /nfs/dbraw/zinc/38/19/78/557381978.db2.gz YEUTZILAQZPLOZ-UXHICEINSA-N 0 0 431.392 5.398 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222781149 557386504 /nfs/dbraw/zinc/38/65/04/557386504.db2.gz BLIWCGSLZYVJJJ-LOSJGSFVSA-N 0 0 426.589 5.635 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000222788910 557387109 /nfs/dbraw/zinc/38/71/09/557387109.db2.gz UCHRVOURDFNBRV-SFTDATJTSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222790973 557387358 /nfs/dbraw/zinc/38/73/58/557387358.db2.gz HQTFDNBTNLIRLU-FGZHOGPDSA-N 0 0 425.001 5.443 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc21 ZINC000222825720 557390805 /nfs/dbraw/zinc/39/08/05/557390805.db2.gz UBUUNYCRCJQQGR-CLJLJLNGSA-N 0 0 440.616 6.023 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl ZINC000222829179 557391115 /nfs/dbraw/zinc/39/11/15/557391115.db2.gz PHQCALLDMPAGEN-FGZHOGPDSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1C ZINC000222836285 557391855 /nfs/dbraw/zinc/39/18/55/557391855.db2.gz QPCOZQDALRCEIH-XZOQPEGZSA-N 0 0 439.028 5.832 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222837225 557391919 /nfs/dbraw/zinc/39/19/19/557391919.db2.gz YHWRBGRAMRROCY-ILBGXUMGSA-N 0 0 432.637 5.741 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222837403 557392069 /nfs/dbraw/zinc/39/20/69/557392069.db2.gz YHWRBGRAMRROCY-ZCYQVOJMSA-N 0 0 432.637 5.741 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222874376 557396655 /nfs/dbraw/zinc/39/66/55/557396655.db2.gz KMEGLCMXMUVWBD-YADHBBJMSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222874572 557396693 /nfs/dbraw/zinc/39/66/93/557396693.db2.gz HEQCWEIEJSUSGD-VXKWHMMOSA-N 0 0 425.001 5.525 40 10 IKCBRN CCc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(CC)C3=O)c2)cc1 ZINC000033430047 557397315 /nfs/dbraw/zinc/39/73/15/557397315.db2.gz GMQUMSMMUDAHCJ-PGMHBOJBSA-N 0 0 427.591 5.318 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000033430113 557397333 /nfs/dbraw/zinc/39/73/33/557397333.db2.gz WTSATBLSPDVROA-UYRXBGFRSA-N 0 0 449.981 5.028 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222881599 557397399 /nfs/dbraw/zinc/39/73/99/557397399.db2.gz RITGKMNDZIXQJC-DHIUTWEWSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222880598 557397492 /nfs/dbraw/zinc/39/74/92/557397492.db2.gz OLSNNKKXQDERNI-GOTSBHOMSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222881475 557397497 /nfs/dbraw/zinc/39/74/97/557397497.db2.gz RITGKMNDZIXQJC-PKTZIBPZSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222880523 557397502 /nfs/dbraw/zinc/39/75/02/557397502.db2.gz KSYBSAWPDKKONL-ILBGXUMGSA-N 0 0 432.637 5.797 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222882740 557397760 /nfs/dbraw/zinc/39/77/60/557397760.db2.gz QFKJZBUFAPJUTG-ILBGXUMGSA-N 0 0 432.637 5.742 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl ZINC000222919898 557402596 /nfs/dbraw/zinc/40/25/96/557402596.db2.gz UNUAQIFMQZJBMG-GOTSBHOMSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222920236 557402922 /nfs/dbraw/zinc/40/29/22/557402922.db2.gz JABHMNBXAWXYLW-DHIUTWEWSA-N 0 0 439.028 5.771 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 ZINC000222921891 557403140 /nfs/dbraw/zinc/40/31/40/557403140.db2.gz OOUWBKCZBRBBCN-RPWUZVMVSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)ccc1C ZINC000222924470 557403621 /nfs/dbraw/zinc/40/36/21/557403621.db2.gz XIQROCKVNOGWQP-RPBOFIJWSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)ccc1C ZINC000222924517 557403642 /nfs/dbraw/zinc/40/36/42/557403642.db2.gz XIQROCKVNOGWQP-LOSJGSFVSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222925542 557403867 /nfs/dbraw/zinc/40/38/67/557403867.db2.gz GYRSQYSLQWCBQC-AZGAKELHSA-N 0 0 446.664 6.043 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222965164 557408939 /nfs/dbraw/zinc/40/89/39/557408939.db2.gz OKEYUWIUNVVXKE-XZOQPEGZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222964771 557409043 /nfs/dbraw/zinc/40/90/43/557409043.db2.gz DIACPPVACDFESU-GOTSBHOMSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222966867 557409297 /nfs/dbraw/zinc/40/92/97/557409297.db2.gz GBXYAGUTONAEIG-RPWUZVMVSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000222969824 557409491 /nfs/dbraw/zinc/40/94/91/557409491.db2.gz CEETWIJNBKDDCX-JWQCQUIFSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000222968847 557409523 /nfs/dbraw/zinc/40/95/23/557409523.db2.gz YMTHHKILMFZSBF-DQEYMECFSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000222969569 557409536 /nfs/dbraw/zinc/40/95/36/557409536.db2.gz MHEGPEGCIWGXKB-ILBGXUMGSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000222969246 557409556 /nfs/dbraw/zinc/40/95/56/557409556.db2.gz HEZAGMQBZNXQLH-LOSJGSFVSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000033541116 557409592 /nfs/dbraw/zinc/40/95/92/557409592.db2.gz VWYSDYYSBXPXTB-FTNSYOLJSA-N 0 0 433.581 5.602 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000034387675 557417841 /nfs/dbraw/zinc/41/78/41/557417841.db2.gz WRTDUTXRISMHDT-OSZNWEDFSA-N 0 0 437.544 5.433 40 10 IKCBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223031234 557418124 /nfs/dbraw/zinc/41/81/24/557418124.db2.gz MRZKFMSAGUXAQE-YADARESESA-N 0 0 429.004 5.920 40 10 IKCBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223031557 557418531 /nfs/dbraw/zinc/41/85/31/557418531.db2.gz JXUDNXRHARNZMH-VUMVONDWSA-N 0 0 429.004 5.920 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C ZINC000223051986 557421748 /nfs/dbraw/zinc/42/17/48/557421748.db2.gz VPFRECQFFDFVDQ-JWQCQUIFSA-N 0 0 448.636 5.061 40 10 IKCBRN COc1ccc(N2CCN([C@@H](C(=O)c3c(C)[nH]c4ccccc43)c3ccccc3)CC2)cc1 ZINC000014163162 557424822 /nfs/dbraw/zinc/42/48/22/557424822.db2.gz RUDKSBDRSNXUIJ-HHHXNRCGSA-N 0 0 439.559 5.231 40 10 IKCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000014165829 557425294 /nfs/dbraw/zinc/42/52/94/557425294.db2.gz NGBAUQBXUSMAJE-YIGJPRQDSA-N 0 0 449.335 6.370 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cc1 ZINC000223095098 557430600 /nfs/dbraw/zinc/43/06/00/557430600.db2.gz CAUREACGIPCJMG-FTJBHMTQSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C ZINC000223094564 557430627 /nfs/dbraw/zinc/43/06/27/557430627.db2.gz ZLIXWXLEUUZJDC-FTJBHMTQSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F ZINC000223096163 557430830 /nfs/dbraw/zinc/43/08/30/557430830.db2.gz MTJDEEJHPJAJCZ-RPBOFIJWSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O ZINC000223098393 557431022 /nfs/dbraw/zinc/43/10/22/557431022.db2.gz WYLROHGWWMZNCF-JWQCQUIFSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000223096633 557431036 /nfs/dbraw/zinc/43/10/36/557431036.db2.gz FMOYTWQTKSZMLA-JWQCQUIFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(C)ccn1 ZINC000223104854 557431804 /nfs/dbraw/zinc/43/18/04/557431804.db2.gz VKMBHDFUDVGLEW-RPBOFIJWSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ncccc1C ZINC000223105054 557431839 /nfs/dbraw/zinc/43/18/39/557431839.db2.gz LLHYPQHLXHIGOU-DNQXCXABSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cn1 ZINC000223105361 557431998 /nfs/dbraw/zinc/43/19/98/557431998.db2.gz YINWOIPFROXWKK-RPBOFIJWSA-N 0 0 445.636 5.498 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223121017 557434346 /nfs/dbraw/zinc/43/43/46/557434346.db2.gz QTTFCDPUDXDGOA-JWQCQUIFSA-N 0 0 446.620 5.495 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000223131853 557436439 /nfs/dbraw/zinc/43/64/39/557436439.db2.gz DSVXDUYOGOBLOG-UHFFFAOYSA-N 0 0 448.438 5.368 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000223138571 557437847 /nfs/dbraw/zinc/43/78/47/557437847.db2.gz WJCKZGOSJSQBNS-UHFFFAOYSA-N 0 0 448.438 5.368 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000103604803 557439724 /nfs/dbraw/zinc/43/97/24/557439724.db2.gz MRWFJCRXPLMBCN-JBTTYCITSA-N 0 0 441.354 5.024 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406563 557443528 /nfs/dbraw/zinc/44/35/28/557443528.db2.gz KJFFSPNULKTUIA-MOHJPFBDSA-N 0 0 425.484 5.746 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 ZINC000014406652 557443889 /nfs/dbraw/zinc/44/38/89/557443889.db2.gz PFSDTZHFYRMDKS-UYRXBGFRSA-N 0 0 441.911 5.015 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414513 557445592 /nfs/dbraw/zinc/44/55/92/557445592.db2.gz LXSYUYUGZJRVIV-ULJHMMPZSA-N 0 0 425.484 5.665 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014479783 557447065 /nfs/dbraw/zinc/44/70/65/557447065.db2.gz OCEHKAHXCNSBAU-CLCZQPDDSA-N 0 0 444.600 6.239 40 10 IKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480440 557447076 /nfs/dbraw/zinc/44/70/76/557447076.db2.gz QJOMMBHILLUQBH-PPJWLVRDSA-N 0 0 446.572 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C)c1 ZINC000223343413 557460615 /nfs/dbraw/zinc/46/06/15/557460615.db2.gz JNDNEBRWYLUNFX-RPBOFIJWSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cc1 ZINC000223343675 557460633 /nfs/dbraw/zinc/46/06/33/557460633.db2.gz JUZDLMWYDHIEPW-RPBOFIJWSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cc1 ZINC000223343624 557460640 /nfs/dbraw/zinc/46/06/40/557460640.db2.gz JUZDLMWYDHIEPW-JWQCQUIFSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000223458199 557474689 /nfs/dbraw/zinc/47/46/89/557474689.db2.gz POESCYLHAQPPMQ-DQEYMECFSA-N 0 0 439.588 5.057 40 10 IKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000017096491 557476638 /nfs/dbraw/zinc/47/66/38/557476638.db2.gz OOMVJAMGIJZDDR-ULJHMMPZSA-N 0 0 429.495 5.534 40 10 IKCBRN CC(NCc1cccs1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017097075 557478180 /nfs/dbraw/zinc/47/81/80/557478180.db2.gz KPZGRENETXWJKU-HKWRFOASSA-N 0 0 430.558 5.173 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 ZINC000223495588 557479213 /nfs/dbraw/zinc/47/92/13/557479213.db2.gz KJRPABGUPCLSIR-XKZIYDEJSA-N 0 0 449.982 5.843 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cccc3ccccc32)cc1 ZINC000017098458 557481228 /nfs/dbraw/zinc/48/12/28/557481228.db2.gz ZCVHZFFJOMOLSL-XHPQRKPJSA-N 0 0 433.511 5.985 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223518845 557481770 /nfs/dbraw/zinc/48/17/70/557481770.db2.gz WHLUMJYIRVTVIC-OYKKKHCWSA-N 0 0 446.616 6.642 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223521087 557481971 /nfs/dbraw/zinc/48/19/71/557481971.db2.gz DFLYMZBJJFVMPQ-QRVIBDJDSA-N 0 0 447.554 5.637 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000223533480 557482832 /nfs/dbraw/zinc/48/28/32/557482832.db2.gz RAIXEFYTPFWZBP-JWQCQUIFSA-N 0 0 439.588 5.057 40 10 IKCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223562121 557486270 /nfs/dbraw/zinc/48/62/70/557486270.db2.gz POMVDIQAMVGMLL-YODDIOPGSA-N 0 0 444.597 5.175 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223565536 557486859 /nfs/dbraw/zinc/48/68/59/557486859.db2.gz KVZZZKBGMQGYOL-PVFDWLMNSA-N 0 0 434.605 6.424 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223568084 557487012 /nfs/dbraw/zinc/48/70/12/557487012.db2.gz KCTULTQTRJKSIE-RIWZNOJBSA-N 0 0 435.543 5.419 40 10 IKCBRN CC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017102621 557491254 /nfs/dbraw/zinc/49/12/54/557491254.db2.gz LMJJOUCZETZFFJ-NKFKGCMQSA-N 0 0 438.556 5.154 40 10 IKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223610835 557491556 /nfs/dbraw/zinc/49/15/56/557491556.db2.gz UZDNCHARNPYWDT-KJJXXWTESA-N 0 0 444.597 5.093 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223613453 557491849 /nfs/dbraw/zinc/49/18/49/557491849.db2.gz PIECXKZCPLFOBZ-NLKUQUHMSA-N 0 0 434.605 6.737 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223614247 557492023 /nfs/dbraw/zinc/49/20/23/557492023.db2.gz HKJZHWXWEIXSJG-QCYAWUEASA-N 0 0 448.632 6.732 40 10 IKCBRN Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000223617543 557492492 /nfs/dbraw/zinc/49/24/92/557492492.db2.gz QCPIVUZXFBHZHP-CFKHXJFWSA-N 0 0 445.607 5.897 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223617329 557492497 /nfs/dbraw/zinc/49/24/97/557492497.db2.gz GTDCYBMYHICMSH-VLZFXTDASA-N 0 0 449.570 5.728 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223617409 557492532 /nfs/dbraw/zinc/49/25/32/557492532.db2.gz PJCXPAVWPKEIOD-QRAWFLTRSA-N 0 0 449.570 5.728 40 10 IKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(N(C)C)cc2)cc1 ZINC000019325735 557498740 /nfs/dbraw/zinc/49/87/40/557498740.db2.gz XFXOUGQYXWAHCL-UHFFFAOYSA-N 0 0 445.607 5.177 40 10 IKCBRN CC(Nc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000019642591 557504117 /nfs/dbraw/zinc/50/41/17/557504117.db2.gz ZCLBGOKGERLJHC-QNGOZBTKSA-N 0 0 444.947 6.087 40 10 IKCBRN CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000019645381 557504867 /nfs/dbraw/zinc/50/48/67/557504867.db2.gz QNJWVKIZDKZJDF-JWGURIENSA-N 0 0 446.894 5.694 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 ZINC000223855324 557521382 /nfs/dbraw/zinc/52/13/82/557521382.db2.gz LMKPJWBWRDINOD-DQEYMECFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 ZINC000223878772 557524544 /nfs/dbraw/zinc/52/45/44/557524544.db2.gz WJLXYELDRCLEDC-BJKOFHAPSA-N 0 0 426.545 5.063 40 10 IKCBRN Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000004048159 557530684 /nfs/dbraw/zinc/53/06/84/557530684.db2.gz MWPIHIXYMYKFQK-LXIYXOSZSA-N 0 0 442.127 6.425 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 ZINC000224156967 557567826 /nfs/dbraw/zinc/56/78/26/557567826.db2.gz DNLKMAIQSPYVTK-DNQXCXABSA-N 0 0 425.561 5.061 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000224163907 557569132 /nfs/dbraw/zinc/56/91/32/557569132.db2.gz OVLHSRHEXLTFRW-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000224164036 557569179 /nfs/dbraw/zinc/56/91/79/557569179.db2.gz PVXZIHITBWVNLF-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O ZINC000224167121 557569630 /nfs/dbraw/zinc/56/96/30/557569630.db2.gz VKPGTMZADCGZHG-RPBOFIJWSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O ZINC000224167170 557569647 /nfs/dbraw/zinc/56/96/47/557569647.db2.gz VKPGTMZADCGZHG-LOSJGSFVSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O ZINC000224167220 557569675 /nfs/dbraw/zinc/56/96/75/557569675.db2.gz VKPGTMZADCGZHG-DQEYMECFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000224173494 557570376 /nfs/dbraw/zinc/57/03/76/557570376.db2.gz GRKOGMFTGBWNJK-RPBOFIJWSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000224173115 557570437 /nfs/dbraw/zinc/57/04/37/557570437.db2.gz ZZWGGCOAFKCPJD-DQEYMECFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ncccc1C ZINC000224173305 557570453 /nfs/dbraw/zinc/57/04/53/557570453.db2.gz GDWQXUNQNSZGPO-BJKOFHAPSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000224173605 557570465 /nfs/dbraw/zinc/57/04/65/557570465.db2.gz GRKOGMFTGBWNJK-DQEYMECFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000224227547 557577870 /nfs/dbraw/zinc/57/78/70/557577870.db2.gz DQDLFASGBLWHCF-JWQCQUIFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000224285357 557585854 /nfs/dbraw/zinc/58/58/54/557585854.db2.gz HKKLHOSDHKERKM-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000027832157 557589421 /nfs/dbraw/zinc/58/94/21/557589421.db2.gz NEDHNHXDHHHXOP-PXLXIMEGSA-N 0 0 447.332 5.834 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000224320416 557591132 /nfs/dbraw/zinc/59/11/32/557591132.db2.gz XAFDEBNAFKUTBO-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000224352888 557596805 /nfs/dbraw/zinc/59/68/05/557596805.db2.gz VOWYOMNCXVSCQA-IZZNHLLZSA-N 0 0 438.600 5.920 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000224392196 557600967 /nfs/dbraw/zinc/60/09/67/557600967.db2.gz NFUUQZXLZJMQBZ-RPWUZVMVSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000224397805 557601597 /nfs/dbraw/zinc/60/15/97/557601597.db2.gz ULXOVFQSZBRNTE-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 ZINC000224431011 557605666 /nfs/dbraw/zinc/60/56/66/557605666.db2.gz ZSHRWRZCWPLUOL-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 ZINC000224550650 557621245 /nfs/dbraw/zinc/62/12/45/557621245.db2.gz CORXCINIKYYGPJ-LOSJGSFVSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F ZINC000225014927 557678129 /nfs/dbraw/zinc/67/81/29/557678129.db2.gz JZYUENJIAFUBIK-DNQXCXABSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 ZINC000225016754 557678263 /nfs/dbraw/zinc/67/82/63/557678263.db2.gz XXJLEYCFGDGBRP-BJKOFHAPSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O ZINC000225016620 557678287 /nfs/dbraw/zinc/67/82/87/557678287.db2.gz VIDHFZHLDJDYNA-ZEQRLZLVSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O ZINC000225016516 557678303 /nfs/dbraw/zinc/67/83/03/557678303.db2.gz VIDHFZHLDJDYNA-DNQXCXABSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1C ZINC000225018394 557678491 /nfs/dbraw/zinc/67/84/91/557678491.db2.gz COLWLRWQWTZKMQ-FTJBHMTQSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccc1C ZINC000225018572 557678665 /nfs/dbraw/zinc/67/86/65/557678665.db2.gz SWLLFWJCRCULBX-FTJBHMTQSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ncccc1C ZINC000225020944 557678681 /nfs/dbraw/zinc/67/86/81/557678681.db2.gz CGNMWBTYJQLEOP-DHIUTWEWSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cn1 ZINC000225021226 557678956 /nfs/dbraw/zinc/67/89/56/557678956.db2.gz LPKZYNGEFPSGPW-ZEQRLZLVSA-N 0 0 431.609 5.108 40 10 IKCBRN FC(F)(F)c1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225416578 557720610 /nfs/dbraw/zinc/72/06/10/557720610.db2.gz DFHPHAGEMJCJNP-UHFFFAOYSA-N 0 0 427.923 5.836 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000225656352 557757696 /nfs/dbraw/zinc/75/76/96/557757696.db2.gz XOAWCZQXEDYXKC-LJQANCHMSA-N 0 0 439.625 5.456 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225655959 557757703 /nfs/dbraw/zinc/75/77/03/557757703.db2.gz VSTIHRFCNSQKRK-INIZCTEOSA-N 0 0 446.016 5.411 40 10 IKCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c2cccnc12 ZINC000225657809 557757817 /nfs/dbraw/zinc/75/78/17/557757817.db2.gz FAHTWXYEUJQQBD-SFHVURJKSA-N 0 0 434.609 5.527 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664166 557759149 /nfs/dbraw/zinc/75/91/49/557759149.db2.gz RFTMRJIMYRTGSI-AWEZNQCLSA-N 0 0 441.950 6.397 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225664991 557759387 /nfs/dbraw/zinc/75/93/87/557759387.db2.gz BTEAKRNAKQFLKX-OAHLLOKOSA-N 0 0 431.989 5.165 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000225665471 557759549 /nfs/dbraw/zinc/75/95/49/557759549.db2.gz VCRXJEYRNKMNKH-GOSISDBHSA-N 0 0 425.598 5.210 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667854 557759882 /nfs/dbraw/zinc/75/98/82/557759882.db2.gz 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CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1Cl ZINC000225696222 557765569 /nfs/dbraw/zinc/76/55/69/557765569.db2.gz XSSIOXNFOZMSHP-HNNXBMFYSA-N 0 0 431.989 5.165 40 10 IKCBRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl ZINC000225696168 557765619 /nfs/dbraw/zinc/76/56/19/557765619.db2.gz POPROWKTNYZYJO-HNNXBMFYSA-N 0 0 431.989 5.165 40 10 IKCBRN CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225986082 557799340 /nfs/dbraw/zinc/79/93/40/557799340.db2.gz IGKWIEKGVWBNIY-UHFFFAOYSA-N 0 0 434.971 6.066 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000033707058 557809101 /nfs/dbraw/zinc/80/91/01/557809101.db2.gz LOCJRSRMXCMUPP-HYARGMPZSA-N 0 0 434.948 6.310 40 10 IKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000058848885 557811830 /nfs/dbraw/zinc/81/18/30/557811830.db2.gz PNDBLSLENAVWPN-LZCXECNNSA-N 0 0 446.572 5.631 40 10 IKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058847350 557811840 /nfs/dbraw/zinc/81/18/40/557811840.db2.gz GJBOBNXMAAYMGZ-YZUZCNPQSA-N 0 0 436.964 5.967 40 10 IKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 ZINC000058849953 557811866 /nfs/dbraw/zinc/81/18/66/557811866.db2.gz HNLMZLWLGPCGPT-YZUZCNPQSA-N 0 0 447.516 5.222 40 10 IKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c1 ZINC000058848693 557811912 /nfs/dbraw/zinc/81/19/12/557811912.db2.gz XMRKTAGBFHLURM-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc(Cl)c3)N4)sc2c1 ZINC000058851130 557812171 /nfs/dbraw/zinc/81/21/71/557812171.db2.gz FJVVAYBFZGBYBX-RNHFSVANSA-N 0 0 428.988 7.752 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc5ccccc53)N4)sc2c1 ZINC000058851103 557812191 /nfs/dbraw/zinc/81/21/91/557812191.db2.gz IYYDNRKJBUXULP-VTYUZOFQSA-N 0 0 444.603 8.251 40 10 IKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000058865983 557812336 /nfs/dbraw/zinc/81/23/36/557812336.db2.gz ABOBYLNRZWIIPO-UHFFFAOYSA-N 0 0 433.287 5.326 40 10 IKCBRN Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000058866082 557812376 /nfs/dbraw/zinc/81/23/76/557812376.db2.gz CTVJXRRMROGVJR-UHFFFAOYSA-N 0 0 427.500 5.515 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845663 557812785 /nfs/dbraw/zinc/81/27/85/557812785.db2.gz CYSJGQWZYSGVQS-VVZHRXSXSA-N 0 0 430.573 5.931 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1 ZINC000058845906 557813092 /nfs/dbraw/zinc/81/30/92/557813092.db2.gz IMCSHUNNPVJYOZ-PPJWLVRDSA-N 0 0 430.573 5.931 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845840 557813105 /nfs/dbraw/zinc/81/31/05/557813105.db2.gz LCTBMBOSNPUQBY-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000058846052 557813130 /nfs/dbraw/zinc/81/31/30/557813130.db2.gz BYBYTVNQVDAKQP-QHWMMSMNSA-N 0 0 444.600 6.185 40 10 IKCBRN COc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928603 557813280 /nfs/dbraw/zinc/81/32/80/557813280.db2.gz OWAPDSCDWDPPMO-UFPGJGBJSA-N 0 0 431.963 7.063 40 10 IKCBRN O=C1C(=Cc2cccn2-c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059249930 557819158 /nfs/dbraw/zinc/81/91/58/557819158.db2.gz NRFLRYSLJIINNQ-UHFFFAOYSA-N 0 0 433.467 5.061 40 10 IKCBRN O=C1C(=Cc2c(O)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059391349 557822299 /nfs/dbraw/zinc/82/22/99/557822299.db2.gz NBGVXHRIQZCGKR-UHFFFAOYSA-N 0 0 434.451 5.129 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000059484895 557825428 /nfs/dbraw/zinc/82/54/28/557825428.db2.gz XDAFGLONLICQKX-JJIBRWJFSA-N 0 0 448.478 5.437 40 10 IKCBRN Cc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000059484911 557825462 /nfs/dbraw/zinc/82/54/62/557825462.db2.gz 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CCCCOc1ccccc1/C=C1\SC(=S)N(c2cc(OC)ccc2OC)C1=O ZINC000027563835 568863978 /nfs/dbraw/zinc/86/39/78/568863978.db2.gz OWVRKPODABAQBE-MOSHPQCFSA-N 0 0 429.563 5.289 40 10 IKCBRN CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000002667759 569125756 /nfs/dbraw/zinc/12/57/56/569125756.db2.gz UVEGBIZWFAODTK-VWLOTQADSA-N 0 0 443.543 6.352 40 10 IKCBRN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000226093398 569182939 /nfs/dbraw/zinc/18/29/39/569182939.db2.gz WKJMWMVOJFMQPW-VGOFMYFVSA-N 0 0 426.744 5.214 40 10 IKCBRN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226782334 569182974 /nfs/dbraw/zinc/18/29/74/569182974.db2.gz ALUHAIVAFPIWOB-WOIUINJBSA-N 0 0 425.370 5.758 40 10 IKCBRN COc1ccc(-c2csc(=Nc3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001466364 569212399 /nfs/dbraw/zinc/21/23/99/569212399.db2.gz QKZRRGSYSBVQHQ-QHCPKHFHSA-O 0 0 448.524 5.097 40 10 IKCBRN COc1cc(C)c(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1C(C)C ZINC000008333887 569218899 /nfs/dbraw/zinc/21/88/99/569218899.db2.gz BICFBNKBFYLVEB-QFIPXVFZSA-N 0 0 427.635 5.531 40 10 IKCBRN COc1cc(C)c(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1C(C)C ZINC000008333858 569218912 /nfs/dbraw/zinc/21/89/12/569218912.db2.gz BICFBNKBFYLVEB-JOCHJYFZSA-N 0 0 427.635 5.531 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(OC)c1OC ZINC000060512485 569249859 /nfs/dbraw/zinc/24/98/59/569249859.db2.gz BVCQGKXZDPMMEG-MOSHPQCFSA-N 0 0 437.542 5.271 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000144203024 569255045 /nfs/dbraw/zinc/25/50/45/569255045.db2.gz VPXNXWWKMUFFHE-MTJSOVHGSA-N 0 0 433.489 5.552 40 10 IKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C ZINC000144231083 569255049 /nfs/dbraw/zinc/25/50/49/569255049.db2.gz FULMSTYSRZWCEG-MTJSOVHGSA-N 0 0 449.488 5.252 40 10 IKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000144225649 569255051 /nfs/dbraw/zinc/25/50/51/569255051.db2.gz 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CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000039132433 569260315 /nfs/dbraw/zinc/26/03/15/569260315.db2.gz AYGUXTLONHGMCI-CJLVFECKSA-N 0 0 432.907 5.582 40 10 IKCBRN Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000039556237 569260353 /nfs/dbraw/zinc/26/03/53/569260353.db2.gz VEMRQMMCOVBZEX-HZHRSRAPSA-N 0 0 441.918 5.749 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000040006130 569260391 /nfs/dbraw/zinc/26/03/91/569260391.db2.gz DKQUCDMEPFBVFS-MTJSOVHGSA-N 0 0 445.581 5.661 40 10 IKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000096504993 569260456 /nfs/dbraw/zinc/26/04/56/569260456.db2.gz AEJBYWUHPNJSIL-XQNSMLJCSA-N 0 0 446.597 5.737 40 10 IKCBRN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000107860443 569260681 /nfs/dbraw/zinc/26/06/81/569260681.db2.gz UKZBVGNFYULCNM-JLPGSUDCSA-N 0 0 444.556 6.055 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000107998093 569260687 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448.529 5.141 40 10 IKCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000041083531 525345681 /nfs/dbraw/zinc/34/56/81/525345681.db2.gz BJTBUAJFOKDNGM-FZAWDKCWSA-N 0 0 445.573 5.187 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000041082954 526083069 /nfs/dbraw/zinc/08/30/69/526083069.db2.gz NSIOGGRBQCULCL-RKQNKVCSSA-N 0 0 433.581 5.376 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(Cl)c(Cl)c1 ZINC000012428923 526945731 /nfs/dbraw/zinc/94/57/31/526945731.db2.gz CFHGESWLGSMTPF-VIZOYTHASA-N 0 0 440.333 5.172 40 10 IKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000035646423 527044134 /nfs/dbraw/zinc/04/41/34/527044134.db2.gz JLRLGPHLKVEXCE-WQRHYEAKSA-N 0 0 441.306 5.497 40 10 IKCBRN Nc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000012644936 527474716 /nfs/dbraw/zinc/47/47/16/527474716.db2.gz FEPSQAQTFNVQPY-UHFFFAOYSA-N 0 0 425.717 5.119 40 10 IKCBRN COc1ccc(N2CCN(C(=S)c3cccc(OCc4ccc(C)cc4)c3)CC2)cc1 ZINC000009188020 536692396 /nfs/dbraw/zinc/69/23/96/536692396.db2.gz RPLRWWITXHLJKW-UHFFFAOYSA-N 0 0 432.589 5.080 40 10 IKCBRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1c3ccccn3c3c1C(=O)c1ccccc1C3=O)C2 ZINC000009494901 555576860 /nfs/dbraw/zinc/57/68/60/555576860.db2.gz LBLNXFXDMUUCNF-BKVQYAJGSA-N 0 0 427.500 5.086 40 10 IKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(F)c1 ZINC000001182872 555672838 /nfs/dbraw/zinc/67/28/38/555672838.db2.gz LNOMMIXEZYCDCY-GZTJUZNOSA-N 0 0 434.945 5.099 40 10 IKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000001183168 555672851 /nfs/dbraw/zinc/67/28/51/555672851.db2.gz RIZARXSIHWTTMI-KGENOOAVSA-N 0 0 432.570 5.378 40 10 IKCBRN CCC(c1ccc(N(CC)CC)cc1[N+](=O)[O-])c1ccc(N(CC)CC)cc1[N+](=O)[O-] ZINC000001678777 555709262 /nfs/dbraw/zinc/70/92/62/555709262.db2.gz WGMVVKURIQFMPX-UHFFFAOYSA-N 0 0 428.533 5.737 40 10 IKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000408535857 555756242 /nfs/dbraw/zinc/75/62/42/555756242.db2.gz XNCXXUYBJKKBOV-HAHDFKILSA-N 0 0 447.650 7.169 40 10 IKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC ZINC000002259382 555763159 /nfs/dbraw/zinc/76/31/59/555763159.db2.gz SWGHJPVHYDIAPY-OVCLIPMQSA-N 0 0 426.346 5.416 40 10 IKCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1c(C)cc(Br)cc1C ZINC000408537038 555768010 /nfs/dbraw/zinc/76/80/10/555768010.db2.gz YVNVZPIRDCCQHF-YVLHZVERSA-N 0 0 432.749 5.746 40 10 IKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000408536516 555772351 /nfs/dbraw/zinc/77/23/51/555772351.db2.gz WQOBQHLOYQLUII-PKAZHMFMSA-N 0 0 439.603 6.490 40 10 IKCBRN COC(=O)c1cccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 ZINC000408545066 555793751 /nfs/dbraw/zinc/79/37/51/555793751.db2.gz YWUVXTPDLQTFIA-PCLIKHOPSA-N 0 0 449.510 5.282 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S ZINC000002852237 555839877 /nfs/dbraw/zinc/83/98/77/555839877.db2.gz ZQJGKHCEZJBMEB-JCMHNJIXSA-N 0 0 436.602 5.640 40 10 IKCBRN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cccc(Br)c2)cc1 ZINC000003117895 555888541 /nfs/dbraw/zinc/88/85/41/555888541.db2.gz ZUOSXQVXOMKUSU-UHFFFAOYSA-N 0 0 439.353 5.492 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1C ZINC000003768730 555945972 /nfs/dbraw/zinc/94/59/72/555945972.db2.gz ZIUIATGJJZHONR-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN Ic1ccc(/N=N/c2ccc(I)cc2)cc1 ZINC000004552048 556000816 /nfs/dbraw/zinc/00/08/16/556000816.db2.gz FHSRQGXDVXFRHU-FOCLMDBBSA-N 0 0 434.018 5.311 40 10 IKCBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc54)cc3)CC2=O)cc1 ZINC000408641094 556017240 /nfs/dbraw/zinc/01/72/40/556017240.db2.gz JQJQASUWGCQJJL-OAQYLSRUSA-N 0 0 436.511 5.932 40 10 IKCBRN Cc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4cc(C)cc(C)c4)c2C3=O)c(C)c1 ZINC000005011859 556028227 /nfs/dbraw/zinc/02/82/27/556028227.db2.gz GXOCWTHFTKVSDQ-UHFFFAOYSA-N 0 0 446.550 7.183 40 10 IKCBRN Cc1ccc(Nc2ccc(Nc3ccc(CCO)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000005124959 556033229 /nfs/dbraw/zinc/03/32/29/556033229.db2.gz GAMOYLWAZLBHAV-UHFFFAOYSA-N 0 0 448.522 5.792 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1 ZINC000006630090 556098829 /nfs/dbraw/zinc/09/88/29/556098829.db2.gz QVRQGTGONVCXMC-UHFFFAOYSA-N 0 0 427.548 6.717 40 10 IKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000035624714 556167052 /nfs/dbraw/zinc/16/70/52/556167052.db2.gz HAJWDEVEVIJIKA-ZDLGFXPLSA-N 0 0 449.746 6.989 40 10 IKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000035624250 556167114 /nfs/dbraw/zinc/16/71/14/556167114.db2.gz PSBYRURCPADVCG-VGOFMYFVSA-N 0 0 443.764 5.193 40 10 IKCBRN S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCCC1 ZINC000408735806 556202779 /nfs/dbraw/zinc/20/27/79/556202779.db2.gz XATXQIPZXPCRMI-UHFFFAOYSA-N 0 0 437.568 6.629 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000035646657 556204411 /nfs/dbraw/zinc/20/44/11/556204411.db2.gz MYQYGWNDLUFHFF-MOSHPQCFSA-N 0 0 435.461 5.336 40 10 IKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc2ccccc21 ZINC000008765637 556212313 /nfs/dbraw/zinc/21/23/13/556212313.db2.gz VJOVALZFMYLQGJ-ZHZULCJRSA-N 0 0 436.533 5.209 40 10 IKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008819073 556218434 /nfs/dbraw/zinc/21/84/34/556218434.db2.gz CVUUFWOIJZEKEG-VCHYOVAHSA-N 0 0 449.746 6.989 40 10 IKCBRN COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000008819662 556219270 /nfs/dbraw/zinc/21/92/70/556219270.db2.gz BUWWGXRLYNDYFF-SILNSSARSA-N 0 0 440.590 5.096 40 10 IKCBRN CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000008819785 556219461 /nfs/dbraw/zinc/21/94/61/556219461.db2.gz FZRQIQAGKYLRCQ-HTNUNKGTSA-N 0 0 444.666 5.548 40 10 IKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2ccccc2c1 ZINC000008820439 556220443 /nfs/dbraw/zinc/22/04/43/556220443.db2.gz CJSPCDBEINHSEF-YEJNLHJGSA-N 0 0 444.581 5.626 40 10 IKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 ZINC000008820423 556220464 /nfs/dbraw/zinc/22/04/64/556220464.db2.gz GYDZVLFFYOXXDZ-KGTQDBRDSA-N 0 0 428.966 5.126 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)NC2CCCCC2)C1=O ZINC000008820577 556220780 /nfs/dbraw/zinc/22/07/80/556220780.db2.gz QAFZHHXBCNEKDU-KBWOEQRPSA-N 0 0 428.623 5.063 40 10 IKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)c1 ZINC000008821407 556222543 /nfs/dbraw/zinc/22/25/43/556222543.db2.gz XZQUAIRRTAIKHW-UDWIEESQSA-N 0 0 439.945 6.208 40 10 IKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 ZINC000008821425 556222768 /nfs/dbraw/zinc/22/27/68/556222768.db2.gz XUEDVJWQBLOINV-UDWIEESQSA-N 0 0 425.962 6.623 40 10 IKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 ZINC000008821500 556222839 /nfs/dbraw/zinc/22/28/39/556222839.db2.gz VXVHHJBSKDGXCS-UDWIEESQSA-N 0 0 436.514 5.877 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 ZINC000008821574 556223111 /nfs/dbraw/zinc/22/31/11/556223111.db2.gz VUCYRFHUXDFNPI-AQTBWJFISA-N 0 0 432.408 6.198 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cccc(OCc4ccc(C)cc4)c3)S2)cc1 ZINC000008821729 556223683 /nfs/dbraw/zinc/22/36/83/556223683.db2.gz DLMRJPGIIPXXHU-JLPGSUDCSA-N 0 0 428.557 6.219 40 10 IKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc21 ZINC000008861550 556228368 /nfs/dbraw/zinc/22/83/68/556228368.db2.gz QEBKDCZSXXIRCS-ONUIUJJFSA-N 0 0 448.522 6.234 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(C(C)(C)C)c1O ZINC000009188337 556250784 /nfs/dbraw/zinc/25/07/84/556250784.db2.gz FYMLIGKJKIKJGW-PWDRBQJJSA-N 0 0 433.639 5.367 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O ZINC000009188532 556251119 /nfs/dbraw/zinc/25/11/19/556251119.db2.gz KPFMHRKZAHZGPU-UYRXBGFRSA-N 0 0 443.609 6.532 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1 ZINC000009188484 556251124 /nfs/dbraw/zinc/25/11/24/556251124.db2.gz SGORHIQDBFTNPV-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000009188466 556251172 /nfs/dbraw/zinc/25/11/72/556251172.db2.gz JQENORCCOAJKOR-HAHDFKILSA-N 0 0 447.581 5.988 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)cc1 ZINC000009188704 556251667 /nfs/dbraw/zinc/25/16/67/556251667.db2.gz MBPACUYLEBHRNQ-UZXDDYOISA-N 0 0 445.609 6.536 40 10 IKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000036080623 556271435 /nfs/dbraw/zinc/27/14/35/556271435.db2.gz QYAKTPFKKUUNKH-UMFSSWHCSA-N 0 0 428.488 6.009 40 10 IKCBRN COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000036080625 556271446 /nfs/dbraw/zinc/27/14/46/556271446.db2.gz FFSLDVNTDDGJER-UFPGJGBJSA-N 0 0 447.962 6.763 40 10 IKCBRN CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000009444636 556292518 /nfs/dbraw/zinc/29/25/18/556292518.db2.gz KDUFMVAFFJQHFS-XMHGGMMESA-N 0 0 445.009 5.523 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000214621122 556338030 /nfs/dbraw/zinc/33/80/30/556338030.db2.gz NWVOQTZIPSBVQJ-LPYMAVHISA-N 0 0 436.964 6.292 40 10 IKCBRN COc1cc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(Br)c1O ZINC000014406361 556415499 /nfs/dbraw/zinc/41/54/99/556415499.db2.gz SCDQZZALPCKFNH-ODLFYWEKSA-N 0 0 449.300 5.812 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C ZINC000408875619 556465293 /nfs/dbraw/zinc/46/52/93/556465293.db2.gz KSWQDZOACOPMGT-XKZIYDEJSA-N 0 0 436.964 6.292 40 10 IKCBRN COc1cccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)c1OC ZINC000408879216 556470673 /nfs/dbraw/zinc/47/06/73/556470673.db2.gz BINQNCWLIJUMKQ-ITNZAGEZSA-N 0 0 437.495 5.306 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408883647 556473070 /nfs/dbraw/zinc/47/30/70/556473070.db2.gz VUQMTIUITYTAIR-NVNXTCNLSA-N 0 0 440.771 5.170 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408901455 556487048 /nfs/dbraw/zinc/48/70/48/556487048.db2.gz FHTSNLUQCORHGZ-RNEAKCBISA-N 0 0 448.407 6.032 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408902173 556488861 /nfs/dbraw/zinc/48/88/61/556488861.db2.gz LJEKKVUBXLZLDS-LFVJCYFKSA-N 0 0 440.593 6.653 40 10 IKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408902202 556488892 /nfs/dbraw/zinc/48/88/92/556488892.db2.gz LTLZGRNFRFAZHO-LFVJCYFKSA-N 0 0 439.946 6.458 40 10 IKCBRN CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408904150 556492039 /nfs/dbraw/zinc/49/20/39/556492039.db2.gz FNUIYUIAPXHMQM-BGARDKSCSA-N 0 0 443.341 5.441 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000408904143 556492086 /nfs/dbraw/zinc/49/20/86/556492086.db2.gz FLFWNXPUSZKQFL-NLRVBDNBSA-N 0 0 432.523 6.533 40 10 IKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000013547611 556514151 /nfs/dbraw/zinc/51/41/51/556514151.db2.gz XWMVGOJGEGELAN-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)O2)cc1 ZINC000408757548 556518896 /nfs/dbraw/zinc/51/88/96/556518896.db2.gz ZQDGBYZMUCEMES-MOSHPQCFSA-N 0 0 430.460 5.382 40 10 IKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc32)S1 ZINC000032110012 556530672 /nfs/dbraw/zinc/53/06/72/556530672.db2.gz SKDXCDDFOFEHCL-CIAFOILYSA-N 0 0 436.920 5.179 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000408936566 556536819 /nfs/dbraw/zinc/53/68/19/556536819.db2.gz GQZUOSABAXJMLX-PXLXIMEGSA-N 0 0 430.891 5.361 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C ZINC000408960260 556563091 /nfs/dbraw/zinc/56/30/91/556563091.db2.gz KIZAWEIYUUMJBQ-UCQKPKSFSA-N 0 0 448.563 6.341 40 10 IKCBRN O=C1/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408968621 556577272 /nfs/dbraw/zinc/57/72/72/556577272.db2.gz AJZZLSSZAFQKGK-PTNGSMBKSA-N 0 0 445.328 5.342 40 10 IKCBRN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000408970001 556583125 /nfs/dbraw/zinc/58/31/25/556583125.db2.gz YKYDGWHDYILOND-PDGQHHTCSA-N 0 0 430.813 6.257 40 10 IKCBRN CCn1c2ccccc2c2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)ccc21 ZINC000408970756 556590932 /nfs/dbraw/zinc/59/09/32/556590932.db2.gz DFOHMPUBUWUXOK-HKWRFOASSA-N 0 0 433.433 6.163 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1 ZINC000016292354 556598073 /nfs/dbraw/zinc/59/80/73/556598073.db2.gz PWESAKXJHZQKDQ-IWIPYMOSSA-N 0 0 445.609 6.284 40 10 IKCBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000016292257 556598100 /nfs/dbraw/zinc/59/81/00/556598100.db2.gz LBMRWEYIRAWNNX-YVLHZVERSA-N 0 0 434.380 5.168 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1 ZINC000016292721 556598501 /nfs/dbraw/zinc/59/85/01/556598501.db2.gz FXKNPIPKPHZWQI-JCMHNJIXSA-N 0 0 437.524 5.225 40 10 IKCBRN Cc1c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cccc1[N+](=O)[O-] ZINC000408973085 556611830 /nfs/dbraw/zinc/61/18/30/556611830.db2.gz YNGUWULYOVZVJO-ATVHPVEESA-N 0 0 441.365 5.512 40 10 IKCBRN O=C(Nc1cccc(Cl)c1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000016525551 556614014 /nfs/dbraw/zinc/61/40/14/556614014.db2.gz JWTFIOUUOIEXKH-UHFFFAOYSA-N 0 0 433.898 6.995 40 10 IKCBRN O=C(c1ccccc1F)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000016525756 556614428 /nfs/dbraw/zinc/61/44/28/556614428.db2.gz OOTJFBPNNJQGAZ-HMAPJEAMSA-N 0 0 443.524 6.174 40 10 IKCBRN Cc1cc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)c(C)n1-c1ccccc1 ZINC000408975179 556615651 /nfs/dbraw/zinc/61/56/51/556615651.db2.gz IXWXJPNRAPYGEZ-HXUWFJFHSA-N 0 0 432.574 5.530 40 10 IKCBRN COc1cc(C(=O)Nc2ccc3nc4ccc5ccccc5c4nc3c2)cc(OC)c1OC ZINC000408975518 556615681 /nfs/dbraw/zinc/61/56/81/556615681.db2.gz MJNRGUVPJODASJ-UHFFFAOYSA-N 0 0 439.471 5.214 40 10 IKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408974901 556615682 /nfs/dbraw/zinc/61/56/82/556615682.db2.gz FFHUTNOVMIVBPM-YBFXNURJSA-N 0 0 431.706 6.713 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1 ZINC000016678604 556623502 /nfs/dbraw/zinc/62/35/02/556623502.db2.gz QJCFZVKCPVJTTM-UHFFFAOYSA-N 0 0 435.527 6.747 40 10 IKCBRN O=C1/C(=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000016779300 556641003 /nfs/dbraw/zinc/64/10/03/556641003.db2.gz AEGRPEZBLVBOQF-QDGQABMHSA-N 0 0 435.570 5.127 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccccc3)cc(Cl)c2O)c2ccccc12 ZINC000016779681 556641320 /nfs/dbraw/zinc/64/13/20/556641320.db2.gz STJTXCQQIJZBAX-UHFFFAOYSA-N 0 0 426.925 5.407 40 10 IKCBRN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 ZINC000016779662 556641356 /nfs/dbraw/zinc/64/13/56/556641356.db2.gz QZRZFYYXXRJXRG-UHFFFAOYSA-N 0 0 436.533 5.071 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)cc2O)c2ccccc12 ZINC000016779655 556641389 /nfs/dbraw/zinc/64/13/89/556641389.db2.gz WWCDSKSBUBMTAR-UHFFFAOYSA-N 0 0 440.952 5.716 40 10 IKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1cc(Br)ccc1Br ZINC000016951213 556649904 /nfs/dbraw/zinc/64/99/04/556649904.db2.gz KXAHSLBDCIQVNT-VHXPQNKSSA-N 0 0 447.134 5.975 40 10 IKCBRN CCOc1cc(Br)c(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1O ZINC000013914615 556662086 /nfs/dbraw/zinc/66/20/86/556662086.db2.gz INMVOCPSSUDHJW-NVNXTCNLSA-N 0 0 435.705 5.013 40 10 IKCBRN COc1cc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)ccc1Cl ZINC000408758094 556662552 /nfs/dbraw/zinc/66/25/52/556662552.db2.gz VESODSKOFBWMSK-LPYMAVHISA-N 0 0 448.954 5.574 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(C)c3)C2=O)cc1 ZINC000408983453 556666554 /nfs/dbraw/zinc/66/65/54/556666554.db2.gz BWJHCHXJPRMIPD-HMMYKYKNSA-N 0 0 433.910 6.658 40 10 IKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@H](O)COc1cccc2ccccc21 ZINC000017141456 556669686 /nfs/dbraw/zinc/66/96/86/556669686.db2.gz IQPJXKXGWJWACE-NRFANRHFSA-N 0 0 431.919 5.576 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000017288303 556674467 /nfs/dbraw/zinc/67/44/67/556674467.db2.gz FRULEYONJPGWSZ-DEDYPNTBSA-N 0 0 435.957 6.437 40 10 IKCBRN O=[N+]([O-])c1cc(Br)c(/N=N/c2cccc3ccccc32)c(Br)c1 ZINC000017376745 556676872 /nfs/dbraw/zinc/67/68/72/556676872.db2.gz KXUIGFSQDIVESZ-FMQUCBEESA-N 0 0 435.075 6.688 40 10 IKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044904554 556679536 /nfs/dbraw/zinc/67/95/36/556679536.db2.gz SDFQTDLAMUMNQF-UHFFFAOYSA-N 0 0 425.576 5.170 40 10 IKCBRN COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 ZINC000017836552 556679785 /nfs/dbraw/zinc/67/97/85/556679785.db2.gz ZZWDRURYLOLTAN-CYYJNZCTSA-N 0 0 429.432 5.478 40 10 IKCBRN CCOc1ccccc1/N=N/c1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 ZINC000018177151 556685817 /nfs/dbraw/zinc/68/58/17/556685817.db2.gz VLBVIPHPPAURDO-BYYHNAKLSA-N 0 0 427.460 6.168 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408984969 556686283 /nfs/dbraw/zinc/68/62/83/556686283.db2.gz JOZMHCATEWJATQ-CJLVFECKSA-N 0 0 429.947 6.827 40 10 IKCBRN O=C(Nc1ccc(Cl)cc1)c1cc2cc(/N=N/c3ccccc3Cl)ccc2oc1=O ZINC000018209362 556686923 /nfs/dbraw/zinc/68/69/23/556686923.db2.gz ARPLBCSMWDQQSD-CYYJNZCTSA-N 0 0 438.270 6.768 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408759486 556686951 /nfs/dbraw/zinc/68/69/51/556686951.db2.gz FXLXNZDONGHYLQ-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000408759636 556687028 /nfs/dbraw/zinc/68/70/28/556687028.db2.gz IKPUXOPLCPLHLL-JLPGSUDCSA-N 0 0 434.499 5.086 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 ZINC000408761647 556687800 /nfs/dbraw/zinc/68/78/00/556687800.db2.gz KJOQAGABVLYDJU-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3F)C2=O)cc1 ZINC000408986247 556687890 /nfs/dbraw/zinc/68/78/90/556687890.db2.gz PBCMWAVUPMCAKN-QGOAFFKASA-N 0 0 437.873 6.488 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408761535 556688043 /nfs/dbraw/zinc/68/80/43/556688043.db2.gz GLWHJCILOUOPCL-LPYMAVHISA-N 0 0 437.326 6.145 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408761710 556688166 /nfs/dbraw/zinc/68/81/66/556688166.db2.gz KXKNGFRDIDYEOY-UDWIEESQSA-N 0 0 427.718 6.481 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 ZINC000408762082 556688904 /nfs/dbraw/zinc/68/89/04/556688904.db2.gz MTVBKCXCHUSADG-SFQUDFHCSA-N 0 0 439.323 6.636 40 10 IKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408987380 556691358 /nfs/dbraw/zinc/69/13/58/556691358.db2.gz XCPGKQYKPAXKIN-RCCKNPSSSA-N 0 0 429.903 5.988 40 10 IKCBRN COC(=O)c1ccc(COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2OC)cc1 ZINC000070453912 556699907 /nfs/dbraw/zinc/69/99/07/556699907.db2.gz VJXGOQNSTFMEAL-UHFFFAOYSA-N 0 0 440.499 5.750 40 10 IKCBRN COC(=O)c1ccc(COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2OC)o1 ZINC000070453918 556700003 /nfs/dbraw/zinc/70/00/03/556700003.db2.gz WDZYGIPXYSOUPF-UHFFFAOYSA-N 0 0 430.460 5.343 40 10 IKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1ccc(C)cc1 ZINC000070453895 556700039 /nfs/dbraw/zinc/70/00/39/556700039.db2.gz NCENCNCAQDSSFF-UHFFFAOYSA-N 0 0 440.543 6.541 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408997607 556710126 /nfs/dbraw/zinc/71/01/26/556710126.db2.gz NMACDGOWJRUFDN-QJOMJCCJSA-N 0 0 425.484 5.143 40 10 IKCBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408998028 556710178 /nfs/dbraw/zinc/71/01/78/556710178.db2.gz PYZVLOBSHQUYNB-KSEXSDGBSA-N 0 0 448.657 6.051 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409005969 556713258 /nfs/dbraw/zinc/71/32/58/556713258.db2.gz HQAPBTNUHOVNMB-QRVIBDJDSA-N 0 0 446.528 5.102 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000409013211 556716389 /nfs/dbraw/zinc/71/63/89/556716389.db2.gz MHBKITQHIJZHJV-RSZPVBOMSA-N 0 0 440.565 5.205 40 10 IKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000409016036 556719988 /nfs/dbraw/zinc/71/99/88/556719988.db2.gz AWYUOFSKOJAXET-DHDCSXOGSA-N 0 0 440.685 5.663 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409018662 556721849 /nfs/dbraw/zinc/72/18/49/556721849.db2.gz XNLZDOPFHFOPII-QNGOZBTKSA-N 0 0 446.934 5.625 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409018605 556721860 /nfs/dbraw/zinc/72/18/60/556721860.db2.gz NGLQEJFZECYZFH-OQKWZONESA-N 0 0 444.556 5.192 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409024923 556725871 /nfs/dbraw/zinc/72/58/71/556725871.db2.gz ZAYGRLSSPQTMTH-JWGURIENSA-N 0 0 447.531 5.038 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409051195 556756534 /nfs/dbraw/zinc/75/65/34/556756534.db2.gz BSQQLSCNLHBVNQ-STZFKDTASA-N 0 0 448.469 5.250 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)SC2=S)cc1 ZINC000409052564 556757656 /nfs/dbraw/zinc/75/76/56/556757656.db2.gz VACAQFWQGPSTGV-IWIPYMOSSA-N 0 0 445.609 6.284 40 10 IKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000409052471 556757696 /nfs/dbraw/zinc/75/76/96/556757696.db2.gz HXFIKYKBLKEFAD-ZXVVBBHZSA-N 0 0 430.503 6.914 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409054697 556758270 /nfs/dbraw/zinc/75/82/70/556758270.db2.gz BBEJSDDTDSLSAH-JLPGSUDCSA-N 0 0 440.543 5.275 40 10 IKCBRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1)N1CCCC1 ZINC000001339997 556777762 /nfs/dbraw/zinc/77/77/62/556777762.db2.gz XGYSXIDRTQICRO-UHFFFAOYSA-N 0 0 425.985 5.161 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000001340021 556777844 /nfs/dbraw/zinc/77/78/44/556777844.db2.gz JONNIMXWOZUEJQ-QGZVFWFLSA-N 0 0 440.012 5.929 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000001340010 556777878 /nfs/dbraw/zinc/77/78/78/556777878.db2.gz PRNHTOXJXDIRBT-UHFFFAOYSA-N 0 0 425.985 5.541 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409077412 556782123 /nfs/dbraw/zinc/78/21/23/556782123.db2.gz FPJLXNBYZMLWCR-OOAXWGSJSA-N 0 0 444.534 6.409 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079716 556787954 /nfs/dbraw/zinc/78/79/54/556787954.db2.gz LXYKAAKGUFQQHP-ZXVVBBHZSA-N 0 0 448.497 6.239 40 10 IKCBRN CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409082170 556789501 /nfs/dbraw/zinc/78/95/01/556789501.db2.gz RISDYOWPVURHDK-PGMHBOJBSA-N 0 0 447.332 5.682 40 10 IKCBRN CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409085635 556790646 /nfs/dbraw/zinc/79/06/46/556790646.db2.gz CKDHMNVXDJFGBG-UYRXBGFRSA-N 0 0 437.326 6.227 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409095360 556794337 /nfs/dbraw/zinc/79/43/37/556794337.db2.gz AYANKVVZTQQIHW-ZVHZXABRSA-N 0 0 441.918 5.998 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409099056 556795299 /nfs/dbraw/zinc/79/52/99/556795299.db2.gz PTWMDXWUPSMFKQ-DJKKODMXSA-N 0 0 446.956 5.044 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1OC ZINC000001461972 556797182 /nfs/dbraw/zinc/79/71/82/556797182.db2.gz MEFSZRVSQIJVBG-NJSLBKSFSA-N 0 0 433.289 5.135 40 10 IKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21 ZINC000409111379 556801975 /nfs/dbraw/zinc/80/19/75/556801975.db2.gz AGMJKRSAYWPECW-STZFKDTASA-N 0 0 447.365 6.904 40 10 IKCBRN Cc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409118466 556812011 /nfs/dbraw/zinc/81/20/11/556812011.db2.gz QKMSOWYMRRDBSI-MTJSOVHGSA-N 0 0 439.386 6.944 40 10 IKCBRN Cc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409120348 556814130 /nfs/dbraw/zinc/81/41/30/556814130.db2.gz TZYMZAHWJWIOHA-UCQKPKSFSA-N 0 0 449.392 6.400 40 10 IKCBRN Clc1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c1Cl ZINC000006444489 556836878 /nfs/dbraw/zinc/83/68/78/556836878.db2.gz RPFZUFVCTNLFBZ-WVQJBOLRSA-N 0 0 442.127 6.425 40 10 IKCBRN O=[N+]([O-])c1cccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 ZINC000006444722 556836946 /nfs/dbraw/zinc/83/69/46/556836946.db2.gz YBSJBYCBSDKPCS-UKFDBNNRSA-N 0 0 449.348 6.252 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000006600591 556837798 /nfs/dbraw/zinc/83/77/98/556837798.db2.gz RMNXRLLYEAHMNK-HZHRSRAPSA-N 0 0 446.934 6.124 40 10 IKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)SC2=S)cc1 ZINC000409128292 556839482 /nfs/dbraw/zinc/83/94/82/556839482.db2.gz FARLKFANZXBFLT-UUYOSTAYSA-N 0 0 436.602 5.707 40 10 IKCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Br ZINC000409128693 556839690 /nfs/dbraw/zinc/83/96/90/556839690.db2.gz TWIYZRMGEITDGB-XMHGGMMESA-N 0 0 445.382 5.184 40 10 IKCBRN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409132577 556843009 /nfs/dbraw/zinc/84/30/09/556843009.db2.gz JLPWKAUPUYAXPY-SXGWCWSVSA-N 0 0 435.412 5.304 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 ZINC000408768737 556846908 /nfs/dbraw/zinc/84/69/08/556846908.db2.gz IRFHHEJPPYQDSV-IGSWSUAKSA-N 0 0 437.996 5.910 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000408770503 556847103 /nfs/dbraw/zinc/84/71/03/556847103.db2.gz YGWXKEMLEMGBTL-YVLHZVERSA-N 0 0 436.722 5.914 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 ZINC000408776675 556847522 /nfs/dbraw/zinc/84/75/22/556847522.db2.gz PLUWXCDSNQUNFQ-LMSRTUJASA-N 0 0 431.605 5.873 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1)c1ccccc1 ZINC000409134233 556848033 /nfs/dbraw/zinc/84/80/33/556848033.db2.gz OEMFUGDKJRHEKK-BOPFTXTBSA-N 0 0 443.311 5.654 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)S2)cc1 ZINC000408775363 556848753 /nfs/dbraw/zinc/84/87/53/556848753.db2.gz POVMNQZUEBBPCM-MWRSTHINSA-N 0 0 430.533 5.970 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409136197 556849059 /nfs/dbraw/zinc/84/90/59/556849059.db2.gz XSBIXHVGSXEPSB-BKUYFWCQSA-N 0 0 428.985 6.364 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2O)cc1 ZINC000408778463 556853753 /nfs/dbraw/zinc/85/37/53/556853753.db2.gz UVPYLFHXRLTHAS-LDADJPATSA-N 0 0 432.863 5.734 40 10 IKCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408779909 556854303 /nfs/dbraw/zinc/85/43/03/556854303.db2.gz NJMKKRDPAMJHQI-RCCKNPSSSA-N 0 0 439.471 5.333 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000408780199 556854343 /nfs/dbraw/zinc/85/43/43/556854343.db2.gz VDLIVKXMASAWDR-XDHOZWIPSA-N 0 0 426.428 5.103 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 ZINC000408781678 556855896 /nfs/dbraw/zinc/85/58/96/556855896.db2.gz FAIYRCYKQKUZFX-MFUBYVTQSA-N 0 0 448.548 5.164 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(C(=O)OC)=C2C)cc1 ZINC000408787683 556856769 /nfs/dbraw/zinc/85/67/69/556856769.db2.gz DPFDOCKSCAOHTE-BOPFTXTBSA-N 0 0 432.303 5.269 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408791437 556857245 /nfs/dbraw/zinc/85/72/45/556857245.db2.gz YVSUMTIJAOTYNK-JLPGSUDCSA-N 0 0 426.516 5.280 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)c1 ZINC000408840565 556867271 /nfs/dbraw/zinc/86/72/71/556867271.db2.gz CJNAPBVSBSUTNX-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Br)cc2)c1 ZINC000408840928 556867426 /nfs/dbraw/zinc/86/74/26/556867426.db2.gz GNJAAXRFZJZXPY-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408841136 556867441 /nfs/dbraw/zinc/86/74/41/556867441.db2.gz HUTIKQOAEIZNPX-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2cccc(C)c2)cc1 ZINC000408840750 556867463 /nfs/dbraw/zinc/86/74/63/556867463.db2.gz FJQXYTCTJAROCS-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1 ZINC000408841430 556867468 /nfs/dbraw/zinc/86/74/68/556867468.db2.gz JAQLDUBGVPDQLM-HMMYKYKNSA-N 0 0 428.944 6.698 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408841788 556867683 /nfs/dbraw/zinc/86/76/83/556867683.db2.gz LJHDXCZEYVEIQD-FYJGNVAPSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408841815 556867726 /nfs/dbraw/zinc/86/77/26/556867726.db2.gz LTFYEYZKLZBNJB-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2Br)cc1 ZINC000408841756 556867757 /nfs/dbraw/zinc/86/77/57/556867757.db2.gz KUUNGKWKZQUFQD-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408841780 556867791 /nfs/dbraw/zinc/86/77/91/556867791.db2.gz LIJSAHLNGAODRN-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408843681 556868381 /nfs/dbraw/zinc/86/83/81/556868381.db2.gz RQPFGODMLSHMRY-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409142280 556873276 /nfs/dbraw/zinc/87/32/76/556873276.db2.gz XOVTZLKOULWXKA-NDENLUEZSA-N 0 0 441.021 6.127 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000409142075 556873284 /nfs/dbraw/zinc/87/32/84/556873284.db2.gz LBZIZTQZULLAGV-GRSHGNNSSA-N 0 0 430.957 5.703 40 10 IKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)SC2=S)cc1 ZINC000409140048 556873551 /nfs/dbraw/zinc/87/35/51/556873551.db2.gz PRXDWXJHTMORNG-BKUYFWCQSA-N 0 0 426.607 5.630 40 10 IKCBRN COc1ccc(CN2C(=O)[C@@H](Cc3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 ZINC000409142819 556873915 /nfs/dbraw/zinc/87/39/15/556873915.db2.gz GCPDEPINYULQJT-OAQYLSRUSA-N 0 0 429.607 5.107 40 10 IKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(Cl)c1 ZINC000409144660 556874109 /nfs/dbraw/zinc/87/41/09/556874109.db2.gz ZDOPPZPYTDJPDR-XDHOZWIPSA-N 0 0 438.961 5.348 40 10 IKCBRN COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000409149996 556876785 /nfs/dbraw/zinc/87/67/85/556876785.db2.gz XTZQBPDTLXZCHZ-HSZRJFAPSA-N 0 0 449.597 5.246 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21 ZINC000409151472 556877135 /nfs/dbraw/zinc/87/71/35/556877135.db2.gz HBWBVVMRGGIBOU-SNUQEOBHSA-N 0 0 441.234 6.137 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 ZINC000409151474 556877197 /nfs/dbraw/zinc/87/71/97/556877197.db2.gz HBWBVVMRGGIBOU-VEVIJQCQSA-N 0 0 441.234 6.137 40 10 IKCBRN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408889309 556878755 /nfs/dbraw/zinc/87/87/55/556878755.db2.gz BQFZGIQBWNWZTN-NVNXTCNLSA-N 0 0 426.346 5.070 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409153369 556878897 /nfs/dbraw/zinc/87/88/97/556878897.db2.gz HVOWVHLYWOCWMW-IIYDPXPESA-N 0 0 428.679 6.948 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000409154801 556879407 /nfs/dbraw/zinc/87/94/07/556879407.db2.gz HMNQUAMFGCMYDS-MVERNJQCSA-N 0 0 428.557 7.022 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000409154793 556879417 /nfs/dbraw/zinc/87/94/17/556879417.db2.gz HMNQUAMFGCMYDS-JCYRPKCISA-N 0 0 428.557 7.022 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408893949 556879955 /nfs/dbraw/zinc/87/99/55/556879955.db2.gz OUYUQFPKUGDGJN-KQWNVCNZSA-N 0 0 443.474 5.282 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408894980 556880558 /nfs/dbraw/zinc/88/05/58/556880558.db2.gz SOTOPMHDHMKSLZ-PDGQHHTCSA-N 0 0 444.350 5.048 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408892103 556881525 /nfs/dbraw/zinc/88/15/25/556881525.db2.gz GDJZTHHICCZNQN-UQQQWYQISA-N 0 0 439.511 5.451 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408893246 556881818 /nfs/dbraw/zinc/88/18/18/556881818.db2.gz LKQPHNMZGCMKNN-YBEGLDIGSA-N 0 0 436.722 5.914 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408901209 556882519 /nfs/dbraw/zinc/88/25/19/556882519.db2.gz CBPKQNLJUJSERS-UDWIEESQSA-N 0 0 434.883 5.462 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408901453 556882561 /nfs/dbraw/zinc/88/25/61/556882561.db2.gz FHTSNLUQCORHGZ-HTMJNSLASA-N 0 0 448.407 6.032 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408901354 556882628 /nfs/dbraw/zinc/88/26/28/556882628.db2.gz DMCJFYGEDJMPIT-FYJGNVAPSA-N 0 0 449.557 5.717 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408901928 556882785 /nfs/dbraw/zinc/88/27/85/556882785.db2.gz IZGRVMRHBWPCMD-XQNSMLJCSA-N 0 0 446.641 6.797 40 10 IKCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C ZINC000408901993 556883092 /nfs/dbraw/zinc/88/30/92/556883092.db2.gz JQVSEXNRZSJXDJ-KGENOOAVSA-N 0 0 448.569 5.287 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000408904344 556883834 /nfs/dbraw/zinc/88/38/34/556883834.db2.gz ICGBQPGSPANSKU-KGENOOAVSA-N 0 0 445.906 5.164 40 10 IKCBRN CC[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408904638 556883928 /nfs/dbraw/zinc/88/39/28/556883928.db2.gz MNJOFYXDZWTUJY-BGARDKSCSA-N 0 0 443.341 5.441 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc2ccccc2c1 ZINC000408902915 556885497 /nfs/dbraw/zinc/88/54/97/556885497.db2.gz SBJTWWLZOCRKIM-YZSQISJMSA-N 0 0 448.522 6.234 40 10 IKCBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000408902709 556885565 /nfs/dbraw/zinc/88/55/65/556885565.db2.gz QGJFEJRCRYKXNY-XDHOZWIPSA-N 0 0 438.486 5.269 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408902687 556885569 /nfs/dbraw/zinc/88/55/69/556885569.db2.gz PXGSMRVFRXLECM-MTDXEUNCSA-N 0 0 441.534 6.649 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000408903429 556885761 /nfs/dbraw/zinc/88/57/61/556885761.db2.gz XRDJYKVSRIJWGO-UDWIEESQSA-N 0 0 437.326 6.379 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408903582 556885845 /nfs/dbraw/zinc/88/58/45/556885845.db2.gz TUEONQGKWQJJFD-ODLFYWEKSA-N 0 0 440.355 5.171 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F ZINC000408938656 556897233 /nfs/dbraw/zinc/89/72/33/556897233.db2.gz QUWLOWXOEPYUOD-XQNSMLJCSA-N 0 0 437.474 5.271 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1C ZINC000408960687 556899505 /nfs/dbraw/zinc/89/95/05/556899505.db2.gz NUYRKMXTLLHOBV-IWIPYMOSSA-N 0 0 444.600 6.510 40 10 IKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408966425 556900761 /nfs/dbraw/zinc/90/07/61/556900761.db2.gz MRJYVWLPROKGRU-UHFFFAOYSA-N 0 0 446.432 7.683 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1C ZINC000408962498 556901378 /nfs/dbraw/zinc/90/13/78/556901378.db2.gz YPKJTVOOJRLSEZ-IWIPYMOSSA-N 0 0 444.600 6.510 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409158409 556901411 /nfs/dbraw/zinc/90/14/11/556901411.db2.gz RDLYDDVULIKKJK-CPNJWEJPSA-N 0 0 443.366 5.286 40 10 IKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OC(C)C ZINC000408969335 556904322 /nfs/dbraw/zinc/90/43/22/556904322.db2.gz MBXZJRHWBSYZHB-DHDCSXOGSA-N 0 0 438.833 5.484 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 ZINC000408972863 556907464 /nfs/dbraw/zinc/90/74/64/556907464.db2.gz WJBUXWCCORDDHS-BOPFTXTBSA-N 0 0 445.371 6.399 40 10 IKCBRN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408986007 556909229 /nfs/dbraw/zinc/90/92/29/556909229.db2.gz OKWJVHKFOISPIY-RELWKKBWSA-N 0 0 428.963 6.658 40 10 IKCBRN Cc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408987394 556909859 /nfs/dbraw/zinc/90/98/59/556909859.db2.gz XHUNPLULZLQBSH-WOJGMQOQSA-N 0 0 440.757 7.427 40 10 IKCBRN COC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1C ZINC000408987417 556910192 /nfs/dbraw/zinc/91/01/92/556910192.db2.gz XNNCNVJROVCWAZ-HMMYKYKNSA-N 0 0 429.903 5.906 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000408987855 556910227 /nfs/dbraw/zinc/91/02/27/556910227.db2.gz ZDZXGHWEVWRSJW-HIXSDJFHSA-N 0 0 438.571 6.403 40 10 IKCBRN Cc1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000408987780 556910285 /nfs/dbraw/zinc/91/02/85/556910285.db2.gz XZRLNVQTFGZVLR-DEDYPNTBSA-N 0 0 430.891 6.336 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1Br ZINC000408987450 556910295 /nfs/dbraw/zinc/91/02/95/556910295.db2.gz XUJUTBXHTAVFPD-NBVRZTHBSA-N 0 0 436.736 6.574 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000408987829 556910299 /nfs/dbraw/zinc/91/02/99/556910299.db2.gz YVCCBAZHPXINIM-SFQUDFHCSA-N 0 0 426.730 7.118 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)cc1 ZINC000408987782 556910315 /nfs/dbraw/zinc/91/03/15/556910315.db2.gz YCBZBJLJXQQCNT-PTGBLXJZSA-N 0 0 439.511 5.733 40 10 IKCBRN CCOc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000408984350 556910664 /nfs/dbraw/zinc/91/06/64/556910664.db2.gz HERPDFHMKYJROK-CJLVFECKSA-N 0 0 443.930 6.413 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408984571 556910861 /nfs/dbraw/zinc/91/08/61/556910861.db2.gz IHBLCQLATWYRJE-HMMYKYKNSA-N 0 0 431.919 6.219 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 ZINC000408999536 556914020 /nfs/dbraw/zinc/91/40/20/556914020.db2.gz LMVPFROAZDWEKQ-XMHGGMMESA-N 0 0 449.362 7.043 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000409002108 556914821 /nfs/dbraw/zinc/91/48/21/556914821.db2.gz SLZLYVVKOMXACY-PXLXIMEGSA-N 0 0 437.326 6.227 40 10 IKCBRN O=C1C(=Cc2ccc(-c3ccccc3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409006932 556916281 /nfs/dbraw/zinc/91/62/81/556916281.db2.gz LJWIJUMDJMHHHQ-UHFFFAOYSA-N 0 0 434.451 5.530 40 10 IKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409011343 556918151 /nfs/dbraw/zinc/91/81/51/556918151.db2.gz HGNFAABRKGVJOV-UCQKPKSFSA-N 0 0 434.580 5.430 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000409021329 556922106 /nfs/dbraw/zinc/92/21/06/556922106.db2.gz BTDBFHXCULBCGI-MOSHPQCFSA-N 0 0 443.465 5.880 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1OCC ZINC000409021972 556922774 /nfs/dbraw/zinc/92/27/74/556922774.db2.gz BEVSEVUWYHNOFQ-JCMHNJIXSA-N 0 0 449.547 5.368 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409019951 556924280 /nfs/dbraw/zinc/92/42/80/556924280.db2.gz LBJFFQPDMANMFA-ITYLOYPMSA-N 0 0 433.511 5.858 40 10 IKCBRN CSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12 ZINC000409029426 556925115 /nfs/dbraw/zinc/92/51/15/556925115.db2.gz AUBOZEYSVAZQGM-NTEUORMPSA-N 0 0 448.416 6.063 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1 ZINC000409030545 556926958 /nfs/dbraw/zinc/92/69/58/556926958.db2.gz GEUSVHNXWFXUTG-BKUYFWCQSA-N 0 0 427.591 5.522 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000409038770 556927919 /nfs/dbraw/zinc/92/79/19/556927919.db2.gz VTDYFGNUSFKRDX-LFIBNONCSA-N 0 0 444.359 5.981 40 10 IKCBRN CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409041726 556929539 /nfs/dbraw/zinc/92/95/39/556929539.db2.gz VKDOHMLSFYNMOM-XFFZJAGNSA-N 0 0 430.760 5.240 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409045604 556930318 /nfs/dbraw/zinc/93/03/18/556930318.db2.gz GPKJRXLXHJEQFC-FYJGNVAPSA-N 0 0 437.326 6.379 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409052640 556931055 /nfs/dbraw/zinc/93/10/55/556931055.db2.gz HKWKPFVBEPESMU-HAHDFKILSA-N 0 0 430.479 5.110 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3F)SC2=S)cc1 ZINC000409053054 556931267 /nfs/dbraw/zinc/93/12/67/556931267.db2.gz JQEVALXBRITIHC-UCQKPKSFSA-N 0 0 449.572 6.115 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OCC)C3=O)c2C)cc1 ZINC000409050481 556932778 /nfs/dbraw/zinc/93/27/78/556932778.db2.gz WJQZYRHCTPNILZ-KGENOOAVSA-N 0 0 440.565 5.036 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CC)cc1 ZINC000409051812 556933364 /nfs/dbraw/zinc/93/33/64/556933364.db2.gz BSZKZWOMWLNNTA-ZHZULCJRSA-N 0 0 440.337 5.279 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409055995 556933848 /nfs/dbraw/zinc/93/38/48/556933848.db2.gz BWTGTMLDMGAOGS-JLPGSUDCSA-N 0 0 440.543 5.588 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409073955 556947020 /nfs/dbraw/zinc/94/70/20/556947020.db2.gz UYUHKVLXEOVAHV-XYGWBWBKSA-N 0 0 440.543 5.275 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000409080416 556947224 /nfs/dbraw/zinc/94/72/24/556947224.db2.gz DEPNSSZNLANKDC-DISPHTKASA-N 0 0 439.480 5.346 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc(Cl)cc1 ZINC000409080966 556947486 /nfs/dbraw/zinc/94/74/86/556947486.db2.gz OTAJULNNZKUJOE-STZFKDTASA-N 0 0 428.001 5.480 40 10 IKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409086556 556950682 /nfs/dbraw/zinc/95/06/82/556950682.db2.gz VXKBFYPVHWYRJN-FUDBJYBQSA-N 0 0 432.998 5.128 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409100911 556955462 /nfs/dbraw/zinc/95/54/62/556955462.db2.gz VYKDOQGTWLPHGK-ZVHZXABRSA-N 0 0 431.511 5.450 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409105484 556958572 /nfs/dbraw/zinc/95/85/72/556958572.db2.gz HXBGHUHRTODEQE-YBFXNURJSA-N 0 0 426.303 5.498 40 10 IKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000409106535 556958930 /nfs/dbraw/zinc/95/89/30/556958930.db2.gz NXXKDYFCOSQMDW-DEDYPNTBSA-N 0 0 434.517 5.484 40 10 IKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21 ZINC000409116757 556960119 /nfs/dbraw/zinc/96/01/19/556960119.db2.gz LERJTKIIULTGHI-XKZIYDEJSA-N 0 0 447.365 6.904 40 10 IKCBRN Oc1c(Br)cc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000409121849 556961804 /nfs/dbraw/zinc/96/18/04/556961804.db2.gz YFYIEEUONNLPOH-UHFFFAOYSA-N 0 0 449.142 6.322 40 10 IKCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409124396 556964349 /nfs/dbraw/zinc/96/43/49/556964349.db2.gz HEXGXCZCQYMFDB-MHWRWJLKSA-N 0 0 425.337 5.084 40 10 IKCBRN CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409127283 556965836 /nfs/dbraw/zinc/96/58/36/556965836.db2.gz PIWCLOWZALDBBK-UNOMPAQXSA-N 0 0 447.398 6.001 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3C)c3ccccc23)SC1=S ZINC000409128167 556966362 /nfs/dbraw/zinc/96/63/62/556966362.db2.gz RSTKVDLAHFEJAF-JCMHNJIXSA-N 0 0 436.602 5.640 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000409160084 556974598 /nfs/dbraw/zinc/97/45/98/556974598.db2.gz XJECVCDLHIOSPC-OHUGHZGNSA-N 0 0 437.530 7.824 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21 ZINC000409151475 556975001 /nfs/dbraw/zinc/97/50/01/556975001.db2.gz HBWBVVMRGGIBOU-ZJNRKIDTSA-N 0 0 441.234 6.137 40 10 IKCBRN Cc1cccc(COc2ccccc2C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000409161176 556975555 /nfs/dbraw/zinc/97/55/55/556975555.db2.gz KKUPBCKFLVBQKP-XMMPIXPASA-N 0 0 447.625 5.588 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000409161063 556975595 /nfs/dbraw/zinc/97/55/95/556975595.db2.gz VVOSDJWGXFWXTG-VLXJIEOASA-N 0 0 425.153 6.591 40 10 IKCBRN O=C(Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000015080687 556977715 /nfs/dbraw/zinc/97/77/15/556977715.db2.gz SWQUIAVTTITOTL-UHFFFAOYSA-N 0 0 435.435 5.212 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@@H]21 ZINC000409163886 556978528 /nfs/dbraw/zinc/97/85/28/556978528.db2.gz ZBLWEULDMALEBJ-ZYLNGJIFSA-N 0 0 432.361 6.951 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409155343 556979367 /nfs/dbraw/zinc/97/93/67/556979367.db2.gz PNTQJFVRXWSMLW-PBFPGSCMSA-N 0 0 428.679 6.948 40 10 IKCBRN Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 ZINC000409156408 556979893 /nfs/dbraw/zinc/97/98/93/556979893.db2.gz NQISHTXTDGPYNQ-ZYLNGJIFSA-N 0 0 448.429 7.568 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 ZINC000409166473 556980418 /nfs/dbraw/zinc/98/04/18/556980418.db2.gz DVXRIKIOZGPRHO-ZJNRKIDTSA-N 0 0 435.159 6.047 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 ZINC000409166467 556980536 /nfs/dbraw/zinc/98/05/36/556980536.db2.gz DVXRIKIOZGPRHO-SNUQEOBHSA-N 0 0 435.159 6.047 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3c(C)cc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409167606 556980718 /nfs/dbraw/zinc/98/07/18/556980718.db2.gz IWCZPXSLZNKQJV-OASJLCFRSA-N 0 0 441.596 6.900 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409168749 556980964 /nfs/dbraw/zinc/98/09/64/556980964.db2.gz SFNZEAUXFMWRTL-UDWIEESQSA-N 0 0 440.330 5.807 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl ZINC000409172622 556984014 /nfs/dbraw/zinc/98/40/14/556984014.db2.gz DRSBWDLSVUKOQO-FHAGJXEFSA-N 0 0 448.975 7.367 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000409172623 556984068 /nfs/dbraw/zinc/98/40/68/556984068.db2.gz DRSBWDLSVUKOQO-RLSLOFABSA-N 0 0 448.975 7.367 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(Br)cc1O ZINC000015930496 556985610 /nfs/dbraw/zinc/98/56/10/556985610.db2.gz UDGNFADUUUTKHV-OVCLIPMQSA-N 0 0 435.705 5.013 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000409172621 556986888 /nfs/dbraw/zinc/98/68/88/556986888.db2.gz DRSBWDLSVUKOQO-DFIYOIEZSA-N 0 0 448.975 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/nfs/dbraw/zinc/12/89/25/557128925.db2.gz VOJFVFJKVZKEPX-RGVLZGJSSA-N 0 0 448.009 6.179 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409348653 557129389 /nfs/dbraw/zinc/12/93/89/557129389.db2.gz OCYAGEYSHARNOT-NLLJVSSUSA-N 0 0 443.546 5.007 40 10 IKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409352006 557129970 /nfs/dbraw/zinc/12/99/70/557129970.db2.gz VNLSXNRGPTYIPG-FHNWIRHTSA-N 0 0 437.508 6.289 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409349850 557130137 /nfs/dbraw/zinc/13/01/37/557130137.db2.gz WHKUWAUJKWBFSS-LDADJPATSA-N 0 0 437.508 6.290 40 10 IKCBRN Cc1cccc(C(=O)N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)c1 ZINC000408719448 557133255 /nfs/dbraw/zinc/13/32/55/557133255.db2.gz MNRXWRUTNHMYHG-HAHDFKILSA-N 0 0 439.561 6.343 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409352926 557133731 /nfs/dbraw/zinc/13/37/31/557133731.db2.gz ZKRBHYRHHBPWLX-XQNSMLJCSA-N 0 0 449.597 6.433 40 10 IKCBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=S)N(c4ccccc4)C3=O)=C2)cc1C ZINC000408726487 557137368 /nfs/dbraw/zinc/13/73/68/557137368.db2.gz TUZFEUQTBQZHOU-AMQQTSRNSA-N 0 0 445.569 6.830 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl ZINC000409367430 557138030 /nfs/dbraw/zinc/13/80/30/557138030.db2.gz YOANRNSZLSVGIX-ZDLGFXPLSA-N 0 0 430.287 5.073 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409381458 557140257 /nfs/dbraw/zinc/14/02/57/557140257.db2.gz HAYNMCWWOBMTKH-WQRHYEAKSA-N 0 0 433.982 5.457 40 10 IKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000103918490 557140463 /nfs/dbraw/zinc/14/04/63/557140463.db2.gz QTTJGRVIMSWHIR-HAHDFKILSA-N 0 0 438.934 5.569 40 10 IKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 ZINC000103918931 557140680 /nfs/dbraw/zinc/14/06/80/557140680.db2.gz ZRPQMCRSWDZCBL-UNOMPAQXSA-N 0 0 445.375 6.492 40 10 IKCBRN Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1ccc2ccccc2c1 ZINC000408734563 557142014 /nfs/dbraw/zinc/14/20/14/557142014.db2.gz IAHWDUCJYKOUDL-UHFFFAOYSA-N 0 0 425.557 6.503 40 10 IKCBRN S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 ZINC000408734651 557142338 /nfs/dbraw/zinc/14/23/38/557142338.db2.gz BHKWKIXIXACOFL-UHFFFAOYSA-N 0 0 425.513 5.085 40 10 IKCBRN Cc1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408734645 557142465 /nfs/dbraw/zinc/14/24/65/557142465.db2.gz BETISXPZFLYGMC-UHFFFAOYSA-N 0 0 428.495 7.042 40 10 IKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1ccccc1Cl ZINC000408735191 557142712 /nfs/dbraw/zinc/14/27/12/557142712.db2.gz LQPOFBSBIGFFSO-UHFFFAOYSA-N 0 0 448.913 7.387 40 10 IKCBRN Cc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C)n1-c1cccc2ccccc21 ZINC000408733820 557143345 /nfs/dbraw/zinc/14/33/45/557143345.db2.gz AKVFAZZPCTVUED-UHFFFAOYSA-N 0 0 425.557 6.503 40 10 IKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736214 557143910 /nfs/dbraw/zinc/14/39/10/557143910.db2.gz LVEVYOWPUFCVJO-DPLHUUCSSA-N 0 0 425.484 5.519 40 10 IKCBRN COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c(OC)c1 ZINC000408736424 557144202 /nfs/dbraw/zinc/14/42/02/557144202.db2.gz RWLOHYZYHQPDCI-QEEYODRMSA-N 0 0 433.289 5.135 40 10 IKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736470 557144226 /nfs/dbraw/zinc/14/42/26/557144226.db2.gz VAIYKLBZPQSXEC-DXBVXKBHSA-N 0 0 439.555 6.577 40 10 IKCBRN O=C(Oc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000408736634 557144444 /nfs/dbraw/zinc/14/44/44/557144444.db2.gz YDRPVBCULRRYLM-QTEQDKRBSA-N 0 0 436.338 7.039 40 10 IKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736540 557144528 /nfs/dbraw/zinc/14/45/28/557144528.db2.gz XPXRKNVXESJVQI-SLSDLSHTSA-N 0 0 432.907 6.654 40 10 IKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408737693 557145101 /nfs/dbraw/zinc/14/51/01/557145101.db2.gz VEVMGCNEQFHKRQ-ZPSYUOPISA-N 0 0 426.560 6.889 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1Br ZINC000408738309 557146594 /nfs/dbraw/zinc/14/65/94/557146594.db2.gz JWWZYQLHAWRCFT-XSFVSMFZSA-N 0 0 446.344 6.237 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)cc1 ZINC000408738201 557146778 /nfs/dbraw/zinc/14/67/78/557146778.db2.gz JBIYBFBYVMXPJS-OQKWZONESA-N 0 0 425.484 5.343 40 10 IKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)c1 ZINC000408739394 557147289 /nfs/dbraw/zinc/14/72/89/557147289.db2.gz WDOJZVTUZBAVQD-CJLVFECKSA-N 0 0 425.484 5.343 40 10 IKCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C ZINC000144204321 557148172 /nfs/dbraw/zinc/14/81/72/557148172.db2.gz HINXCYBNNOGBIU-MTJSOVHGSA-N 0 0 438.936 5.997 40 10 IKCBRN COc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408740367 557149087 /nfs/dbraw/zinc/14/90/87/557149087.db2.gz BKKBTJVLOBKSBA-WUXMJOGZSA-N 0 0 436.645 5.001 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000408741132 557149465 /nfs/dbraw/zinc/14/94/65/557149465.db2.gz GWGXYNQXGLHGPU-HZHRSRAPSA-N 0 0 442.511 5.963 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)O2)cc1 ZINC000408741884 557149756 /nfs/dbraw/zinc/14/97/56/557149756.db2.gz LTQIEMZWLAAESW-XSFVSMFZSA-N 0 0 425.459 5.819 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)O2)cc1 ZINC000408742196 557150345 /nfs/dbraw/zinc/15/03/45/557150345.db2.gz NUMBKGLTFBIFCO-UDWIEESQSA-N 0 0 432.447 5.403 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408742313 557150357 /nfs/dbraw/zinc/15/03/57/557150357.db2.gz OGNZAZMOLBCDNQ-RVDMUPIBSA-N 0 0 427.681 6.344 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000016449901 557154751 /nfs/dbraw/zinc/15/47/51/557154751.db2.gz KHDGYNGNTRUHKH-NVNXTCNLSA-N 0 0 440.771 5.170 40 10 IKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000006674849 557156731 /nfs/dbraw/zinc/15/67/31/557156731.db2.gz ZXOVKVFOSODJLQ-XDHOZWIPSA-N 0 0 438.486 5.269 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000106685873 557157279 /nfs/dbraw/zinc/15/72/79/557157279.db2.gz NHDNIEJJNUHMGP-XKZIYDEJSA-N 0 0 436.964 6.292 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)c1 ZINC000408752735 557160692 /nfs/dbraw/zinc/16/06/92/557160692.db2.gz JUHNCDQIXKIVHK-HYARGMPZSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)cc1 ZINC000408752390 557160704 /nfs/dbraw/zinc/16/07/04/557160704.db2.gz AHONMARTXYOWPU-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408752362 557160714 /nfs/dbraw/zinc/16/07/14/557160714.db2.gz IBRPMJKNOPCGGP-DEDYPNTBSA-N 0 0 437.724 5.937 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(Br)c2)c1 ZINC000408752514 557160750 /nfs/dbraw/zinc/16/07/50/557160750.db2.gz BEBKHLJMZXWGIY-FYJGNVAPSA-N 0 0 435.296 5.731 40 10 IKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@@H]1CC=C[C@@H]21 ZINC000096006224 557162961 /nfs/dbraw/zinc/16/29/61/557162961.db2.gz MNMRDHYUXWCWFH-PLXFJCCSSA-N 0 0 442.515 6.317 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408752879 557162945 /nfs/dbraw/zinc/16/29/45/557162945.db2.gz DADHEKMGEVDGGS-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Cl)cc1 ZINC000408753005 557163645 /nfs/dbraw/zinc/16/36/45/557163645.db2.gz KOSDPWMHCSIKOV-KOEQRZSOSA-N 0 0 438.914 6.336 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Cl)cc2)cc1 ZINC000408753245 557163855 /nfs/dbraw/zinc/16/38/55/557163855.db2.gz FVVAERJLYGTPPU-KOEQRZSOSA-N 0 0 438.914 6.336 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 ZINC000408753229 557163986 /nfs/dbraw/zinc/16/39/86/557163986.db2.gz FQCYQYBSXHQEIY-CJLVFECKSA-N 0 0 446.348 5.350 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Br)cc1 ZINC000408753719 557164891 /nfs/dbraw/zinc/16/48/91/557164891.db2.gz BUGJQPKVGOOYHE-CPNJWEJPSA-N 0 0 439.334 5.354 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 ZINC000408753778 557164905 /nfs/dbraw/zinc/16/49/05/557164905.db2.gz IBQISSMBXAJXJT-XMHGGMMESA-N 0 0 449.362 7.043 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408754835 557167359 /nfs/dbraw/zinc/16/73/59/557167359.db2.gz LLPUQVJPEGGNMR-QGOAFFKASA-N 0 0 434.973 6.759 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000107788277 557167942 /nfs/dbraw/zinc/16/79/42/557167942.db2.gz ZCKXMGMRMDCPDJ-DEDYPNTBSA-N 0 0 435.530 5.408 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408756851 557169073 /nfs/dbraw/zinc/16/90/73/557169073.db2.gz XTMAJMOVVZNRND-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408757194 557169509 /nfs/dbraw/zinc/16/95/09/557169509.db2.gz VRUMERGZAFTKTG-LFVJCYFKSA-N 0 0 425.572 6.990 40 10 IKCBRN COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)ccc1Cl ZINC000408758107 557171599 /nfs/dbraw/zinc/17/15/99/557171599.db2.gz VMENNMNNUZYQIQ-BKUYFWCQSA-N 0 0 448.954 5.574 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408761110 557175608 /nfs/dbraw/zinc/17/56/08/557175608.db2.gz BWTFFPFLDWLJPW-CIAFOILYSA-N 0 0 439.298 5.542 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408762539 557176973 /nfs/dbraw/zinc/17/69/73/557176973.db2.gz OYCDOZKSWQOSAK-LFVJCYFKSA-N 0 0 443.333 6.981 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 ZINC000408762835 557177315 /nfs/dbraw/zinc/17/73/15/557177315.db2.gz MLNKPYYXQIMEOJ-LDADJPATSA-N 0 0 425.307 5.051 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1 ZINC000408759379 557177581 /nfs/dbraw/zinc/17/75/81/557177581.db2.gz DCDQAIGNXHYPTM-JJIBRWJFSA-N 0 0 429.495 5.125 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 ZINC000408760426 557178329 /nfs/dbraw/zinc/17/83/29/557178329.db2.gz YMLNRSXLYMZWQX-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408763366 557178652 /nfs/dbraw/zinc/17/86/52/557178652.db2.gz NFWJEJIPRVLZNV-KGENOOAVSA-N 0 0 434.854 5.100 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 ZINC000408763614 557181151 /nfs/dbraw/zinc/18/11/51/557181151.db2.gz TYUHVUCWKVZOPZ-UDWIEESQSA-N 0 0 439.259 5.562 40 10 IKCBRN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218203346 557181736 /nfs/dbraw/zinc/18/17/36/557181736.db2.gz INIWEZKKWNDJGP-SJORKVTESA-N 0 0 435.008 5.826 40 10 IKCBRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218213463 557182468 /nfs/dbraw/zinc/18/24/68/557182468.db2.gz XKJJIUZDZGKLDN-INIZCTEOSA-N 0 0 448.348 5.019 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2cccc(Br)c2)C1=O ZINC000408764383 557182519 /nfs/dbraw/zinc/18/25/19/557182519.db2.gz RKMHPKMREWHCJO-XSFVSMFZSA-N 0 0 433.305 5.292 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1I)c1ccc(N2CCC(C)CC2)cc1 ZINC000218216907 557182686 /nfs/dbraw/zinc/18/26/86/557182686.db2.gz LOINJUASLPQJAA-MRXNPFEDSA-N 0 0 448.348 5.019 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(Cl)cc2)cc1 ZINC000408764910 557182831 /nfs/dbraw/zinc/18/28/31/557182831.db2.gz NSMZJLSYLSJOAN-HYARGMPZSA-N 0 0 448.906 5.200 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408763188 557183145 /nfs/dbraw/zinc/18/31/45/557183145.db2.gz IBEXNYIDUGYJFJ-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408765014 557183933 /nfs/dbraw/zinc/18/39/33/557183933.db2.gz YQGFJDOKGSXNNX-KGENOOAVSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408765048 557184258 /nfs/dbraw/zinc/18/42/58/557184258.db2.gz ZBGFHJFMEHWZLX-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c1 ZINC000009310455 557186411 /nfs/dbraw/zinc/18/64/11/557186411.db2.gz NQBLEYMREKIFSA-KGENOOAVSA-N 0 0 449.553 5.525 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408766540 557188706 /nfs/dbraw/zinc/18/87/06/557188706.db2.gz VHTUFMSMZCBUTK-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000408766998 557188980 /nfs/dbraw/zinc/18/89/80/557188980.db2.gz URMRCGVQVPETQR-FYJGNVAPSA-N 0 0 436.870 5.331 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 ZINC000408774335 557196774 /nfs/dbraw/zinc/19/67/74/557196774.db2.gz ZLDUMEAEORYQCN-XPCGLTFESA-N 0 0 448.548 5.164 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 ZINC000408775225 557197598 /nfs/dbraw/zinc/19/75/98/557197598.db2.gz RLTKCNMBKNHXDB-XPCGLTFESA-N 0 0 437.996 5.910 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 ZINC000408779774 557201527 /nfs/dbraw/zinc/20/15/27/557201527.db2.gz KFGZPFNARMSCIE-RISWYLRJSA-N 0 0 431.605 5.873 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408798058 557212649 /nfs/dbraw/zinc/21/26/49/557212649.db2.gz UNHYZSOGKVREFN-ATVHPVEESA-N 0 0 435.829 5.626 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408806744 557218428 /nfs/dbraw/zinc/21/84/28/557218428.db2.gz BPGWOHBLLGXBEP-UHFFFAOYSA-N 0 0 442.539 6.149 40 10 IKCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219338316 557237953 /nfs/dbraw/zinc/23/79/53/557237953.db2.gz FJFNSMZFRYZMRJ-HFZDXXHNSA-N 0 0 430.592 6.111 40 10 IKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 ZINC000112290186 557238824 /nfs/dbraw/zinc/23/88/24/557238824.db2.gz ASDBESZLGXNJHM-ZHZULCJRSA-N 0 0 428.330 5.347 40 10 IKCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 ZINC000112291601 557238883 /nfs/dbraw/zinc/23/88/83/557238883.db2.gz BBOSEDGNUWNHNL-UQQQWYQISA-N 0 0 443.478 5.145 40 10 IKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 ZINC000112292082 557239344 /nfs/dbraw/zinc/23/93/44/557239344.db2.gz ZYQJDHGFTIFERF-BWAHOGKJSA-N 0 0 440.503 6.151 40 10 IKCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219386205 557239351 /nfs/dbraw/zinc/23/93/51/557239351.db2.gz AUSJPTLROJFJQW-FDDCHVKYSA-N 0 0 431.045 6.324 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccc(Cl)cc2)cc1 ZINC000112293822 557239732 /nfs/dbraw/zinc/23/97/32/557239732.db2.gz CIOGSPPISCRFHQ-QJOMJCCJSA-N 0 0 431.923 5.163 40 10 IKCBRN CC(NCCSc1ccc(C)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112296292 557239744 /nfs/dbraw/zinc/23/97/44/557239744.db2.gz NLCJNIKSACVNMO-CLCOLTQESA-N 0 0 445.563 5.541 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000408828151 557244551 /nfs/dbraw/zinc/24/45/51/557244551.db2.gz LHKCKCNICJRLNO-JPMUSVJPSA-N 0 0 446.333 6.595 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000026687741 557246470 /nfs/dbraw/zinc/24/64/70/557246470.db2.gz YPKJVLJNRVQCKP-DEDYPNTBSA-N 0 0 441.961 6.405 40 10 IKCBRN Nc1ccc(N=Nc2ccc(N=Nc3ccc([N+](=O)[N-]c4ccc(N)cc4)cc3)cc2)cc1 ZINC000100368247 557259159 /nfs/dbraw/zinc/25/91/59/557259159.db2.gz VZUJZZLOFGSASY-DNYSZOEGSA-N 0 0 436.479 7.608 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408839751 557259823 /nfs/dbraw/zinc/25/98/23/557259823.db2.gz AAGWCWAZYRWVIH-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408840257 557261492 /nfs/dbraw/zinc/26/14/92/557261492.db2.gz CYJZZMUDODIGMP-HKOYGPOVSA-N 0 0 442.515 5.327 40 10 IKCBRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219688517 557262323 /nfs/dbraw/zinc/26/23/23/557262323.db2.gz YDXCGXIPHYGFRX-KURKYZTESA-N 0 0 445.401 5.330 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408845968 557267620 /nfs/dbraw/zinc/26/76/20/557267620.db2.gz WYMZFUAUKQONCK-CJLVFECKSA-N 0 0 446.348 5.350 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2OC)cc1 ZINC000408846412 557269446 /nfs/dbraw/zinc/26/94/46/557269446.db2.gz SISCBULOSHCRMM-LGUFXXKBSA-N 0 0 448.522 6.082 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408846700 557270991 /nfs/dbraw/zinc/27/09/91/557270991.db2.gz YOWDQOPABKMPDY-CPNJWEJPSA-N 0 0 438.270 5.736 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000033386894 557295986 /nfs/dbraw/zinc/29/59/86/557295986.db2.gz DRGUQLWFWZVQJP-RNJGGXIZSA-N 0 0 447.608 5.910 40 10 IKCBRN CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000113830579 557306946 /nfs/dbraw/zinc/30/69/46/557306946.db2.gz GXCWPEDBCBMXEA-UHFFFAOYSA-N 0 0 430.554 5.157 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830661 557306959 /nfs/dbraw/zinc/30/69/59/557306959.db2.gz YFAMMWDNLFTCST-WQRHYEAKSA-N 0 0 426.450 5.400 40 10 IKCBRN O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830638 557306997 /nfs/dbraw/zinc/30/69/97/557306997.db2.gz NBRYJEJUDFTONP-OAPQASQTSA-N 0 0 447.335 5.279 40 10 IKCBRN O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000113830673 557307006 /nfs/dbraw/zinc/30/70/06/557307006.db2.gz IRYNDFPFLFRRGF-VGOFMYFVSA-N 0 0 426.744 5.214 40 10 IKCBRN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc3ccccc32)C1=O ZINC000113831247 557307298 /nfs/dbraw/zinc/30/72/98/557307298.db2.gz VNKRTGLKAMZJHL-HZHRSRAPSA-N 0 0 427.550 6.407 40 10 IKCBRN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1cccc2ccccc21 ZINC000113834954 557307601 /nfs/dbraw/zinc/30/76/01/557307601.db2.gz KTJZSRYKSBAACT-YZSQISJMSA-N 0 0 447.584 7.552 40 10 IKCBRN CC(Nc1ccc(Cl)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000103920890 557318834 /nfs/dbraw/zinc/31/88/34/557318834.db2.gz BYNGZRNLKNVWAK-QNGOZBTKSA-N 0 0 432.867 5.385 40 10 IKCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000103921007 557318888 /nfs/dbraw/zinc/31/88/88/557318888.db2.gz MDSQOTTYIABGAS-QJOMJCCJSA-N 0 0 442.475 5.131 40 10 IKCBRN CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000033390939 557319204 /nfs/dbraw/zinc/31/92/04/557319204.db2.gz SIAXBDHSHKFNFW-VULIGXMUSA-N 0 0 441.618 5.879 40 10 IKCBRN Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000033390877 557319215 /nfs/dbraw/zinc/31/92/15/557319215.db2.gz WFUOZMYIKBVPMQ-JCMHNJIXSA-N 0 0 441.618 5.797 40 10 IKCBRN Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033391842 557319456 /nfs/dbraw/zinc/31/94/56/557319456.db2.gz KWIVUQBZVWCBNO-MOSHPQCFSA-N 0 0 448.009 5.636 40 10 IKCBRN CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 ZINC000104115309 557320719 /nfs/dbraw/zinc/32/07/19/557320719.db2.gz KDKWRQQOSDIUGF-RQZHXJHFSA-N 0 0 427.533 6.123 40 10 IKCBRN COc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N\c1c[nH]c2ccccc12 ZINC000104219941 557322447 /nfs/dbraw/zinc/32/24/47/557322447.db2.gz QBIHSRMOMHUBMR-OUYNTLDRSA-N 0 0 430.424 6.924 40 10 IKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc(F)c2)c1-c1ccccc1 ZINC000104222711 557322492 /nfs/dbraw/zinc/32/24/92/557322492.db2.gz GLOBJWDLGCXKBW-QPLCGJKRSA-N 0 0 432.549 7.268 40 10 IKCBRN Nc1ccc(/N=N\c2ccc3cc4ccc(/N=N\c5ccc(N)nc5N)cc4nc3c2)c(N)n1 ZINC000104230278 557322779 /nfs/dbraw/zinc/32/27/79/557322779.db2.gz RKDJPLAXPITDOD-WANSBIPISA-N 0 0 449.482 5.338 40 10 IKCBRN COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2Cl)c1C ZINC000104282160 557323964 /nfs/dbraw/zinc/32/39/64/557323964.db2.gz GNPBGPJMZIFDTK-IZHYLOQSSA-N 0 0 425.876 5.246 40 10 IKCBRN O=C(Nc1ccc(Cl)cc1)c1cc2cc(/N=N\c3ccccc3Cl)ccc2oc1=O ZINC000104293076 557324173 /nfs/dbraw/zinc/32/41/73/557324173.db2.gz ARPLBCSMWDQQSD-RQZHXJHFSA-N 0 0 438.270 6.768 40 10 IKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(Br)s1 ZINC000013566447 557344502 /nfs/dbraw/zinc/34/45/02/557344502.db2.gz MJSWILBDHLJFTE-UHFFFAOYSA-N 0 0 448.323 5.191 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222617591 557362719 /nfs/dbraw/zinc/36/27/19/557362719.db2.gz YOXWRAWYOHEFBP-VWMXVWASSA-N 0 0 431.609 5.144 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1C ZINC000222619565 557362858 /nfs/dbraw/zinc/36/28/58/557362858.db2.gz YKXBYXVUZZMYIS-BJQRDSPESA-N 0 0 437.012 6.040 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000222619344 557362963 /nfs/dbraw/zinc/36/29/63/557362963.db2.gz BQPFSGQKXIVOGC-BFMBIBTESA-N 0 0 430.621 6.004 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 ZINC000222697343 557375092 /nfs/dbraw/zinc/37/50/92/557375092.db2.gz GBSFSEJTVGCJNS-JJEOQYAHSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 ZINC000222697472 557375429 /nfs/dbraw/zinc/37/54/29/557375429.db2.gz SKTZDCCDOILRJT-OFAXGOBFSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 ZINC000222697912 557375540 /nfs/dbraw/zinc/37/55/40/557375540.db2.gz WCLYWWIYNIMQKJ-CDNPAEQRSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 ZINC000222700591 557375851 /nfs/dbraw/zinc/37/58/51/557375851.db2.gz UHOYKPULZNYVTL-KSNOWIBYSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 ZINC000222701917 557376070 /nfs/dbraw/zinc/37/60/70/557376070.db2.gz UAVJJNWGUZEXSL-LJGDZFJRSA-N 0 0 444.648 6.394 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 ZINC000222701832 557376155 /nfs/dbraw/zinc/37/61/55/557376155.db2.gz MPWKEGTUXPTTDJ-PKKBDPGCSA-N 0 0 446.576 5.197 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222703002 557376306 /nfs/dbraw/zinc/37/63/06/557376306.db2.gz JDQONKJAVOYORL-YMVVMYQSSA-N 0 0 444.648 6.339 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222703192 557376678 /nfs/dbraw/zinc/37/66/78/557376678.db2.gz JDQONKJAVOYORL-DSBYRVASSA-N 0 0 444.648 6.339 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000222725320 557379563 /nfs/dbraw/zinc/37/95/63/557379563.db2.gz JHSTYVPSWBDGRY-PMACEKPBSA-N 0 0 430.499 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000222743696 557381854 /nfs/dbraw/zinc/38/18/54/557381854.db2.gz CQOMGKGCLIZZDN-WOJBJXKFSA-N 0 0 431.392 5.398 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000222743546 557381941 /nfs/dbraw/zinc/38/19/41/557381941.db2.gz YEUTZILAQZPLOZ-VQTJNVASSA-N 0 0 431.392 5.398 40 10 IKCBRN COc1cc(/C=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc(OC)c1OC ZINC000013633449 557383817 /nfs/dbraw/zinc/38/38/17/557383817.db2.gz UAZNQEKTYMCBSQ-UYRXBGFRSA-N 0 0 430.456 5.486 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000222782922 557386596 /nfs/dbraw/zinc/38/65/96/557386596.db2.gz VKMWVRBMOBFYFQ-RTWAWAEBSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000222782860 557386599 /nfs/dbraw/zinc/38/65/99/557386599.db2.gz VKMWVRBMOBFYFQ-SFTDATJTSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000222788710 557387092 /nfs/dbraw/zinc/38/70/92/557387092.db2.gz FFAQNJRLTQQQRZ-RTWAWAEBSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000222792139 557387303 /nfs/dbraw/zinc/38/73/03/557387303.db2.gz SYGLZJGBMQNHRR-VXKWHMMOSA-N 0 0 441.000 5.144 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O ZINC000222821592 557390464 /nfs/dbraw/zinc/39/04/64/557390464.db2.gz AFPJGWPMWMOHOB-YADHBBJMSA-N 0 0 441.000 5.229 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222829791 557391050 /nfs/dbraw/zinc/39/10/50/557391050.db2.gz NOTFCFYTZJFMCF-YADHBBJMSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222829733 557391072 /nfs/dbraw/zinc/39/10/72/557391072.db2.gz NOTFCFYTZJFMCF-FGZHOGPDSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222829646 557391151 /nfs/dbraw/zinc/39/11/51/557391151.db2.gz KPVLCQJOJVBJDR-VXKWHMMOSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1C ZINC000222836349 557391899 /nfs/dbraw/zinc/39/18/99/557391899.db2.gz QPCOZQDALRCEIH-GOTSBHOMSA-N 0 0 439.028 5.832 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222837351 557392154 /nfs/dbraw/zinc/39/21/54/557392154.db2.gz YHWRBGRAMRROCY-UKILVPOCSA-N 0 0 432.637 5.741 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222837285 557392184 /nfs/dbraw/zinc/39/21/84/557392184.db2.gz YHWRBGRAMRROCY-NOZRDPDXSA-N 0 0 432.637 5.741 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222874175 557396317 /nfs/dbraw/zinc/39/63/17/557396317.db2.gz YTYBKBREKSJABO-FCHUYYIVSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222870735 557396356 /nfs/dbraw/zinc/39/63/56/557396356.db2.gz GRVUQCXBCDRMRR-IZZNHLLZSA-N 0 0 440.616 6.025 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222874769 557396711 /nfs/dbraw/zinc/39/67/11/557396711.db2.gz HEQCWEIEJSUSGD-FGZHOGPDSA-N 0 0 425.001 5.525 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCCOc1ccccc1 ZINC000100270841 557396772 /nfs/dbraw/zinc/39/67/72/557396772.db2.gz XLUMMXOKYAPUDX-HKOYGPOVSA-N 0 0 446.934 5.994 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222880342 557397288 /nfs/dbraw/zinc/39/72/88/557397288.db2.gz KSYBSAWPDKKONL-ZCYQVOJMSA-N 0 0 432.637 5.797 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)c(C)c2)SC1=S ZINC000033430081 557397307 /nfs/dbraw/zinc/39/73/07/557397307.db2.gz RQVPMIJSLIUSDS-ZHZULCJRSA-N 0 0 448.009 5.717 40 10 IKCBRN Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1C ZINC000033430131 557397337 /nfs/dbraw/zinc/39/73/37/557397337.db2.gz MHRWHNPQNPPFFA-MOSHPQCFSA-N 0 0 448.009 5.636 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222918515 557402287 /nfs/dbraw/zinc/40/22/87/557402287.db2.gz FOCWWRXNRKYHCX-LOSJGSFVSA-N 0 0 432.637 5.680 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl ZINC000222919844 557402563 /nfs/dbraw/zinc/40/25/63/557402563.db2.gz UNUAQIFMQZJBMG-XZOQPEGZSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222920048 557402859 /nfs/dbraw/zinc/40/28/59/557402859.db2.gz WLAWGPRPRFPDFT-PKTZIBPZSA-N 0 0 439.028 5.771 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 ZINC000222921946 557403067 /nfs/dbraw/zinc/40/30/67/557403067.db2.gz OOUWBKCZBRBBCN-BJKOFHAPSA-N 0 0 434.609 5.126 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222927722 557404153 /nfs/dbraw/zinc/40/41/53/557404153.db2.gz VAQBUQUPGMBHAO-AHWVRZQESA-N 0 0 446.664 5.988 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222964899 557408931 /nfs/dbraw/zinc/40/89/31/557408931.db2.gz DIACPPVACDFESU-XZOQPEGZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222964618 557409038 /nfs/dbraw/zinc/40/90/38/557409038.db2.gz BYPBIKMZPNPRMC-XZOQPEGZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222964837 557409059 /nfs/dbraw/zinc/40/90/59/557409059.db2.gz DIACPPVACDFESU-PKTZIBPZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222970342 557409821 /nfs/dbraw/zinc/40/98/21/557409821.db2.gz OJUSNJYRXMVZTA-AOYPEHQESA-N 0 0 446.664 6.187 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222972291 557410153 /nfs/dbraw/zinc/41/01/53/557410153.db2.gz RNCCSMHDFKUWEQ-AHWVRZQESA-N 0 0 446.664 6.133 40 10 IKCBRN O=C(Oc1ccc(Cl)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000025843812 557415599 /nfs/dbraw/zinc/41/55/99/557415599.db2.gz LRVYHDMZOZVDLW-UHFFFAOYSA-N 0 0 434.882 6.962 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C ZINC000223052050 557421760 /nfs/dbraw/zinc/42/17/60/557421760.db2.gz VPFRECQFFDFVDQ-RPBOFIJWSA-N 0 0 448.636 5.061 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 ZINC000223052245 557421794 /nfs/dbraw/zinc/42/17/94/557421794.db2.gz LCKDNCRRLTUFOL-JWQCQUIFSA-N 0 0 448.636 5.061 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C ZINC000223052103 557421863 /nfs/dbraw/zinc/42/18/63/557421863.db2.gz VPFRECQFFDFVDQ-LOSJGSFVSA-N 0 0 448.636 5.061 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223058075 557422892 /nfs/dbraw/zinc/42/28/92/557422892.db2.gz KYFXBLBAPWNTFU-DQEYMECFSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223058386 557422952 /nfs/dbraw/zinc/42/29/52/557422952.db2.gz VTLGRSSVIXCKKW-NOZRDPDXSA-N 0 0 448.636 5.115 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 ZINC000223094322 557430351 /nfs/dbraw/zinc/43/03/51/557430351.db2.gz HPTLWIODRHCZHX-RPBOFIJWSA-N 0 0 430.621 5.794 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cc1 ZINC000223095158 557430603 /nfs/dbraw/zinc/43/06/03/557430603.db2.gz CAUREACGIPCJMG-IZZNHLLZSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000223094903 557430605 /nfs/dbraw/zinc/43/06/05/557430605.db2.gz MHDHBDSZEYPDMJ-IZZNHLLZSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cc1 ZINC000223095233 557430618 /nfs/dbraw/zinc/43/06/18/557430618.db2.gz CAUREACGIPCJMG-UIOOFZCWSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F ZINC000223096278 557430845 /nfs/dbraw/zinc/43/08/45/557430845.db2.gz MTJDEEJHPJAJCZ-DQEYMECFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O ZINC000223098538 557431041 /nfs/dbraw/zinc/43/10/41/557431041.db2.gz WYLROHGWWMZNCF-DQEYMECFSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(C)ccn1 ZINC000223104790 557431784 /nfs/dbraw/zinc/43/17/84/557431784.db2.gz VKMBHDFUDVGLEW-JWQCQUIFSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103563303 557438931 /nfs/dbraw/zinc/43/89/31/557438931.db2.gz WTYPWUUMPYUVKE-JFBLTNLISA-N 0 0 431.348 5.568 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000103563337 557439183 /nfs/dbraw/zinc/43/91/83/557439183.db2.gz DCLZNYZOKIDEBF-SIXFRIEVSA-N 0 0 431.348 5.568 40 10 IKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000014406631 557443896 /nfs/dbraw/zinc/44/38/96/557443896.db2.gz KAMFQDFAJYVRRV-STZFKDTASA-N 0 0 435.520 5.095 40 10 IKCBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223199560 557445194 /nfs/dbraw/zinc/44/51/94/557445194.db2.gz IXFXBXXOHOILLK-KDYSTLNUSA-N 0 0 434.624 5.837 40 10 IKCBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223199670 557445241 /nfs/dbraw/zinc/44/52/41/557445241.db2.gz IXFXBXXOHOILLK-JIPXPUAJSA-N 0 0 434.624 5.837 40 10 IKCBRN C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3c4ccccc4cc4ccccc43)[C@H]2C1 ZINC000014549089 557446530 /nfs/dbraw/zinc/44/65/30/557446530.db2.gz GJNFIVDYTRJFOO-BJUSWJRTSA-N 0 0 439.558 8.612 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000014470774 557446983 /nfs/dbraw/zinc/44/69/83/557446983.db2.gz RIKOIBZBXNCHGC-GBNMTWHSSA-N 0 0 430.118 7.035 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014479981 557446988 /nfs/dbraw/zinc/44/69/88/557446988.db2.gz JHILEKOAKBENEZ-QHWMMSMNSA-N 0 0 444.600 6.239 40 10 IKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1 ZINC000014479764 557447033 /nfs/dbraw/zinc/44/70/33/557447033.db2.gz MHAMSIZJENQIOU-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458246 557447047 /nfs/dbraw/zinc/44/70/47/557447047.db2.gz VPPNSECNNWXOCK-CLCZQPDDSA-N 0 0 444.600 6.239 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458518 557447082 /nfs/dbraw/zinc/44/70/82/557447082.db2.gz UKKDATAFPBUNDP-QHWMMSMNSA-N 0 0 444.600 6.239 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223297150 557456800 /nfs/dbraw/zinc/45/68/00/557456800.db2.gz VKCKBFQHIQTPTI-UYAOXDASSA-N 0 0 444.641 5.403 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(C)C ZINC000208779928 557458959 /nfs/dbraw/zinc/45/89/59/557458959.db2.gz ZDFBIRMIZXZBOI-LICLKQGHSA-N 0 0 429.314 5.051 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21 ZINC000223333709 557459991 /nfs/dbraw/zinc/45/99/91/557459991.db2.gz RCYQRVNOKPDISO-DNQXCXABSA-N 0 0 444.604 5.479 40 10 IKCBRN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000169616526 557460524 /nfs/dbraw/zinc/46/05/24/557460524.db2.gz JMZLFTVBMPZFSD-FMWKFLBASA-N 0 0 445.946 5.533 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C ZINC000223343143 557460652 /nfs/dbraw/zinc/46/06/52/557460652.db2.gz PMYIYZBHALOIHH-RPBOFIJWSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000223345145 557460896 /nfs/dbraw/zinc/46/08/96/557460896.db2.gz POZBHOAIFYTJPA-DNQXCXABSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000223374441 557463984 /nfs/dbraw/zinc/46/39/84/557463984.db2.gz BHECDZXIVSFNBG-LOSJGSFVSA-N 0 0 439.588 5.057 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000223458153 557474442 /nfs/dbraw/zinc/47/44/42/557474442.db2.gz POESCYLHAQPPMQ-LOSJGSFVSA-N 0 0 439.588 5.057 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000017086114 557476421 /nfs/dbraw/zinc/47/64/21/557476421.db2.gz VPONDTVYUKCUDO-ZHZULCJRSA-N 0 0 437.326 6.379 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 ZINC000223492860 557479012 /nfs/dbraw/zinc/47/90/12/557479012.db2.gz OZGSHPFWUPPYAD-HMAPJEAMSA-N 0 0 434.630 6.503 40 10 IKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223494202 557479275 /nfs/dbraw/zinc/47/92/75/557479275.db2.gz FOHCSONGHRUFNO-OYKKKHCWSA-N 0 0 446.616 6.642 40 10 IKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cccc(Cl)c3C)C2=O)cc1 ZINC000017097737 557479740 /nfs/dbraw/zinc/47/97/40/557479740.db2.gz GJMQVTQRDFYJIV-QJOMJCCJSA-N 0 0 431.923 5.794 40 10 IKCBRN CC(NCCc1ccc(Cl)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017098665 557481600 /nfs/dbraw/zinc/48/16/00/557481600.db2.gz SGJOSARJKOAMGE-QJOMJCCJSA-N 0 0 433.914 5.336 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223518274 557481682 /nfs/dbraw/zinc/48/16/82/557481682.db2.gz CSHSFXAHMNBTBD-UCQKPKSFSA-N 0 0 448.657 6.811 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000223533644 557482859 /nfs/dbraw/zinc/48/28/59/557482859.db2.gz RAIXEFYTPFWZBP-DQEYMECFSA-N 0 0 439.588 5.057 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223539539 557483285 /nfs/dbraw/zinc/48/32/85/557483285.db2.gz UAVPZCDEMIBAJB-GLFIFPSUSA-N 0 0 438.568 6.174 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223539785 557483315 /nfs/dbraw/zinc/48/33/15/557483315.db2.gz GIHDTRBFXCZLME-PVFDWLMNSA-N 0 0 434.605 6.344 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223568171 557487043 /nfs/dbraw/zinc/48/70/43/557487043.db2.gz BHNNOWHNQHYSEZ-RIWZNOJBSA-N 0 0 435.543 5.419 40 10 IKCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223568250 557487069 /nfs/dbraw/zinc/48/70/69/557487069.db2.gz SWAPHRPZQHJYHT-CSMVZQPBSA-N 0 0 431.580 5.589 40 10 IKCBRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccccc2O)Nc2ccccc2S3)cc1 ZINC000017095880 557487098 /nfs/dbraw/zinc/48/70/98/557487098.db2.gz IWGHOXXHBAKYFF-JOCHJYFZSA-N 0 0 428.513 5.041 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586506 557489123 /nfs/dbraw/zinc/48/91/23/557489123.db2.gz XFRCPIIWEXELFG-RIWZNOJBSA-N 0 0 435.543 5.339 40 10 IKCBRN Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223605157 557490999 /nfs/dbraw/zinc/49/09/99/557490999.db2.gz DKLKLRYNMZSJEG-ICODJCHTSA-N 0 0 431.605 5.266 40 10 IKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223610990 557491493 /nfs/dbraw/zinc/49/14/93/557491493.db2.gz MQSRNNNFRVLDIR-YODDIOPGSA-N 0 0 444.597 5.095 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223617049 557492505 /nfs/dbraw/zinc/49/25/05/557492505.db2.gz DCPRZZJZEDTICQ-JVMBGAFUSA-N 0 0 431.580 5.589 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(C)cc2C)cc1 ZINC000019634207 557502461 /nfs/dbraw/zinc/50/24/61/557502461.db2.gz DSJCNLNQARKDCV-PLRJNAJWSA-N 0 0 441.531 5.458 40 10 IKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 ZINC000019634186 557502525 /nfs/dbraw/zinc/50/25/25/557502525.db2.gz SGTKRAVDCHFPNE-BWAHOGKJSA-N 0 0 441.531 5.403 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccc(Cl)cc2)cc1 ZINC000019644115 557504438 /nfs/dbraw/zinc/50/44/38/557504438.db2.gz DHZORRIMRHPROS-MOHJPFBDSA-N 0 0 445.950 5.206 40 10 IKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000223780432 557512221 /nfs/dbraw/zinc/51/22/21/557512221.db2.gz HZBCVSHQKMBVBU-JWQCQUIFSA-N 0 0 440.572 5.366 40 10 IKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000223780352 557512277 /nfs/dbraw/zinc/51/22/77/557512277.db2.gz HZBCVSHQKMBVBU-RPBOFIJWSA-N 0 0 440.572 5.366 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000020076130 557514708 /nfs/dbraw/zinc/51/47/08/557514708.db2.gz UEIMRZQZJFRYFC-LTGZKZEYSA-N 0 0 429.903 5.988 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 ZINC000223855163 557521418 /nfs/dbraw/zinc/52/14/18/557521418.db2.gz LMKPJWBWRDINOD-JWQCQUIFSA-N 0 0 440.572 5.372 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000223922371 557529232 /nfs/dbraw/zinc/52/92/32/557529232.db2.gz YZZGJYLDRHSVPZ-UHFFFAOYSA-N 0 0 433.390 5.114 40 10 IKCBRN Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000004048157 557530679 /nfs/dbraw/zinc/53/06/79/557530679.db2.gz MWPIHIXYMYKFQK-JCGVRSQUSA-N 0 0 442.127 6.425 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000223968813 557536094 /nfs/dbraw/zinc/53/60/94/557536094.db2.gz LUBUGHQRESHYDW-UHFFFAOYSA-N 0 0 434.605 5.634 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 ZINC000224155531 557567676 /nfs/dbraw/zinc/56/76/76/557567676.db2.gz KTCVTZFCZUEMGM-JWQCQUIFSA-N 0 0 440.616 5.890 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C ZINC000224163682 557568973 /nfs/dbraw/zinc/56/89/73/557568973.db2.gz BLUIHMSJZVTQRX-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000224163989 557569141 /nfs/dbraw/zinc/56/91/41/557569141.db2.gz PVXZIHITBWVNLF-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000224163804 557569210 /nfs/dbraw/zinc/56/92/10/557569210.db2.gz OVLHSRHEXLTFRW-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000224167377 557569628 /nfs/dbraw/zinc/56/96/28/557569628.db2.gz FAQHOVBRQSMSFX-LOSJGSFVSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000224195198 557573685 /nfs/dbraw/zinc/57/36/85/557573685.db2.gz AKYKFFWLFYQKDR-JWQCQUIFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000224201102 557574792 /nfs/dbraw/zinc/57/47/92/557574792.db2.gz VPUCDDTZNSKJPF-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000224201186 557574849 /nfs/dbraw/zinc/57/48/49/557574849.db2.gz VPUCDDTZNSKJPF-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000224201132 557574889 /nfs/dbraw/zinc/57/48/89/557574889.db2.gz VPUCDDTZNSKJPF-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000224227697 557577859 /nfs/dbraw/zinc/57/78/59/557577859.db2.gz DQDLFASGBLWHCF-DQEYMECFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000224392155 557600903 /nfs/dbraw/zinc/60/09/03/557600903.db2.gz NFUUQZXLZJMQBZ-DNQXCXABSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000224397853 557601604 /nfs/dbraw/zinc/60/16/04/557601604.db2.gz ULXOVFQSZBRNTE-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 ZINC000224416506 557603904 /nfs/dbraw/zinc/60/39/04/557603904.db2.gz DQIHYZQUKVTYBX-DNQXCXABSA-N 0 0 428.536 5.497 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 ZINC000224424194 557604683 /nfs/dbraw/zinc/60/46/83/557604683.db2.gz XLSQKEKVKVCYIW-ZEQRLZLVSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 ZINC000224431056 557605617 /nfs/dbraw/zinc/60/56/17/557605617.db2.gz ZSHRWRZCWPLUOL-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 ZINC000224450023 557607383 /nfs/dbraw/zinc/60/73/83/557607383.db2.gz QWBALFXTCDIIPV-RPWUZVMVSA-N 0 0 428.536 5.497 40 10 IKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000224586584 557627577 /nfs/dbraw/zinc/62/75/77/557627577.db2.gz RSHYSMRJGGIOFW-LOSJGSFVSA-N 0 0 440.572 5.366 40 10 IKCBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224725210 557644321 /nfs/dbraw/zinc/64/43/21/557644321.db2.gz HMCIACNNQLQZDF-BUEREQSYSA-N 0 0 434.624 5.837 40 10 IKCBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224725157 557644413 /nfs/dbraw/zinc/64/44/13/557644413.db2.gz HMCIACNNQLQZDF-PBDKAQRYSA-N 0 0 434.624 5.837 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 ZINC000225007602 557676794 /nfs/dbraw/zinc/67/67/94/557676794.db2.gz JWLZFVIWOXUKMZ-DNQXCXABSA-N 0 0 432.637 5.628 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000225014140 557677686 /nfs/dbraw/zinc/67/76/86/557677686.db2.gz BAPYCIJJVNOYOF-LOSJGSFVSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000225015263 557678067 /nfs/dbraw/zinc/67/80/67/557678067.db2.gz VSKZGSZGNAQOTG-DNQXCXABSA-N 0 0 434.584 5.543 40 10 IKCBRN 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ZINC000225416701 557720661 /nfs/dbraw/zinc/72/06/61/557720661.db2.gz AGCXPHANNBKMPF-UHFFFAOYSA-N 0 0 447.673 6.456 40 10 IKCBRN S=C(NCCCN1CCc2ccccc21)Nc1ccc(CSc2ccccc2)cc1 ZINC000225559791 557742364 /nfs/dbraw/zinc/74/23/64/557742364.db2.gz IZVXLURXCUNUJV-UHFFFAOYSA-N 0 0 433.646 5.718 40 10 IKCBRN CN(CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 ZINC000225571801 557744669 /nfs/dbraw/zinc/74/46/69/557744669.db2.gz VHHZOOTYSWSMDD-UHFFFAOYSA-N 0 0 445.632 5.638 40 10 IKCBRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br ZINC000225655068 557757464 /nfs/dbraw/zinc/75/74/64/557757464.db2.gz RDWHREUGWUSCLJ-KRWDZBQOSA-N 0 0 446.458 6.041 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000225656326 557757645 /nfs/dbraw/zinc/75/76/45/557757645.db2.gz XOAWCZQXEDYXKC-IBGZPJMESA-N 0 0 439.625 5.456 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225655985 557757676 /nfs/dbraw/zinc/75/76/76/557757676.db2.gz 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ZINC000225671069 557760609 /nfs/dbraw/zinc/76/06/09/557760609.db2.gz UIYZBTYTANWULG-UXHICEINSA-N 0 0 437.653 6.292 40 10 IKCBRN C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671284 557760690 /nfs/dbraw/zinc/76/06/90/557760690.db2.gz DWIPCJOVSVZERK-MOPGFXCFSA-N 0 0 436.625 5.097 40 10 IKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000225690590 557764210 /nfs/dbraw/zinc/76/42/10/557764210.db2.gz MTJKVLWBBXFVJC-AWEZNQCLSA-N 0 0 441.950 6.082 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCC2)cc1 ZINC000225695401 557765317 /nfs/dbraw/zinc/76/53/17/557765317.db2.gz MBHPDJGRMHHWFY-ZDUSSCGKSA-N 0 0 438.822 5.750 40 10 IKCBRN CCN(CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000225733602 557770183 /nfs/dbraw/zinc/77/01/83/557770183.db2.gz YPGURNPUZLBVQD-UHFFFAOYSA-N 0 0 429.939 5.870 40 10 IKCBRN S=C(NCCCN1CCCc2ccccc21)Nc1ccc(CSc2ccccc2)cc1 ZINC000225745761 557772209 /nfs/dbraw/zinc/77/22/09/557772209.db2.gz SQOAPVQMUQUVNI-UHFFFAOYSA-N 0 0 447.673 6.108 40 10 IKCBRN COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2oc(Cl)nc2c1 ZINC000225982625 557798914 /nfs/dbraw/zinc/79/89/14/557798914.db2.gz NDAHKLBYSNSSJQ-UHFFFAOYSA-N 0 0 437.927 5.178 40 10 IKCBRN CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2oc(Cl)nc2c1 ZINC000225986044 557799355 /nfs/dbraw/zinc/79/93/55/557799355.db2.gz YRFUTZDSRWPIDX-UHFFFAOYSA-N 0 0 435.955 6.331 40 10 IKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000033345241 557807113 /nfs/dbraw/zinc/80/71/13/557807113.db2.gz JZPBETXWKQJPAE-OEAKJJBVSA-N 0 0 444.556 6.235 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000033529753 557808081 /nfs/dbraw/zinc/80/80/81/557808081.db2.gz BVPSPISRKNHRDE-JAIQZWGSSA-N 0 0 426.900 6.128 40 10 IKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058849037 557811806 /nfs/dbraw/zinc/81/18/06/557811806.db2.gz NZUUYQVYTNDFTA-LZCXECNNSA-N 0 0 446.572 5.713 40 10 IKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058847486 557811843 /nfs/dbraw/zinc/81/18/43/557811843.db2.gz JTJJBDNMJNJADI-YZUZCNPQSA-N 0 0 436.964 5.967 40 10 IKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000058848544 557811897 /nfs/dbraw/zinc/81/18/97/557811897.db2.gz NMYYKHKJXOKOLF-PPJWLVRDSA-N 0 0 446.572 5.713 40 10 IKCBRN O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058847069 557811903 /nfs/dbraw/zinc/81/19/03/557811903.db2.gz GNVWTCIEQXBUDH-GLDPYIMESA-N 0 0 438.499 5.592 40 10 IKCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000058850480 557811924 /nfs/dbraw/zinc/81/19/24/557811924.db2.gz WQGIAIBQWXTEQY-UHFFFAOYSA-N 0 0 428.863 5.567 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N4)sc2c1 ZINC000058851190 557812121 /nfs/dbraw/zinc/81/21/21/557812121.db2.gz WVCJLWAZWSAWRQ-RNHFSVANSA-N 0 0 439.540 7.006 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc5c(c3)OCO5)N4)sc2c1 ZINC000058851215 557812127 /nfs/dbraw/zinc/81/21/27/557812127.db2.gz XOKOBLQTNGTYAK-MVYHEMRASA-N 0 0 438.552 6.827 40 10 IKCBRN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000058865732 557812136 /nfs/dbraw/zinc/81/21/36/557812136.db2.gz PBLMOFVVOVMACP-UHFFFAOYSA-N 0 0 444.325 5.000 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000058865621 557812153 /nfs/dbraw/zinc/81/21/53/557812153.db2.gz MCXFPZMUKUCXHC-UHFFFAOYSA-N 0 0 447.314 5.716 40 10 IKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000058851381 557812187 /nfs/dbraw/zinc/81/21/87/557812187.db2.gz CTIWOXFKGAPSQO-DDBGAENHSA-N 0 0 425.699 6.390 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3c(F)cccc3Cl)N4)sc2c1 ZINC000058851048 557812194 /nfs/dbraw/zinc/81/21/94/557812194.db2.gz ZBCFUSVHHMGBRX-LEHBWIKQSA-N 0 0 446.978 7.891 40 10 IKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000058851403 557812209 /nfs/dbraw/zinc/81/22/09/557812209.db2.gz MLNJKKSMCCNNRR-VBURHUQHSA-N 0 0 426.774 7.725 40 10 IKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845627 557812702 /nfs/dbraw/zinc/81/27/02/557812702.db2.gz RKBNRHOYWHWFJE-YZUZCNPQSA-N 0 0 447.516 5.222 40 10 IKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845672 557812745 /nfs/dbraw/zinc/81/27/45/557812745.db2.gz OPQVRUICMNOZRD-XXAUWVGASA-N 0 0 444.600 6.239 40 10 IKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058845676 557812762 /nfs/dbraw/zinc/81/27/62/557812762.db2.gz SQMDKSLSCHAHJX-CEYNDMKZSA-N 0 0 434.536 5.761 40 10 IKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000058846312 557813033 /nfs/dbraw/zinc/81/30/33/557813033.db2.gz BROYHSSJCVBRHT-UNVFRBQDSA-N 0 0 448.563 6.070 40 10 IKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1 ZINC000058845797 557813070 /nfs/dbraw/zinc/81/30/70/557813070.db2.gz CNZARGNFCPYYGW-OBTVHEKISA-N 0 0 444.600 6.239 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1 ZINC000058845919 557813118 /nfs/dbraw/zinc/81/31/18/557813118.db2.gz BTOUUKMUZHBBMJ-SGIRGMQISA-N 0 0 434.536 5.761 40 10 IKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 ZINC000058846298 557813122 /nfs/dbraw/zinc/81/31/22/557813122.db2.gz ZZJRMILGPRNCLX-VVZHRXSXSA-N 0 0 430.573 5.931 40 10 IKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928557 557813250 /nfs/dbraw/zinc/81/32/50/557813250.db2.gz GCSGBHMZOVNOBA-DXBVXKBHSA-N 0 0 426.516 6.617 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1C ZINC000058846513 557813274 /nfs/dbraw/zinc/81/32/74/557813274.db2.gz LTKZAWYPDWVCRJ-UZINWLIJSA-N 0 0 448.563 6.070 40 10 IKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928545 557813325 /nfs/dbraw/zinc/81/33/25/557813325.db2.gz VQYWZNFTQDDXRS-DXBVXKBHSA-N 0 0 426.516 6.617 40 10 IKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 ZINC000058928574 557813349 /nfs/dbraw/zinc/81/33/49/557813349.db2.gz DOTAMTQZBJGERC-UMFSSWHCSA-N 0 0 447.962 6.763 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 ZINC000058929116 557813571 /nfs/dbraw/zinc/81/35/71/557813571.db2.gz KHXFQFWLMXNSDC-FTLABTOESA-N 0 0 435.705 5.846 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000058884040 557814721 /nfs/dbraw/zinc/81/47/21/557814721.db2.gz FQHFUVJESKYQOS-PDGQHHTCSA-N 0 0 430.331 5.994 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000058884032 557814743 /nfs/dbraw/zinc/81/47/43/557814743.db2.gz RZLMIIVOTRVHRF-MOSHPQCFSA-N 0 0 440.337 5.450 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000059138763 557816284 /nfs/dbraw/zinc/81/62/84/557816284.db2.gz DTTGKFYXARNFBR-KOEQRZSOSA-N 0 0 449.510 5.256 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000059167680 557817185 /nfs/dbraw/zinc/81/71/85/557817185.db2.gz SNXJJEXIEDEAMM-SXGWCWSVSA-N 0 0 438.357 5.434 40 10 IKCBRN CCN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000059167698 557817343 /nfs/dbraw/zinc/81/73/43/557817343.db2.gz LSGKUNCQSLVHOV-VXLYETTFSA-N 0 0 447.412 6.218 40 10 IKCBRN CCN1C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000059182241 557817776 /nfs/dbraw/zinc/81/77/76/557817776.db2.gz UMLGWDBCTROMOC-HYARGMPZSA-N 0 0 439.540 5.330 40 10 IKCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C(=O)NC1=S ZINC000059182273 557817791 /nfs/dbraw/zinc/81/77/91/557817791.db2.gz DVTSSJFOXWCBSW-PXLXIMEGSA-N 0 0 435.593 5.629 40 10 IKCBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000059186090 557817969 /nfs/dbraw/zinc/81/79/69/557817969.db2.gz FCHCXAWDCQZSKO-NHDPSOOVSA-N 0 0 436.408 6.340 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000059435667 557820647 /nfs/dbraw/zinc/82/06/47/557820647.db2.gz BROLJUADDCZBAT-UQQQWYQISA-N 0 0 439.511 5.138 40 10 IKCBRN O=C1C(=Cc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059391350 557822420 /nfs/dbraw/zinc/82/24/20/557822420.db2.gz KSQIUYNTJWNHLW-UHFFFAOYSA-N 0 0 447.288 5.033 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000059399130 557822594 /nfs/dbraw/zinc/82/25/94/557822594.db2.gz STQTUGFCNTYNLM-QJOMJCCJSA-N 0 0 438.577 6.300 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1 ZINC000059401498 557822618 /nfs/dbraw/zinc/82/26/18/557822618.db2.gz SHCOQESMARPUJA-UZEJHQAJSA-N 0 0 435.479 5.075 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1C1CCCCC1 ZINC000059418181 557823162 /nfs/dbraw/zinc/82/31/62/557823162.db2.gz IPNOOJHJDXGIIR-KGENOOAVSA-N 0 0 427.566 5.939 40 10 IKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000059418070 557823164 /nfs/dbraw/zinc/82/31/64/557823164.db2.gz ZZFIKCDWLGCHJI-XSFVSMFZSA-N 0 0 435.526 5.529 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1 ZINC000059418166 557823176 /nfs/dbraw/zinc/82/31/76/557823176.db2.gz FUMRAUPUPLKOMI-HYARGMPZSA-N 0 0 435.545 5.806 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1C1CCCCC1 ZINC000059418182 557823192 /nfs/dbraw/zinc/82/31/92/557823192.db2.gz QCBJVYOYVKUCAP-KGENOOAVSA-N 0 0 427.566 5.939 40 10 IKCBRN Cc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484870 557825512 /nfs/dbraw/zinc/82/55/12/557825512.db2.gz OXYXRVKAVRPSGG-XIEYBQDHSA-N 0 0 446.506 6.040 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1OCC ZINC000059959377 557828083 /nfs/dbraw/zinc/82/80/83/557828083.db2.gz BFTMHFHSGMAVAL-JCMHNJIXSA-N 0 0 449.547 5.055 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408754722 568614154 /nfs/dbraw/zinc/61/41/54/568614154.db2.gz HGQPWBLAVSEKDO-QGOAFFKASA-N 0 0 435.882 5.968 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000001181550 568736221 /nfs/dbraw/zinc/73/62/21/568736221.db2.gz FFFLILXCLACWJF-SXGWCWSVSA-N 0 0 440.373 5.412 40 10 IKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000102898321 568890151 /nfs/dbraw/zinc/89/01/51/568890151.db2.gz VNCOQNSZBGMLLD-CYYJNZCTSA-N 0 0 433.537 5.483 40 10 IKCBRN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000026680995 568906920 /nfs/dbraw/zinc/90/69/20/568906920.db2.gz DPUJFRJDYWASKS-NOEYKIMYSA-N 0 0 427.591 5.489 40 10 IKCBRN CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)[NH+]1CCCC1)c([O-])c1ccccc21 ZINC000001448570 568909081 /nfs/dbraw/zinc/90/90/81/568909081.db2.gz YRLOQKKAVIXGMB-QHCPKHFHSA-N 0 0 430.504 5.357 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O ZINC000001841824 569211181 /nfs/dbraw/zinc/21/11/81/569211181.db2.gz DSLCGJHPSJIZLX-RSROGPGRSA-N 0 0 436.602 5.561 40 10 IKCBRN COc1ccc(-c2csc(=Nc3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001466365 569212369 /nfs/dbraw/zinc/21/23/69/569212369.db2.gz QKZRRGSYSBVQHQ-HSZRJFAPSA-O 0 0 448.524 5.097 40 10 IKCBRN O=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000010039253 569220760 /nfs/dbraw/zinc/22/07/60/569220760.db2.gz XBPATECPRFULHX-NDEPHWFRSA-N 0 0 447.563 5.674 40 10 IKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 ZINC000036081151 569248667 /nfs/dbraw/zinc/24/86/67/569248667.db2.gz VFWUOVRUMHJQBD-UMFSSWHCSA-N 0 0 439.511 5.909 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000144206885 569255008 /nfs/dbraw/zinc/25/50/08/569255008.db2.gz KXVYXQLNBRKORY-KQWNVCNZSA-N 0 0 430.573 6.633 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)S2)cc1 ZINC000033628860 569259472 /nfs/dbraw/zinc/25/94/72/569259472.db2.gz KBSISCFRKOEWOL-KELUXRKGSA-N 0 0 444.984 6.171 40 10 IKCBRN CCN1C(=O)/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)SC1=S ZINC000033742015 569259697 /nfs/dbraw/zinc/25/96/97/569259697.db2.gz SJRBTYHCHVWXQO-XKZIYDEJSA-N 0 0 430.554 5.512 40 10 IKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000040006337 569260320 /nfs/dbraw/zinc/26/03/20/569260320.db2.gz OXVOVKKIIGLFBG-HRVJUDJTSA-N 0 0 445.993 5.299 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000040005923 569260416 /nfs/dbraw/zinc/26/04/16/569260416.db2.gz XDEDFNAQSCWMIF-UNOMPAQXSA-N 0 0 433.982 5.539 40 10 IKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000040006338 569260421 /nfs/dbraw/zinc/26/04/21/569260421.db2.gz OXVOVKKIIGLFBG-BDBXIWDTSA-N 0 0 445.993 5.299 40 10 IKCBRN Cc1ccc(C(=O)N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1 ZINC000107702196 569260460 /nfs/dbraw/zinc/26/04/60/569260460.db2.gz LFQNPAMEDJEXSU-HAHDFKILSA-N 0 0 439.561 6.343 40 10 IKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000107670319 569260518 /nfs/dbraw/zinc/26/05/18/569260518.db2.gz BHVSTCFNXHZVOV-BKUYFWCQSA-N 0 0 438.911 6.141 40 10 IKCBRN S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCCC1 ZINC000104533759 569260545 /nfs/dbraw/zinc/26/05/45/569260545.db2.gz FJMOPSGGQCTECU-UHFFFAOYSA-N 0 0 436.584 6.662 40 10 IKCBRN Cc1ccc(COc2ccc(C=C3SC(Nc4ccc(C)cc4)=NC3=O)cc2Cl)cc1 ZINC000107834937 569260628 /nfs/dbraw/zinc/26/06/28/569260628.db2.gz IIXSCYGWVYCQOU-UCQKPKSFSA-N 0 0 448.975 6.618 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)SC1=S ZINC000108271385 569260914 /nfs/dbraw/zinc/26/09/14/569260914.db2.gz XUJJBOQQBWEMGS-HAHDFKILSA-N 0 0 448.613 5.894 40 10 IKCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000138635470 569261076 /nfs/dbraw/zinc/26/10/76/569261076.db2.gz XIUFKAVTYYANIB-UHFFFAOYSA-N 0 0 440.499 5.682 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208308813 569261182 /nfs/dbraw/zinc/26/11/82/569261182.db2.gz UAVPZCDEMIBAJB-NXUSMQHESA-N 0 0 438.568 6.174 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C ZINC000208308862 569261213 /nfs/dbraw/zinc/26/12/13/569261213.db2.gz BATHUNXWPSNHAN-NXUSMQHESA-N 0 0 438.568 6.174 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325658 569261325 /nfs/dbraw/zinc/26/13/25/569261325.db2.gz HVKVFBUIKYPYIK-VVRYKASASA-N 0 0 436.646 6.513 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)SC1=S ZINC000208717676 569261367 /nfs/dbraw/zinc/26/13/67/569261367.db2.gz UXRSOZLVHVTAHX-UCQKPKSFSA-N 0 0 428.582 6.064 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208327442 569261421 /nfs/dbraw/zinc/26/14/21/569261421.db2.gz XFRCPIIWEXELFG-VYZAVGSRSA-N 0 0 435.543 5.339 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000215141495 569261483 /nfs/dbraw/zinc/26/14/83/569261483.db2.gz POCUVDHEYPBXTG-RGVLZGJSSA-N 0 0 430.932 5.624 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000214950024 569261512 /nfs/dbraw/zinc/26/15/12/569261512.db2.gz OTGQXSPCMIRINL-LFVJCYFKSA-N 0 0 428.557 5.985 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260735501 569281360 /nfs/dbraw/zinc/28/13/60/569281360.db2.gz JJDXLSQNYLAILV-JKSUJKDBSA-N 0 0 432.431 5.733 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260567369 569281218 /nfs/dbraw/zinc/28/12/18/569281218.db2.gz KVZZZKBGMQGYOL-NLKUQUHMSA-N 0 0 434.605 6.424 40 10 IKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O ZINC000260572375 569281309 /nfs/dbraw/zinc/28/13/09/569281309.db2.gz UZDNCHARNPYWDT-XRVUZATCSA-N 0 0 444.597 5.093 40 10 IKCBRN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577547 569281311 /nfs/dbraw/zinc/28/13/11/569281311.db2.gz BUAJZNRRODSVAX-XZOQPEGZSA-N 0 0 426.604 6.322 40 10 IKCBRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577826 569281357 /nfs/dbraw/zinc/28/13/57/569281357.db2.gz MZRZLTGBYHJCPF-FCHUYYIVSA-N 0 0 428.576 5.993 40 10 IKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577710 569281436 /nfs/dbraw/zinc/28/14/36/569281436.db2.gz JQOKOQILDZDYOK-WOVHNISZSA-N 0 0 430.592 6.111 40 10 IKCBRN C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260733067 569281448 /nfs/dbraw/zinc/28/14/48/569281448.db2.gz DWIPCJOVSVZERK-RBUKOAKNSA-N 0 0 436.625 5.097 40 10 IKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 ZINC000260755900 569281467 /nfs/dbraw/zinc/28/14/67/569281467.db2.gz CEZFZHAFRFTQNL-KBJGYGKASA-N 0 0 439.028 5.956 40 10 IKCBRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260740889 569281477 /nfs/dbraw/zinc/28/14/77/569281477.db2.gz AIMDWSKCMZQSQB-IRXDYDNUSA-N 0 0 435.008 5.826 40 10 IKCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12 ZINC000260742553 569281499 /nfs/dbraw/zinc/28/14/99/569281499.db2.gz XJMKOVXAGKYEIN-ROUUACIJSA-N 0 0 434.609 5.527 40 10 IKCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12 ZINC000260742561 569281553 /nfs/dbraw/zinc/28/15/53/569281553.db2.gz XJMKOVXAGKYEIN-ZWKOTPCHSA-N 0 0 434.609 5.527 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000260766411 569281577 /nfs/dbraw/zinc/28/15/77/569281577.db2.gz JXKDGJOTPSZTDE-QFWMQHCXSA-N 0 0 432.593 5.477 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc2ccccc21 ZINC000260771905 569281592 /nfs/dbraw/zinc/28/15/92/569281592.db2.gz LZXJBZYRQQTJJP-YKQNXRHISA-N 0 0 438.600 6.232 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)c1C ZINC000260771862 569281624 /nfs/dbraw/zinc/28/16/24/569281624.db2.gz LVNZTOWCSSOPBQ-KSNOWIBYSA-N 0 0 430.621 6.031 40 10 IKCBRN 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556251683 /nfs/dbraw/zinc/25/16/83/556251683.db2.gz UOAYBBJMUVPLAN-MPGAHLTBSA-N 0 0 431.582 6.228 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000009232384 556261665 /nfs/dbraw/zinc/26/16/65/556261665.db2.gz FHUYXAYDYWPBAS-LDADJPATSA-N 0 0 444.002 6.798 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000009233334 556262003 /nfs/dbraw/zinc/26/20/03/556262003.db2.gz NSCTZCJJJRYTKM-XDHOZWIPSA-N 0 0 433.360 5.830 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000009233465 556262358 /nfs/dbraw/zinc/26/23/58/556262358.db2.gz RKRIZGZWVBPFDI-CPNJWEJPSA-N 0 0 443.366 5.286 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000009239554 556265823 /nfs/dbraw/zinc/26/58/23/556265823.db2.gz RXGRWRCYCNFSFQ-HYARGMPZSA-N 0 0 435.545 5.806 40 10 IKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000036080677 556271848 /nfs/dbraw/zinc/27/18/48/556271848.db2.gz 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O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000040007077 556445938 /nfs/dbraw/zinc/44/59/38/556445938.db2.gz NPVKIYQGJSGUTI-DIBXZPPDSA-N 0 0 448.497 6.239 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000408891862 556478238 /nfs/dbraw/zinc/47/82/38/556478238.db2.gz DCXUFNDEUQICHI-ATVHPVEESA-N 0 0 432.303 5.269 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408896720 556482503 /nfs/dbraw/zinc/48/25/03/556482503.db2.gz ZHOLCMQTWWAYCW-AQTBWJFISA-N 0 0 446.330 5.659 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408902365 556489297 /nfs/dbraw/zinc/48/92/97/556489297.db2.gz NGJMDPXXPUWHTC-JJIBRWJFSA-N 0 0 446.641 6.843 40 10 IKCBRN CCOc1cc(OCC)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408903237 556489592 /nfs/dbraw/zinc/48/95/92/556489592.db2.gz WDFAHOONHKPCKO-GZTJUZNOSA-N 0 0 429.314 5.053 40 10 IKCBRN O=C1/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)SC(=S)N1c1ccccc1 ZINC000408902657 556489861 /nfs/dbraw/zinc/48/98/61/556489861.db2.gz PILYZSXJODIFQS-SFQUDFHCSA-N 0 0 435.555 5.713 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408903319 556490892 /nfs/dbraw/zinc/49/08/92/556490892.db2.gz XGCKVTDNAWFGSK-CIAFOILYSA-N 0 0 449.557 5.717 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408904921 556492749 /nfs/dbraw/zinc/49/27/49/556492749.db2.gz QKVMWEXCDMJQSC-XSFVSMFZSA-N 0 0 437.326 6.379 40 10 IKCBRN COc1ccc(/C=C/C(=C2/C(C)=NN(c3ccccc3)C2=O)c2ccc(C)cc2)cc1OC ZINC000036612716 556510750 /nfs/dbraw/zinc/51/07/50/556510750.db2.gz GTLWMTOPFAVTOX-PYEZLECFSA-N 0 0 438.527 5.902 40 10 IKCBRN CN(C)c1ccc(/N=N\c2ccc(N3CCCCC3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000015239900 556513309 /nfs/dbraw/zinc/51/33/09/556513309.db2.gz YNUABFLHEKCFBP-ZIADKAODSA-N 0 0 438.531 5.934 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000013547488 556514126 /nfs/dbraw/zinc/51/41/26/556514126.db2.gz DTNLVIHPKKOAPN-CLCOLTQESA-N 0 0 433.621 5.458 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000015277408 556514810 /nfs/dbraw/zinc/51/48/10/556514810.db2.gz AVPKPXVQWBJEAK-VIZOYTHASA-N 0 0 425.318 5.616 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408926784 556522502 /nfs/dbraw/zinc/52/25/02/556522502.db2.gz YMVPRYGCGSZNBB-UCQKPKSFSA-N 0 0 427.550 6.061 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000032124816 556533660 /nfs/dbraw/zinc/53/36/60/556533660.db2.gz DEWKBQAFCCXSLO-KGENOOAVSA-N 0 0 429.501 5.861 40 10 IKCBRN Cc1cccc(Cn2cc(/C=C3\C=C(c4ccc(Cl)cc4)OC3=O)c3ccccc32)c1 ZINC000032139011 556536863 /nfs/dbraw/zinc/53/68/63/556536863.db2.gz NVHYJIDPVFVHIR-KGENOOAVSA-N 0 0 425.915 6.633 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408943459 556540787 /nfs/dbraw/zinc/54/07/87/556540787.db2.gz SHAHAVFEUJJEQC-DEDYPNTBSA-N 0 0 448.881 5.500 40 10 IKCBRN CN(C)c1ccc(/C=C2\S[C@H](c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000032597795 556542642 /nfs/dbraw/zinc/54/26/42/556542642.db2.gz DBUNPJIDBGGFBP-DLBLZJNESA-N 0 0 436.964 5.931 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000408946209 556546688 /nfs/dbraw/zinc/54/66/88/556546688.db2.gz YNFGAGRNAPOPBA-NLRVBDNBSA-N 0 0 446.506 5.861 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013676057 556554138 /nfs/dbraw/zinc/55/41/38/556554138.db2.gz IPAHQIRCYJJNPK-NCELDCMTSA-N 0 0 430.979 6.187 40 10 IKCBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015906845 556562741 /nfs/dbraw/zinc/56/27/41/556562741.db2.gz MEESALJQUCAWEM-QHCPKHFHSA-O 0 0 432.525 5.396 40 10 IKCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000015932154 556565380 /nfs/dbraw/zinc/56/53/80/556565380.db2.gz SAHHRWZSOAHXQW-LZYBPNLTSA-N 0 0 426.346 5.070 40 10 IKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@@H]1CC=C[C@H]21 ZINC000034871227 556584798 /nfs/dbraw/zinc/58/47/98/556584798.db2.gz MNMRDHYUXWCWFH-ZEVJAHDQSA-N 0 0 442.515 6.317 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000016292359 556598096 /nfs/dbraw/zinc/59/80/96/556598096.db2.gz KCENXHSVUHYIOA-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN Cc1ccccc1NC(=O)C1=Cc2ccccc2C(=NNc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000038611068 556615105 /nfs/dbraw/zinc/61/51/05/556615105.db2.gz NWDMDFAMCIHORB-BYYHNAKLSA-N 0 0 440.459 6.738 40 10 IKCBRN COc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408975187 556615685 /nfs/dbraw/zinc/61/56/85/556615685.db2.gz KCXRDRSBKUFAGI-UHFFFAOYSA-N 0 0 429.479 6.350 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000016678596 556623243 /nfs/dbraw/zinc/62/32/43/556623243.db2.gz WZFAPUDZFXXWRT-UHFFFAOYSA-N 0 0 441.575 6.891 40 10 IKCBRN O=C1/C(=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000016779304 556641055 /nfs/dbraw/zinc/64/10/55/556641055.db2.gz AEGRPEZBLVBOQF-GFTZZFHESA-N 0 0 435.570 5.127 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Cl)c2O)c2ccccc12 ZINC000016779688 556641353 /nfs/dbraw/zinc/64/13/53/556641353.db2.gz XHEZLBZDLPPHHR-UHFFFAOYSA-N 0 0 444.915 5.546 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(C)c(C)c2O)c2ccccc12 ZINC000016779646 556641379 /nfs/dbraw/zinc/64/13/79/556641379.db2.gz ZYXAWNIYJZVAAY-UHFFFAOYSA-N 0 0 438.524 5.510 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408983867 556667834 /nfs/dbraw/zinc/66/78/34/556667834.db2.gz DRFFCWGBGJUXPX-OQKWZONESA-N 0 0 429.947 6.772 40 10 IKCBRN S=C(S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)c1-c1ccccc1 ZINC000017130524 556669168 /nfs/dbraw/zinc/66/91/68/556669168.db2.gz YFPYVHIGODSLIT-OCOZRVBESA-N 0 0 434.977 7.349 40 10 IKCBRN COc1ccccc1/N=N/c1c(-c2cccs2)nn(C(=S)SC)c1C(F)(F)F ZINC000017141407 556669732 /nfs/dbraw/zinc/66/97/32/556669732.db2.gz ZSJKDLZNDQKFLJ-QURGRASLSA-N 0 0 442.513 6.550 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044847170 556669749 /nfs/dbraw/zinc/66/97/49/556669749.db2.gz NAUPKZKSHYHMSS-UHFFFAOYSA-N 0 0 439.603 5.560 40 10 IKCBRN Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000017300224 556675003 /nfs/dbraw/zinc/67/50/03/556675003.db2.gz UVLPIULWZIAFJH-OABJIQBASA-N 0 0 449.984 6.745 40 10 IKCBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408984139 556684830 /nfs/dbraw/zinc/68/48/30/556684830.db2.gz FGDWSZLGZYTMIC-QGOAFFKASA-N 0 0 432.863 5.728 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1Cl ZINC000408984357 556685086 /nfs/dbraw/zinc/68/50/86/556685086.db2.gz HHQSDQPDLRWQGZ-GHRIWEEISA-N 0 0 426.730 7.118 40 10 IKCBRN CSc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408984962 556686291 /nfs/dbraw/zinc/68/62/91/556686291.db2.gz JLSGJGBTHFKTHD-QGOAFFKASA-N 0 0 438.379 7.187 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408759644 556686958 /nfs/dbraw/zinc/68/69/58/556686958.db2.gz IPEQNZROJDQRCO-NKFKGCMQSA-N 0 0 443.974 7.163 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408759847 556686988 /nfs/dbraw/zinc/68/69/88/556686988.db2.gz MULQDEWVQJYQFO-KOEQRZSOSA-N 0 0 438.914 6.336 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408985521 556687190 /nfs/dbraw/zinc/68/71/90/556687190.db2.gz MPJLVWSOYGWXJQ-LTGZKZEYSA-N 0 0 429.903 5.988 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(F)cc2)c1 ZINC000408760817 556687476 /nfs/dbraw/zinc/68/74/76/556687476.db2.gz GGIPSPILAPVISZ-CIAFOILYSA-N 0 0 425.290 6.275 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408761379 556687849 /nfs/dbraw/zinc/68/78/49/556687849.db2.gz JEXUNVPVTOLQCA-JJIBRWJFSA-N 0 0 430.479 5.458 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408761252 556687865 /nfs/dbraw/zinc/68/78/65/556687865.db2.gz CWDUZYBAVLOVQQ-LFVJCYFKSA-N 0 0 426.878 6.467 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 ZINC000408986595 556688138 /nfs/dbraw/zinc/68/81/38/556688138.db2.gz QZHRGSMYSBHTNL-HMMYKYKNSA-N 0 0 442.471 5.473 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3C)C2=O)cc1 ZINC000408987086 556689053 /nfs/dbraw/zinc/68/90/53/556689053.db2.gz VOJTURDXXAUONO-OQKWZONESA-N 0 0 439.511 5.652 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408987820 556693318 /nfs/dbraw/zinc/69/33/18/556693318.db2.gz YSZMTIVZXYMHPW-LTGZKZEYSA-N 0 0 426.472 5.773 40 10 IKCBRN Brc1ccc(OCc2ccccc2)c(C2Nc3cccc4cccc(c43)N2)c1 ZINC000070453919 556699998 /nfs/dbraw/zinc/69/99/98/556699998.db2.gz DIYKRONCFZDKKP-UHFFFAOYSA-N 0 0 431.333 6.718 40 10 IKCBRN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2=O)cc1 ZINC000085880083 556708501 /nfs/dbraw/zinc/70/85/01/556708501.db2.gz MYEUUXSFZCEDQF-MYUZEXMDSA-N 0 0 433.548 5.575 40 10 IKCBRN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000409001663 556711250 /nfs/dbraw/zinc/71/12/50/556711250.db2.gz QBWTUBQHYOWBRU-LPYMAVHISA-N 0 0 449.352 5.117 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)SC1=S ZINC000409007769 556713854 /nfs/dbraw/zinc/71/38/54/556713854.db2.gz RFUJDZIZIKMIJC-YVLHZVERSA-N 0 0 438.401 6.102 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000409019706 556721828 /nfs/dbraw/zinc/72/18/28/556721828.db2.gz WLSSJKOZALKZDW-UYRXBGFRSA-N 0 0 439.939 5.523 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409019574 556722444 /nfs/dbraw/zinc/72/24/44/556722444.db2.gz UOCJYQJPAYIWFY-UNOMPAQXSA-N 0 0 425.912 5.349 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000033916092 556723967 /nfs/dbraw/zinc/72/39/67/556723967.db2.gz HIMMNIZYYSFZNM-QNPCYTEQSA-N 0 0 441.560 5.667 40 10 IKCBRN CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)C(=O)N(c2ccccc2)C1=S ZINC000409023537 556724944 /nfs/dbraw/zinc/72/49/44/556724944.db2.gz YFYACQWQZRTMNQ-OQKWZONESA-N 0 0 444.556 5.192 40 10 IKCBRN CCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1 ZINC000033924725 556732880 /nfs/dbraw/zinc/73/28/80/556732880.db2.gz KUBKZZKAHBJWCU-OIYMOPNQSA-N 0 0 447.608 5.992 40 10 IKCBRN O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000000924766 556752320 /nfs/dbraw/zinc/75/23/20/556752320.db2.gz BXALHCRJIBVUBE-UHFFFAOYSA-N 0 0 425.460 5.200 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409058776 556756516 /nfs/dbraw/zinc/75/65/16/556756516.db2.gz LDHVUTWHAIDPHN-JCMHNJIXSA-N 0 0 444.506 5.419 40 10 IKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000409052310 556757585 /nfs/dbraw/zinc/75/75/85/556757585.db2.gz JIGYLDZBSDPOJB-NCELDCMTSA-N 0 0 446.502 7.039 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409054270 556757988 /nfs/dbraw/zinc/75/79/88/556757988.db2.gz ITEVUCMGEAMGKH-STZFKDTASA-N 0 0 448.469 5.250 40 10 IKCBRN Cc1ccc(C)c(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C(=O)O2)c1 ZINC000409054580 556758305 /nfs/dbraw/zinc/75/83/05/556758305.db2.gz SVPFFEMKKFZMQS-JJIBRWJFSA-N 0 0 432.519 7.017 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000409056488 556759272 /nfs/dbraw/zinc/75/92/72/556759272.db2.gz MKXIKFDTKOWERC-NDENLUEZSA-N 0 0 436.514 5.565 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079255 556784833 /nfs/dbraw/zinc/78/48/33/556784833.db2.gz JAVZUXCSIPHVBP-LGUFXXKBSA-N 0 0 448.497 6.239 40 10 IKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079378 556785322 /nfs/dbraw/zinc/78/53/22/556785322.db2.gz AZDJPXAYVBJNOY-HRVJUDJTSA-N 0 0 445.993 5.299 40 10 IKCBRN Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409080923 556786363 /nfs/dbraw/zinc/78/63/63/556786363.db2.gz OMYOYOADXMOBHR-JAIQZWGSSA-N 0 0 448.419 5.791 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079859 556787969 /nfs/dbraw/zinc/78/79/69/556787969.db2.gz BVGXZUKCSCJNLF-QOMWVZHYSA-N 0 0 430.507 6.100 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409079984 556788136 /nfs/dbraw/zinc/78/81/36/556788136.db2.gz HFFDGZPBAYQSKR-MOSHPQCFSA-N 0 0 442.357 5.082 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409082216 556789477 /nfs/dbraw/zinc/78/94/77/556789477.db2.gz RTLFSFVKICCKTA-HZHRSRAPSA-N 0 0 447.332 5.834 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409082517 556789636 /nfs/dbraw/zinc/78/96/36/556789636.db2.gz JJOBLSORHCKHEJ-PFSWGADMSA-N 0 0 440.373 5.634 40 10 IKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC ZINC000409085062 556790729 /nfs/dbraw/zinc/79/07/29/556790729.db2.gz YFTSYQRKQHBDPT-QNGOZBTKSA-N 0 0 446.934 5.972 40 10 IKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409087616 556791008 /nfs/dbraw/zinc/79/10/08/556791008.db2.gz CJSCNHNCQSVYRZ-UUMRFZBWSA-N 0 0 434.586 5.070 40 10 IKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409087614 556791011 /nfs/dbraw/zinc/79/10/11/556791011.db2.gz CJSCNHNCQSVYRZ-CVHFWEDTSA-N 0 0 434.586 5.070 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090043 556791910 /nfs/dbraw/zinc/79/19/10/556791910.db2.gz OGTOGOXRHLDGII-CPNJWEJPSA-N 0 0 444.403 5.101 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409094398 556794000 /nfs/dbraw/zinc/79/40/00/556794000.db2.gz DZIHWIZCMHXICF-GZTJUZNOSA-N 0 0 448.748 5.046 40 10 IKCBRN Cc1ccccc1N=c1scc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000002677084 556803152 /nfs/dbraw/zinc/80/31/52/556803152.db2.gz ABZCQTWCNXGMMS-UHFFFAOYSA-O 0 0 436.398 6.815 40 10 IKCBRN COC(=O)c1ccc(Cn2c(-c3ccccc3Cl)csc2=Nc2ccccc2)cc1 ZINC000065090463 556832388 /nfs/dbraw/zinc/83/23/88/556832388.db2.gz RWJQKIXAANNANE-UHFFFAOYSA-O 0 0 435.956 5.935 40 10 IKCBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000065090451 556832428 /nfs/dbraw/zinc/83/24/28/556832428.db2.gz OPURHTXMGMXARC-UHFFFAOYSA-O 0 0 431.541 5.775 40 10 IKCBRN O=[N+]([O-])c1cccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 ZINC000006444714 556836967 /nfs/dbraw/zinc/83/69/67/556836967.db2.gz YBSJBYCBSDKPCS-DJIOSBNXSA-N 0 0 449.348 6.252 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 ZINC000408776141 556847420 /nfs/dbraw/zinc/84/74/20/556847420.db2.gz ULKFLQXQZOTSQV-LMSRTUJASA-N 0 0 431.605 5.873 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)SC1=S ZINC000409136698 556849553 /nfs/dbraw/zinc/84/95/53/556849553.db2.gz UJUQOKFUMQDDFY-YVLHZVERSA-N 0 0 449.439 5.695 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1Cl ZINC000408784073 556855430 /nfs/dbraw/zinc/85/54/30/556855430.db2.gz SFIKXIOEHBZYIL-CPNJWEJPSA-N 0 0 446.890 6.037 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000408784785 556855576 /nfs/dbraw/zinc/85/55/76/556855576.db2.gz XKGHYDUVDHFIBF-XYGWBWBKSA-N 0 0 440.543 5.588 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000408785804 556855833 /nfs/dbraw/zinc/85/58/33/556855833.db2.gz CBKUFQJZCQJDBF-XSFVSMFZSA-N 0 0 441.443 5.591 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 ZINC000408787385 556856774 /nfs/dbraw/zinc/85/67/74/556856774.db2.gz ZEWZJQZNMKTYDL-GTWFGUSFSA-N 0 0 446.620 5.322 40 10 IKCBRN O=C(c1ccccc1Br)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000408822761 556865597 /nfs/dbraw/zinc/86/55/97/556865597.db2.gz VSIDWLHRABMOTH-NTEUORMPSA-N 0 0 438.755 5.144 40 10 IKCBRN Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(C)c1 ZINC000408822059 556866273 /nfs/dbraw/zinc/86/62/73/556866273.db2.gz DGNRTRZIHWFBQX-LICLKQGHSA-N 0 0 433.396 5.337 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)cc1 ZINC000408841545 556867740 /nfs/dbraw/zinc/86/77/40/556867740.db2.gz JPSVIDJBRVNYCJ-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000408844531 556868310 /nfs/dbraw/zinc/86/83/10/556868310.db2.gz UBVLOGDKKRTASX-DEDYPNTBSA-N 0 0 437.268 5.128 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1cccc(C)c1 ZINC000408846370 556868999 /nfs/dbraw/zinc/86/89/99/556868999.db2.gz SBWRWFSMMCUPJW-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O ZINC000409137744 556870084 /nfs/dbraw/zinc/87/00/84/556870084.db2.gz XKDPVHKWDUEPLB-HAHDFKILSA-N 0 0 448.544 5.951 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2C(F)(F)F)N1 ZINC000408860882 556872492 /nfs/dbraw/zinc/87/24/92/556872492.db2.gz HFSJLCGYEWKHEJ-JPMUSVJPSA-N 0 0 445.440 6.307 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409138809 556873267 /nfs/dbraw/zinc/87/32/67/556873267.db2.gz IIIAZPQCAOQPOH-HZHRSRAPSA-N 0 0 434.536 5.902 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409139322 556873295 /nfs/dbraw/zinc/87/32/95/556873295.db2.gz AFGGIZNSZZTQNN-CIAFOILYSA-N 0 0 439.537 5.619 40 10 IKCBRN COc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408865903 556873392 /nfs/dbraw/zinc/87/33/92/556873392.db2.gz FGTSNNVWZNSTBU-UHFFFAOYSA-N 0 0 448.931 5.097 40 10 IKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)o2)ccc1Br ZINC000409140514 556873540 /nfs/dbraw/zinc/87/35/40/556873540.db2.gz FDTLXIJCUXQMHG-MFOYZWKCSA-N 0 0 436.396 5.875 40 10 IKCBRN COc1ccc(CN2C(=O)[C@H](Cc3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 ZINC000409142814 556873884 /nfs/dbraw/zinc/87/38/84/556873884.db2.gz GCPDEPINYULQJT-NRFANRHFSA-N 0 0 429.607 5.107 40 10 IKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409145117 556874426 /nfs/dbraw/zinc/87/44/26/556874426.db2.gz MQHOMUMQPOKOKM-WOJGMQOQSA-N 0 0 430.982 5.318 40 10 IKCBRN CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408874785 556876056 /nfs/dbraw/zinc/87/60/56/556876056.db2.gz ATHBGGBGWDGBQG-UHFFFAOYSA-N 0 0 426.472 5.057 40 10 IKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000409151551 556876926 /nfs/dbraw/zinc/87/69/26/556876926.db2.gz HQZOLZFSHSCHDU-UEXGIBASSA-N 0 0 429.345 6.415 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000409154641 556879146 /nfs/dbraw/zinc/87/91/46/556879146.db2.gz KNYZMOBCUYZKAV-RVPKQNPDSA-N 0 0 429.225 6.747 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408892209 556881521 /nfs/dbraw/zinc/88/15/21/556881521.db2.gz HHESUVUKPCSGFP-ULJHMMPZSA-N 0 0 439.511 5.451 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408902136 556882013 /nfs/dbraw/zinc/88/20/13/556882013.db2.gz KRRDNLALKJLGIT-PXLXIMEGSA-N 0 0 433.602 5.566 40 10 IKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc2n1Cc1ccccc1Cl ZINC000408900938 556882328 /nfs/dbraw/zinc/88/23/28/556882328.db2.gz AHPYETHSILWJBP-XQNSMLJCSA-N 0 0 439.946 6.458 40 10 IKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c(C)c1 ZINC000408900928 556882346 /nfs/dbraw/zinc/88/23/46/556882346.db2.gz ADYCFUALLAKJMH-DEDYPNTBSA-N 0 0 435.526 5.447 40 10 IKCBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408904151 556883598 /nfs/dbraw/zinc/88/35/98/556883598.db2.gz FNUIYUIAPXHMQM-XWAFYUISSA-N 0 0 443.341 5.441 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408902234 556884917 /nfs/dbraw/zinc/88/49/17/556884917.db2.gz MIWRQKGDCRTCHG-LFVJCYFKSA-N 0 0 440.593 6.653 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000409157950 556885244 /nfs/dbraw/zinc/88/52/44/556885244.db2.gz QSVHYYHCRLBXIH-SWYRRKHMSA-N 0 0 428.557 7.022 40 10 IKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408903174 556885763 /nfs/dbraw/zinc/88/57/63/556885763.db2.gz VCWJMVUEYHHCOO-KGENOOAVSA-N 0 0 448.569 5.287 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cc(C)cc(C)c1 ZINC000408937277 556896984 /nfs/dbraw/zinc/89/69/84/556896984.db2.gz NSEIHLFOXKNFIG-PCLIKHOPSA-N 0 0 440.543 6.087 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1 ZINC000408945132 556897314 /nfs/dbraw/zinc/89/73/14/556897314.db2.gz VYLLVFVLZOXZDX-HZHRSRAPSA-N 0 0 440.499 5.025 40 10 IKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c1C ZINC000408967865 556903509 /nfs/dbraw/zinc/90/35/09/556903509.db2.gz SLKHQFKRSQIRQK-HMAPJEAMSA-N 0 0 433.939 5.403 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1[N+](=O)[O-] ZINC000408970118 556904290 /nfs/dbraw/zinc/90/42/90/556904290.db2.gz BAFWBQPVAPJRKL-ATVHPVEESA-N 0 0 441.365 5.512 40 10 IKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408974410 556905148 /nfs/dbraw/zinc/90/51/48/556905148.db2.gz YXHXUSHMIGBCOB-UVTDQMKNSA-N 0 0 439.231 5.196 40 10 IKCBRN O=C(OCc1ccccc1)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408976539 556906241 /nfs/dbraw/zinc/90/62/41/556906241.db2.gz RKJBYXVSIKCECK-UHFFFAOYSA-N 0 0 430.463 6.805 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(F)cc1F ZINC000408983779 556907983 /nfs/dbraw/zinc/90/79/83/556907983.db2.gz CNRCHSJKZWUPHB-MHWRWJLKSA-N 0 0 428.265 6.743 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408986260 556909587 /nfs/dbraw/zinc/90/95/87/556909587.db2.gz PFZZFQVNKIJMIV-CJLVFECKSA-N 0 0 429.947 6.827 40 10 IKCBRN CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408987803 556910305 /nfs/dbraw/zinc/91/03/05/556910305.db2.gz YJCKAKAYJFXKEJ-LUJYGJGBSA-N 0 0 448.393 7.978 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408987892 556910324 /nfs/dbraw/zinc/91/03/24/556910324.db2.gz ZQRWJPINAZJIBK-XDJHFCHBSA-N 0 0 436.338 6.863 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3OC)C2=O)cc1 ZINC000408984359 556910833 /nfs/dbraw/zinc/91/08/33/556910833.db2.gz HJBNCBRJEKKZSV-CAPFRKAQSA-N 0 0 431.919 6.219 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(Cl)c1 ZINC000408984690 556910838 /nfs/dbraw/zinc/91/08/38/556910838.db2.gz JESGYPRBYWAKPK-GZTJUZNOSA-N 0 0 426.730 7.118 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(C)cc2)cc1 ZINC000408996107 556912223 /nfs/dbraw/zinc/91/22/23/556912223.db2.gz ODBWTRNJSIVYAU-ZXVVBBHZSA-N 0 0 432.523 6.381 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408997774 556913259 /nfs/dbraw/zinc/91/32/59/556913259.db2.gz SUOQVIHHRJUCPM-XMHGGMMESA-N 0 0 448.931 6.381 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000409002124 556914745 /nfs/dbraw/zinc/91/47/45/556914745.db2.gz SQDOKXZQORXVOT-BWAHOGKJSA-N 0 0 439.511 5.533 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000409002272 556914798 /nfs/dbraw/zinc/91/47/98/556914798.db2.gz SSCUKVNVYLFDSC-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC1=S ZINC000409005719 556915794 /nfs/dbraw/zinc/91/57/94/556915794.db2.gz KGAXREKIORYOSQ-SXGWCWSVSA-N 0 0 442.364 5.933 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409006461 556916339 /nfs/dbraw/zinc/91/63/39/556916339.db2.gz JQLRSDARSPFIKW-JLPGSUDCSA-N 0 0 430.573 5.990 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(C)C)c2C)C1=O ZINC000409009650 556917441 /nfs/dbraw/zinc/91/74/41/556917441.db2.gz AZVMKDLCSZRHNP-VYVDHXHBSA-N 0 0 440.565 5.205 40 10 IKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)c1 ZINC000409009927 556917669 /nfs/dbraw/zinc/91/76/69/556917669.db2.gz ANEHAJWAOOSYKU-ZXOFLVKFSA-N 0 0 426.538 5.106 40 10 IKCBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013309 556918958 /nfs/dbraw/zinc/91/89/58/556918958.db2.gz MVLBPLZKYOETBV-CPNJWEJPSA-N 0 0 444.000 5.077 40 10 IKCBRN 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448.744 5.724 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000409154798 556979101 /nfs/dbraw/zinc/97/91/01/556979101.db2.gz HMNQUAMFGCMYDS-JQYIIUTOSA-N 0 0 428.557 7.022 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409155072 556979372 /nfs/dbraw/zinc/97/93/72/556979372.db2.gz PNTQJFVRXWSMLW-IGCXYCKISA-N 0 0 428.679 6.948 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@H]2C=CC[C@@H]21 ZINC000409172135 556985624 /nfs/dbraw/zinc/98/56/24/556985624.db2.gz IILZURCHKMRPLY-AUSJPIAWSA-N 0 0 429.314 5.809 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@@H]2C=CC[C@H]21 ZINC000409172137 556985625 /nfs/dbraw/zinc/98/56/25/556985625.db2.gz IILZURCHKMRPLY-STXHMFSFSA-N 0 0 429.314 5.809 40 10 IKCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409172092 556985639 /nfs/dbraw/zinc/98/56/39/556985639.db2.gz HENOYVROWODKRP-OEAKJJBVSA-N 0 0 449.938 5.239 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409176546 556985958 /nfs/dbraw/zinc/98/59/58/556985958.db2.gz QQBROXUVZIAMTL-RGVLZGJSSA-N 0 0 442.968 6.292 40 10 IKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)c1 ZINC000409172820 556986788 /nfs/dbraw/zinc/98/67/88/556986788.db2.gz LOXFGLUKENNSDN-WVQJBOLRSA-N 0 0 429.225 6.747 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 ZINC000409173799 556988185 /nfs/dbraw/zinc/98/81/85/556988185.db2.gz KHXFQFWLMXNSDC-SEDUGSJDSA-N 0 0 435.705 5.846 40 10 IKCBRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180532 556989173 /nfs/dbraw/zinc/98/91/73/556989173.db2.gz WNUOOGKENHZXDC-UDWIEESQSA-N 0 0 441.936 6.677 40 10 IKCBRN Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1Cl ZINC000409174572 556989299 /nfs/dbraw/zinc/98/92/99/556989299.db2.gz NTEVBSSRYWXJPH-DFIYOIEZSA-N 0 0 438.423 8.112 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409192697 556992535 /nfs/dbraw/zinc/99/25/35/556992535.db2.gz FJJCPYBMBLZNPZ-RGVLZGJSSA-N 0 0 426.900 6.128 40 10 IKCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409195029 556993614 /nfs/dbraw/zinc/99/36/14/556993614.db2.gz SOEDLVYMDILMFQ-UDWIEESQSA-N 0 0 444.940 5.198 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2ccccc21 ZINC000409197498 556994937 /nfs/dbraw/zinc/99/49/37/556994937.db2.gz HCJDMJORCSRDEH-DEDYPNTBSA-N 0 0 434.561 5.466 40 10 IKCBRN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177285 556995644 /nfs/dbraw/zinc/99/56/44/556995644.db2.gz GSNZSLVIFGIPKO-LPYMAVHISA-N 0 0 449.959 7.191 40 10 IKCBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1 ZINC000409179241 556996781 /nfs/dbraw/zinc/99/67/81/556996781.db2.gz QFUIIOVWHNLHKG-CYYJNZCTSA-N 0 0 445.475 5.133 40 10 IKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409205658 557003660 /nfs/dbraw/zinc/00/36/60/557003660.db2.gz JDOKMYGCFQGECO-VFCFBJKWSA-N 0 0 440.546 7.466 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409213072 557007563 /nfs/dbraw/zinc/00/75/63/557007563.db2.gz SFDXYIAYKOKMIG-ODLFYWEKSA-N 0 0 440.477 5.708 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409197536 557012341 /nfs/dbraw/zinc/01/23/41/557012341.db2.gz ICCAVVXNTRROND-FHNWIRHTSA-N 0 0 448.407 6.032 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2cccc(C)c2)SC1=S ZINC000409204782 557015494 /nfs/dbraw/zinc/01/54/94/557015494.db2.gz KDNSDHDSDPNQHM-HYARGMPZSA-N 0 0 434.586 5.530 40 10 IKCBRN CCn1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000409204566 557015540 /nfs/dbraw/zinc/01/55/40/557015540.db2.gz AEQDXSYHSFRFKN-ZDLGFXPLSA-N 0 0 443.391 5.830 40 10 IKCBRN O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409206489 557016805 /nfs/dbraw/zinc/01/68/05/557016805.db2.gz OZPOKGKCJUPANO-VGOFMYFVSA-N 0 0 426.744 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Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409216363 557030624 /nfs/dbraw/zinc/03/06/24/557030624.db2.gz HPMBHXLEASZRTB-WSDLNYQXSA-N 0 0 436.964 6.605 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408532303 557031689 /nfs/dbraw/zinc/03/16/89/557031689.db2.gz UAVGTADPOQTWKA-GRSHGNNSSA-N 0 0 446.380 6.214 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409241992 557032383 /nfs/dbraw/zinc/03/23/83/557032383.db2.gz TWAHVSRCJXBFJO-WSDLNYQXSA-N 0 0 433.939 5.457 40 10 IKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cccc2ccccc21 ZINC000408535476 557032693 /nfs/dbraw/zinc/03/26/93/557032693.db2.gz YLVNSZCEHLFCSZ-UYRXBGFRSA-N 0 0 434.337 5.938 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409243270 557033193 /nfs/dbraw/zinc/03/31/93/557033193.db2.gz RKUNAXMAIMNCFT-SSDVNMTOSA-N 0 0 437.902 5.288 40 10 IKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1 ZINC000408578542 557044206 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557122599 /nfs/dbraw/zinc/12/25/99/557122599.db2.gz GFAVXOKHZHDKIS-CAOOACKPSA-N 0 0 429.364 5.645 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)=O ZINC000409345360 557126388 /nfs/dbraw/zinc/12/63/88/557126388.db2.gz LIUMXWCIAAYOKI-ZDLGFXPLSA-N 0 0 433.938 5.070 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCC ZINC000409346539 557127113 /nfs/dbraw/zinc/12/71/13/557127113.db2.gz NBSXZOKJHDWWCM-ATVHPVEESA-N 0 0 426.003 5.671 40 10 IKCBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000409347710 557127419 /nfs/dbraw/zinc/12/74/19/557127419.db2.gz NDHSBZNUVAFGEK-PXLXIMEGSA-N 0 0 449.576 5.085 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409347361 557128139 /nfs/dbraw/zinc/12/81/39/557128139.db2.gz POUGQXYRKKFYMM-WOJGMQOQSA-N 0 0 438.401 6.578 40 10 IKCBRN CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409350234 557129366 /nfs/dbraw/zinc/12/93/66/557129366.db2.gz RDUHIYPYQKROAW-KGENOOAVSA-N 0 0 439.989 6.688 40 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557135452 /nfs/dbraw/zinc/13/54/52/557135452.db2.gz KRZQBLUTXCRTDO-UHFFFAOYSA-N 0 0 433.898 6.995 40 10 IKCBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=O)N(c4ccccc4)C3=O)=C2)cc1C ZINC000408725303 557138132 /nfs/dbraw/zinc/13/81/32/557138132.db2.gz DXRBHUBDAYFPEU-AMQQTSRNSA-N 0 0 429.501 6.665 40 10 IKCBRN Cc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409369122 557138152 /nfs/dbraw/zinc/13/81/52/557138152.db2.gz CVPJONOPUQISBX-OVCLIPMQSA-N 0 0 438.361 5.240 40 10 IKCBRN COc1ccc(N2N=C(C)C(=C(C)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000103916538 557140728 /nfs/dbraw/zinc/14/07/28/557140728.db2.gz GYLIMAHLFDHNSB-OOAXWGSJSA-N 0 0 439.559 5.504 40 10 IKCBRN O=C1SC(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)C(=O)N1c1ccccc1 ZINC000408728141 557141123 /nfs/dbraw/zinc/14/11/23/557141123.db2.gz WDDUTIPELGCXIY-KVKHVCHQSA-N 0 0 435.892 6.702 40 10 IKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408735089 557142697 /nfs/dbraw/zinc/14/26/97/557142697.db2.gz NSILHBLWZQOHMD-UHFFFAOYSA-N 0 0 425.557 6.755 40 10 IKCBRN O=C(NCc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735558 557143000 /nfs/dbraw/zinc/14/30/00/557143000.db2.gz SKSRPVAMMFQVMU-UHFFFAOYSA-N 0 0 428.495 6.411 40 10 IKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)c(Cl)ccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736654 557144502 /nfs/dbraw/zinc/14/45/02/557144502.db2.gz ZAJFGPUVHOBDRZ-CZSZKKDXSA-N 0 0 436.382 7.707 40 10 IKCBRN C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000408737413 557144704 /nfs/dbraw/zinc/14/47/04/557144704.db2.gz PJMOEKMMNJGYOV-ANVJXECLSA-N 0 0 425.572 6.710 40 10 IKCBRN COc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 ZINC000408739065 557148447 /nfs/dbraw/zinc/14/84/47/557148447.db2.gz SJWRANYYQJSPQS-XMHGGMMESA-N 0 0 432.317 5.929 40 10 IKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408741265 557149371 /nfs/dbraw/zinc/14/93/71/557149371.db2.gz HVSPYPQTPSCCKZ-UKTHLTGXSA-N 0 0 428.227 6.143 40 10 IKCBRN CC(=O)Oc1ccc(/N=N/c2ccccc2)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000408743769 557149494 /nfs/dbraw/zinc/14/94/94/557149494.db2.gz VCTKWGVHWCJYFR-FVSIZJORSA-N 0 0 444.874 6.662 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3cc(/N=N/c4ccccc4)ccc3OC(C)=O)C(=O)O2)cc1 ZINC000408741963 557149696 /nfs/dbraw/zinc/14/96/96/557149696.db2.gz MEMFZJHQBZSYKS-UZCLUYDUSA-N 0 0 440.455 6.017 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cc(Cl)cc(Cl)c1Cl ZINC000408741550 557149745 /nfs/dbraw/zinc/14/97/45/557149745.db2.gz JLTBIVLIFKAADE-WZUFQYTHSA-N 0 0 430.512 6.391 40 10 IKCBRN CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O ZINC000408743816 557150818 /nfs/dbraw/zinc/15/08/18/557150818.db2.gz VMWDLLYDJOCGFC-VIZOYTHASA-N 0 0 433.685 5.318 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000408742861 557150852 /nfs/dbraw/zinc/15/08/52/557150852.db2.gz QFESLMHWDMNDMO-KGENOOAVSA-N 0 0 446.474 5.793 40 10 IKCBRN Cc1cccc(COc2ccc(/C=C3\C=C(c4ccc(Br)cc4)OC3=O)cc2)c1 ZINC000408743740 557151051 /nfs/dbraw/zinc/15/10/51/557151051.db2.gz UTTCSOAXMYFZMF-KGENOOAVSA-N 0 0 447.328 6.318 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000408743749 557151117 /nfs/dbraw/zinc/15/11/17/557151117.db2.gz UWWIFSOZBJLAOF-XDHOZWIPSA-N 0 0 436.866 6.048 40 10 IKCBRN CN(C)c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000408743725 557151180 /nfs/dbraw/zinc/15/11/80/557151180.db2.gz UPQBSLLINOIZKS-NTEUORMPSA-N 0 0 449.142 5.259 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000006600629 557156328 /nfs/dbraw/zinc/15/63/28/557156328.db2.gz LZUYKWCTOXMURF-PXLXIMEGSA-N 0 0 428.484 5.654 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)c1 ZINC000408751880 557160013 /nfs/dbraw/zinc/16/00/13/557160013.db2.gz DIGKPORKLPPNDE-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408752123 557160350 /nfs/dbraw/zinc/16/03/50/557160350.db2.gz BVPMXSPNRBINKA-KGENOOAVSA-N 0 0 445.946 6.445 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2cccc(Br)c2)C1=O ZINC000408752729 557160675 /nfs/dbraw/zinc/16/06/75/557160675.db2.gz GJBWSXJEAFRWAO-KGENOOAVSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000106953501 557162156 /nfs/dbraw/zinc/16/21/56/557162156.db2.gz PCWZRYYASMSICF-HAHDFKILSA-N 0 0 427.573 5.162 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 ZINC000408752895 557162965 /nfs/dbraw/zinc/16/29/65/557162965.db2.gz DDGLUYQHIDOQAY-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000006821596 557163423 /nfs/dbraw/zinc/16/34/23/557163423.db2.gz KXJVHPNFDIIWLU-HYARGMPZSA-N 0 0 432.907 5.734 40 10 IKCBRN COc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(c3cccc(C(C)=O)c3)C2=O)cc1 ZINC000408753014 557163675 /nfs/dbraw/zinc/16/36/75/557163675.db2.gz KSFFEWPQVAAIIK-STZFKDTASA-N 0 0 429.903 6.023 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(Cl)cc2)cc1 ZINC000408753812 557164980 /nfs/dbraw/zinc/16/49/80/557164980.db2.gz OCKNJRVXEMLZGZ-CJLVFECKSA-N 0 0 432.907 5.582 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)cc1 ZINC000408753832 557165030 /nfs/dbraw/zinc/16/50/30/557165030.db2.gz KOTLJFCSCNYVBX-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 ZINC000408753718 557165034 /nfs/dbraw/zinc/16/50/34/557165034.db2.gz HJXOMLCAPLQVRK-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)cc1 ZINC000408754284 557165568 /nfs/dbraw/zinc/16/55/68/557165568.db2.gz PSSMOGJRLIRIKO-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 ZINC000408754190 557165618 /nfs/dbraw/zinc/16/56/18/557165618.db2.gz IUQSRVHNEWNNRY-CPNJWEJPSA-N 0 0 448.906 6.234 40 10 IKCBRN Cc1cc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408755329 557167718 /nfs/dbraw/zinc/16/77/18/557167718.db2.gz KDYSOESDJXODCA-IWIPYMOSSA-N 0 0 439.942 7.190 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(F)cc2)cc1 ZINC000408755696 557167793 /nfs/dbraw/zinc/16/77/93/557167793.db2.gz MDNRNIDDSAKSIH-HZHRSRAPSA-N 0 0 446.478 5.076 40 10 IKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)C(=O)O2)cc1 ZINC000408755804 557168062 /nfs/dbraw/zinc/16/80/62/557168062.db2.gz NDPLYDDCAANQCN-JCMHNJIXSA-N 0 0 443.499 5.399 40 10 IKCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000408755871 557168080 /nfs/dbraw/zinc/16/80/80/557168080.db2.gz GEEGPEAGMIHJFU-LPYMAVHISA-N 0 0 449.352 5.366 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1 ZINC000408756711 557168701 /nfs/dbraw/zinc/16/87/01/557168701.db2.gz SPTJCDGDXQLKOD-RGEXLXHISA-N 0 0 446.890 6.037 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408756674 557168711 /nfs/dbraw/zinc/16/87/11/557168711.db2.gz TZXOUBNXZYEDBG-RGVLZGJSSA-N 0 0 445.708 6.620 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408757164 557169342 /nfs/dbraw/zinc/16/93/42/557169342.db2.gz VESZDCQJXSHHOV-LFVJCYFKSA-N 0 0 425.572 6.990 40 10 IKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)N=C1C ZINC000408757356 557169361 /nfs/dbraw/zinc/16/93/61/557169361.db2.gz MJAFELZXMCDHNY-XKZIYDEJSA-N 0 0 432.955 5.874 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 ZINC000408758050 557171328 /nfs/dbraw/zinc/17/13/28/557171328.db2.gz GEEUVNMWDLZVPJ-XMHGGMMESA-N 0 0 432.907 6.528 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408758480 557172659 /nfs/dbraw/zinc/17/26/59/557172659.db2.gz KSQVADYYIIAGJE-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(F)c3)C2=O)cc1OC ZINC000408760732 557174592 /nfs/dbraw/zinc/17/45/92/557174592.db2.gz FCXAHHGSKLMRHJ-LDADJPATSA-N 0 0 435.882 5.968 40 10 IKCBRN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218000226 557175100 /nfs/dbraw/zinc/17/51/00/557175100.db2.gz SWLZAWGKHKYDOC-QFIPXVFZSA-N 0 0 444.644 6.706 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408761929 557176026 /nfs/dbraw/zinc/17/60/26/557176026.db2.gz HXNKSVWMTAHENW-HYARGMPZSA-N 0 0 448.906 5.200 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4ncccc4c3)C2=O)cc1 ZINC000408762470 557176912 /nfs/dbraw/zinc/17/69/12/557176912.db2.gz KZKCKIPRLAUBEL-QNGOZBTKSA-N 0 0 438.914 6.368 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cn1 ZINC000408762754 557177335 /nfs/dbraw/zinc/17/73/35/557177335.db2.gz LCSPMBMOIINPLS-LDADJPATSA-N 0 0 448.906 5.232 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408762677 557177364 /nfs/dbraw/zinc/17/73/64/557177364.db2.gz KTKZORNNEFOZOW-JJIBRWJFSA-N 0 0 430.479 5.458 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2cccc(C)c2)cc1 ZINC000408759566 557177693 /nfs/dbraw/zinc/17/76/93/557177693.db2.gz HEJWLHYTNVXBPJ-LFVJCYFKSA-N 0 0 442.515 5.245 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 ZINC000408760047 557178029 /nfs/dbraw/zinc/17/80/29/557178029.db2.gz QNUFCAFMAKVADB-XQNSMLJCSA-N 0 0 442.515 5.245 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000408763716 557181359 /nfs/dbraw/zinc/18/13/59/557181359.db2.gz UJVVKWDYDDKHHL-HYARGMPZSA-N 0 0 432.907 5.500 40 10 IKCBRN C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218203265 557181816 /nfs/dbraw/zinc/18/18/16/557181816.db2.gz INIWEZKKWNDJGP-IAGOWNOFSA-N 0 0 435.008 5.826 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000408763980 557182010 /nfs/dbraw/zinc/18/20/10/557182010.db2.gz HLRAFZHWHMWXDA-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408764444 557182408 /nfs/dbraw/zinc/18/24/08/557182408.db2.gz WUKBQMZRHSFWND-KGENOOAVSA-N 0 0 432.907 5.500 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 ZINC000408764562 557182456 /nfs/dbraw/zinc/18/24/56/557182456.db2.gz XMGMGKOPVXAAHC-CPNJWEJPSA-N 0 0 448.906 6.234 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)c1 ZINC000408763208 557183085 /nfs/dbraw/zinc/18/30/85/557183085.db2.gz RRBNYFCABOTTLI-HMMYKYKNSA-N 0 0 444.943 6.398 40 10 IKCBRN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000009310425 557186421 /nfs/dbraw/zinc/18/64/21/557186421.db2.gz TUONGLLOOGOXQQ-FYJGNVAPSA-N 0 0 449.553 5.756 40 10 IKCBRN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000009310701 557186702 /nfs/dbraw/zinc/18/67/02/557186702.db2.gz CSHOKAIUOVFXDL-CXUHLZMHSA-N 0 0 437.359 5.060 40 10 IKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 ZINC000009310675 557186750 /nfs/dbraw/zinc/18/67/50/557186750.db2.gz XSCNMUZFPOISBV-XSFVSMFZSA-N 0 0 441.574 5.657 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408766167 557188614 /nfs/dbraw/zinc/18/86/14/557188614.db2.gz PLIOWAPHIGMLFH-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccccc1 ZINC000408765890 557188632 /nfs/dbraw/zinc/18/86/32/557188632.db2.gz RJBCZQLNZKKCSK-XSFVSMFZSA-N 0 0 448.276 5.192 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(C)cc2)cc1 ZINC000408767338 557189075 /nfs/dbraw/zinc/18/90/75/557189075.db2.gz ZGQDKKXBNRPXQR-LFVJCYFKSA-N 0 0 442.515 5.245 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 ZINC000408774330 557196833 /nfs/dbraw/zinc/19/68/33/557196833.db2.gz ZLDUMEAEORYQCN-MGSPXPDISA-N 0 0 448.548 5.164 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3ncccc3c2)cc1 ZINC000408774292 557196925 /nfs/dbraw/zinc/19/69/25/557196925.db2.gz YYMVJMISUBZWGE-PXLXIMEGSA-N 0 0 433.467 5.923 40 10 IKCBRN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000010113103 557205490 /nfs/dbraw/zinc/20/54/90/557205490.db2.gz YAEOFTZNESHXPQ-UHFFFAOYSA-N 0 0 430.617 6.208 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000408785692 557208295 /nfs/dbraw/zinc/20/82/95/557208295.db2.gz ATGIITBVBLKQDD-XSFVSMFZSA-N 0 0 441.443 5.591 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408807290 557218446 /nfs/dbraw/zinc/21/84/46/557218446.db2.gz GWWNFJCGPCVZOD-UHFFFAOYSA-N 0 0 440.951 5.958 40 10 IKCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1 ZINC000408807912 557219322 /nfs/dbraw/zinc/21/93/22/557219322.db2.gz LPSKCEOMIAKSKJ-UHFFFAOYSA-N 0 0 446.596 5.791 40 10 IKCBRN CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c(Br)c1 ZINC000218875264 557219509 /nfs/dbraw/zinc/21/95/09/557219509.db2.gz KUJCUKNQSQSCQR-UHFFFAOYSA-N 0 0 445.401 5.258 40 10 IKCBRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218979016 557221838 /nfs/dbraw/zinc/22/18/38/557221838.db2.gz MZRZLTGBYHJCPF-FGZHOGPDSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218987493 557222194 /nfs/dbraw/zinc/22/21/94/557222194.db2.gz ABLUZJGRNXRVRJ-FGZHOGPDSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219129802 557227559 /nfs/dbraw/zinc/22/75/59/557227559.db2.gz VITHEJRDGYQZMJ-HSZRJFAPSA-N 0 0 426.604 6.322 40 10 IKCBRN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219129983 557227706 /nfs/dbraw/zinc/22/77/06/557227706.db2.gz BUAJZNRRODSVAX-DHIUTWEWSA-N 0 0 426.604 6.322 40 10 IKCBRN CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OCC ZINC000219279225 557235128 /nfs/dbraw/zinc/23/51/28/557235128.db2.gz DGZCRGQFXHUYNI-OAQYLSRUSA-N 0 0 438.612 5.530 40 10 IKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219338501 557237962 /nfs/dbraw/zinc/23/79/62/557237962.db2.gz FJFNSMZFRYZMRJ-RLWLMLJZSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219349099 557238643 /nfs/dbraw/zinc/23/86/43/557238643.db2.gz RRYOIKZGHJMDCU-ZBLYBZFDSA-N 0 0 430.592 6.111 40 10 IKCBRN CC(Nc1ccc(Oc2ccccc2)cc1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112290102 557238993 /nfs/dbraw/zinc/23/89/93/557238993.db2.gz YKBOQRLVWNFSGS-KQWNVCNZSA-N 0 0 428.448 5.496 40 10 IKCBRN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112292732 557239213 /nfs/dbraw/zinc/23/92/13/557239213.db2.gz GINXRHAARGYWNU-ULJHMMPZSA-N 0 0 438.556 6.380 40 10 IKCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219386533 557239652 /nfs/dbraw/zinc/23/96/52/557239652.db2.gz ZKVUVGFHBOMNMB-IEGUWTFLSA-N 0 0 431.045 6.324 40 10 IKCBRN CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112295705 557239688 /nfs/dbraw/zinc/23/96/88/557239688.db2.gz YQMNICYGOSRRNL-JWGURIENSA-N 0 0 446.894 5.063 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccc(Cl)cc2)cc1 ZINC000112294399 557239707 /nfs/dbraw/zinc/23/97/07/557239707.db2.gz GDNNZTQLWPWKFV-KQWNVCNZSA-N 0 0 449.913 5.302 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408841754 557262835 /nfs/dbraw/zinc/26/28/35/557262835.db2.gz KUFSTUYXBFPBRD-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Cl)cc2)cc1 ZINC000408843775 557263175 /nfs/dbraw/zinc/26/31/75/557263175.db2.gz NPHWPQQGXSSSHP-RCCKNPSSSA-N 0 0 447.878 5.481 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408844055 557263472 /nfs/dbraw/zinc/26/34/72/557263472.db2.gz OJNIYHUCUBODQS-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccccc1 ZINC000408842776 557264437 /nfs/dbraw/zinc/26/44/37/557264437.db2.gz KUGMBDYDOKNQBL-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408842925 557264499 /nfs/dbraw/zinc/26/44/99/557264499.db2.gz LXNITWMHHZHQMF-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408843624 557265228 /nfs/dbraw/zinc/26/52/28/557265228.db2.gz RKHIBEITGYWJCV-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccccc1 ZINC000408845660 557266501 /nfs/dbraw/zinc/26/65/01/557266501.db2.gz QVJOGUXADYMELH-XMHGGMMESA-N 0 0 448.276 5.192 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000408847117 557267445 /nfs/dbraw/zinc/26/74/45/557267445.db2.gz ZPTMEVBKTOGWQC-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219769712 557267906 /nfs/dbraw/zinc/26/79/06/557267906.db2.gz BIEUGHPCBUATAZ-UHFFFAOYSA-N 0 0 434.967 5.839 40 10 IKCBRN C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000102712664 557306143 /nfs/dbraw/zinc/30/61/43/557306143.db2.gz CRBAGAYXTWLVSR-WDEBQMKVSA-N 0 0 441.402 6.835 40 10 IKCBRN C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000102712659 557306266 /nfs/dbraw/zinc/30/62/66/557306266.db2.gz CRBAGAYXTWLVSR-CWNDDBTHSA-N 0 0 441.402 6.835 40 10 IKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c(OCC)c1 ZINC000113830449 557306962 /nfs/dbraw/zinc/30/69/62/557306962.db2.gz HCDLTHSSNXYTNL-HYARGMPZSA-N 0 0 435.570 6.043 40 10 IKCBRN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830663 557306994 /nfs/dbraw/zinc/30/69/94/557306994.db2.gz YFAMMWDNLFTCST-WOJGMQOQSA-N 0 0 426.450 5.400 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S ZINC000113836491 557307580 /nfs/dbraw/zinc/30/75/80/557307580.db2.gz AHXONXDBCQQWAY-UDWIEESQSA-N 0 0 437.546 5.209 40 10 IKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000113837730 557307776 /nfs/dbraw/zinc/30/77/76/557307776.db2.gz AVBOODYPWGZGSO-BUVRLJJBSA-N 0 0 440.593 6.404 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c1 ZINC000113837620 557307852 /nfs/dbraw/zinc/30/78/52/557307852.db2.gz ZYFDEOZVDFTPEW-VIZOYTHASA-N 0 0 425.318 5.616 40 10 IKCBRN S=C(/N=N/c1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 ZINC000104074292 557319920 /nfs/dbraw/zinc/31/99/20/557319920.db2.gz AYRQKQYHAGQLKD-ORIPQNMZSA-N 0 0 440.528 7.257 40 10 IKCBRN C[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000033396863 557326434 /nfs/dbraw/zinc/32/64/34/557326434.db2.gz NWAPFUHJSAIMPZ-PAJXCOJRSA-N 0 0 431.582 6.228 40 10 IKCBRN CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000013509941 557331709 /nfs/dbraw/zinc/33/17/09/557331709.db2.gz UCNULASGQGOXGF-UHFFFAOYSA-N 0 0 440.544 5.179 40 10 IKCBRN COc1ccc(Cl)cc1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000013566433 557344572 /nfs/dbraw/zinc/34/45/72/557344572.db2.gz MWCUIUBFRQKIRS-UHFFFAOYSA-N 0 0 427.869 5.029 40 10 IKCBRN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000013568338 557347237 /nfs/dbraw/zinc/34/72/37/557347237.db2.gz AXBPCAWZKWDSRK-UHFFFAOYSA-N 0 0 438.578 5.228 40 10 IKCBRN O=C(Nc1ccccc1Cl)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000013563445 557353714 /nfs/dbraw/zinc/35/37/14/557353714.db2.gz PLJUSYDYZIGHBZ-UHFFFAOYSA-N 0 0 433.898 6.995 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222617527 557362675 /nfs/dbraw/zinc/36/26/75/557362675.db2.gz YOXWRAWYOHEFBP-PKKBDPGCSA-N 0 0 431.609 5.144 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1C ZINC000222619632 557362828 /nfs/dbraw/zinc/36/28/28/557362828.db2.gz YKXBYXVUZZMYIS-UQDCGMOVSA-N 0 0 437.012 6.040 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000222619401 557362875 /nfs/dbraw/zinc/36/28/75/557362875.db2.gz BQPFSGQKXIVOGC-QXWFJRNPSA-N 0 0 430.621 6.004 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1C ZINC000222619490 557362923 /nfs/dbraw/zinc/36/29/23/557362923.db2.gz YKXBYXVUZZMYIS-WADWEFIESA-N 0 0 437.012 6.040 40 10 IKCBRN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1O ZINC000023538114 557365536 /nfs/dbraw/zinc/36/55/36/557365536.db2.gz ZHALPGCPJQDZQZ-JEUIYPACSA-N 0 0 431.448 5.011 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 ZINC000222697289 557375148 /nfs/dbraw/zinc/37/51/48/557375148.db2.gz GBSFSEJTVGCJNS-NLSFWIRASA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 ZINC000222701356 557376073 /nfs/dbraw/zinc/37/60/73/557376073.db2.gz HKTCNSPIYPBMAI-DCEDVJGZSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 ZINC000222701204 557376131 /nfs/dbraw/zinc/37/61/31/557376131.db2.gz QSCSLAKOKQHGPC-QFZRFWILSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 ZINC000222701715 557376172 /nfs/dbraw/zinc/37/61/72/557376172.db2.gz MPWKEGTUXPTTDJ-YRUKQIKQSA-N 0 0 446.576 5.197 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 ZINC000222701986 557376285 /nfs/dbraw/zinc/37/62/85/557376285.db2.gz UAVJJNWGUZEXSL-PMWMKWCKSA-N 0 0 444.648 6.394 40 10 IKCBRN Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616589 557378117 /nfs/dbraw/zinc/37/81/17/557378117.db2.gz IKGQRFWXNVPSIE-OXQOHEQNSA-N 0 0 427.323 5.459 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000222720587 557378976 /nfs/dbraw/zinc/37/89/76/557378976.db2.gz RIMUFWNIKJTAIM-NPFVIJTESA-N 0 0 427.017 5.623 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000222725202 557379555 /nfs/dbraw/zinc/37/95/55/557379555.db2.gz JHSTYVPSWBDGRY-UXHICEINSA-N 0 0 430.499 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000222737898 557381414 /nfs/dbraw/zinc/38/14/14/557381414.db2.gz CPPPPYHVMOMXQF-VQTJNVASSA-N 0 0 430.499 5.110 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 ZINC000222788512 557387060 /nfs/dbraw/zinc/38/70/60/557387060.db2.gz PIFBDGOOAPETKQ-LOSJGSFVSA-N 0 0 447.652 5.328 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000222789029 557387065 /nfs/dbraw/zinc/38/70/65/557387065.db2.gz UCHRVOURDFNBRV-LEWJYISDSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 ZINC000222788398 557387098 /nfs/dbraw/zinc/38/70/98/557387098.db2.gz PIFBDGOOAPETKQ-JWQCQUIFSA-N 0 0 447.652 5.328 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 ZINC000222788460 557387105 /nfs/dbraw/zinc/38/71/05/557387105.db2.gz PIFBDGOOAPETKQ-RPBOFIJWSA-N 0 0 447.652 5.328 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000222788642 557387112 /nfs/dbraw/zinc/38/71/12/557387112.db2.gz FFAQNJRLTQQQRZ-SFTDATJTSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222790789 557387121 /nfs/dbraw/zinc/38/71/21/557387121.db2.gz HQTFDNBTNLIRLU-VXKWHMMOSA-N 0 0 425.001 5.443 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O ZINC000222821650 557390415 /nfs/dbraw/zinc/39/04/15/557390415.db2.gz AFPJGWPMWMOHOB-FCHUYYIVSA-N 0 0 441.000 5.229 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc21 ZINC000222825864 557390816 /nfs/dbraw/zinc/39/08/16/557390816.db2.gz UBUUNYCRCJQQGR-IZZNHLLZSA-N 0 0 440.616 6.023 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl ZINC000222829308 557391027 /nfs/dbraw/zinc/39/10/27/557391027.db2.gz PHQCALLDMPAGEN-FCHUYYIVSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl ZINC000222829375 557391051 /nfs/dbraw/zinc/39/10/51/557391051.db2.gz PHQCALLDMPAGEN-VXKWHMMOSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl ZINC000222829242 557391094 /nfs/dbraw/zinc/39/10/94/557391094.db2.gz PHQCALLDMPAGEN-YADHBBJMSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222835087 557391619 /nfs/dbraw/zinc/39/16/19/557391619.db2.gz JBJWVOCMAGRSQX-ILBGXUMGSA-N 0 0 432.637 5.795 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1C ZINC000222835479 557391917 /nfs/dbraw/zinc/39/19/17/557391917.db2.gz GMRQUPKNLQDCHM-XZOQPEGZSA-N 0 0 439.028 5.832 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222866578 557396160 /nfs/dbraw/zinc/39/61/60/557396160.db2.gz LHDLFFPUQOYBFD-FGZHOGPDSA-N 0 0 441.000 5.231 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222874320 557396636 /nfs/dbraw/zinc/39/66/36/557396636.db2.gz KMEGLCMXMUVWBD-VXKWHMMOSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222874228 557396673 /nfs/dbraw/zinc/39/66/73/557396673.db2.gz YTYBKBREKSJABO-FGZHOGPDSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222880656 557397432 /nfs/dbraw/zinc/39/74/32/557397432.db2.gz OLSNNKKXQDERNI-PKTZIBPZSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222880774 557397533 /nfs/dbraw/zinc/39/75/33/557397533.db2.gz OLSNNKKXQDERNI-DHIUTWEWSA-N 0 0 439.028 5.833 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222918475 557402368 /nfs/dbraw/zinc/40/23/68/557402368.db2.gz FOCWWRXNRKYHCX-RPBOFIJWSA-N 0 0 432.637 5.680 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222918778 557402611 /nfs/dbraw/zinc/40/26/11/557402611.db2.gz UHAQPZDHJYOUPH-LOSJGSFVSA-N 0 0 432.637 5.680 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222918657 557402641 /nfs/dbraw/zinc/40/26/41/557402641.db2.gz UHAQPZDHJYOUPH-JWQCQUIFSA-N 0 0 432.637 5.680 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 ZINC000222922001 557403142 /nfs/dbraw/zinc/40/31/42/557403142.db2.gz OOUWBKCZBRBBCN-ZEQRLZLVSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000222925020 557403542 /nfs/dbraw/zinc/40/35/42/557403542.db2.gz ZSZJRTLNRFRRNO-LOSJGSFVSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000222924961 557403656 /nfs/dbraw/zinc/40/36/56/557403656.db2.gz ZSZJRTLNRFRRNO-RPBOFIJWSA-N 0 0 432.637 5.734 40 10 IKCBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222937857 557405569 /nfs/dbraw/zinc/40/55/69/557405569.db2.gz PNZIDHDSCUSQIB-RLWLMLJZSA-N 0 0 436.640 6.255 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000222963345 557408684 /nfs/dbraw/zinc/40/86/84/557408684.db2.gz APRKXKXLGNMMSJ-JWQCQUIFSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C ZINC000222963486 557408771 /nfs/dbraw/zinc/40/87/71/557408771.db2.gz GMEZPMAWOOFOPK-RPBOFIJWSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222966677 557408966 /nfs/dbraw/zinc/40/89/66/557408966.db2.gz BHADTTMYQOCMRW-BJKOFHAPSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000222969028 557409499 /nfs/dbraw/zinc/40/94/99/557409499.db2.gz YMTHHKILMFZSBF-JWQCQUIFSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000222969307 557409505 /nfs/dbraw/zinc/40/95/05/557409505.db2.gz HEZAGMQBZNXQLH-JWQCQUIFSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000222969501 557409562 /nfs/dbraw/zinc/40/95/62/557409562.db2.gz MHEGPEGCIWGXKB-UKILVPOCSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222970281 557409784 /nfs/dbraw/zinc/40/97/84/557409784.db2.gz OJUSNJYRXMVZTA-AZGAKELHSA-N 0 0 446.664 6.187 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222970222 557409892 /nfs/dbraw/zinc/40/98/92/557409892.db2.gz OJUSNJYRXMVZTA-RSXGOPAZSA-N 0 0 446.664 6.187 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222972454 557410090 /nfs/dbraw/zinc/41/00/90/557410090.db2.gz RNCCSMHDFKUWEQ-AOYPEHQESA-N 0 0 446.664 6.133 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C2=N)S1 ZINC000033559788 557411647 /nfs/dbraw/zinc/41/16/47/557411647.db2.gz UIFICJWPTFMSSX-GQZSXMDHSA-N 0 0 439.972 5.475 40 10 IKCBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223031350 557418121 /nfs/dbraw/zinc/41/81/21/557418121.db2.gz MRZKFMSAGUXAQE-NTKDMRAZSA-N 0 0 429.004 5.920 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000033608529 557420270 /nfs/dbraw/zinc/42/02/70/557420270.db2.gz LMLMJSGRXKFXJS-FPYYEXTBSA-N 0 0 449.923 5.008 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 ZINC000223052346 557421780 /nfs/dbraw/zinc/42/17/80/557421780.db2.gz LCKDNCRRLTUFOL-LOSJGSFVSA-N 0 0 448.636 5.061 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223057928 557422905 /nfs/dbraw/zinc/42/29/05/557422905.db2.gz GAUPMXMJDAVCKZ-LOSJGSFVSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223057867 557422977 /nfs/dbraw/zinc/42/29/77/557422977.db2.gz GAUPMXMJDAVCKZ-RPBOFIJWSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223058686 557422998 /nfs/dbraw/zinc/42/29/98/557422998.db2.gz YCMJVWMXFOYGJA-LOSJGSFVSA-N 0 0 448.636 5.115 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 ZINC000223096363 557430839 /nfs/dbraw/zinc/43/08/39/557430839.db2.gz NYBUCAISQISJSH-JWQCQUIFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000223096809 557431067 /nfs/dbraw/zinc/43/10/67/557431067.db2.gz FMOYTWQTKSZMLA-DQEYMECFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 ZINC000223096548 557431070 /nfs/dbraw/zinc/43/10/70/557431070.db2.gz NYBUCAISQISJSH-DQEYMECFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 ZINC000223098658 557431277 /nfs/dbraw/zinc/43/12/77/557431277.db2.gz DUJQZZHGHMYLLC-RPBOFIJWSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 ZINC000223098713 557431349 /nfs/dbraw/zinc/43/13/49/557431349.db2.gz DUJQZZHGHMYLLC-LOSJGSFVSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ncccc1C ZINC000223105164 557432057 /nfs/dbraw/zinc/43/20/57/557432057.db2.gz LLHYPQHLXHIGOU-BJKOFHAPSA-N 0 0 445.636 5.498 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014406621 557443806 /nfs/dbraw/zinc/44/38/06/557443806.db2.gz CKGKBQHFMINXNX-UNOMPAQXSA-N 0 0 440.883 5.132 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014406640 557443855 /nfs/dbraw/zinc/44/38/55/557443855.db2.gz ZRDIFMBJMYUQTR-UNOMPAQXSA-N 0 0 440.883 5.249 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406758 557443888 /nfs/dbraw/zinc/44/38/88/557443888.db2.gz XNOHYJXHHNUNBK-ULJHMMPZSA-N 0 0 425.484 5.352 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014406691 557443898 /nfs/dbraw/zinc/44/38/98/557443898.db2.gz LAKRAYODRHIPPZ-UYRXBGFRSA-N 0 0 426.310 5.025 40 10 IKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414475 557445689 /nfs/dbraw/zinc/44/56/89/557445689.db2.gz CGFMVSQBYPWKJB-ZVSYKFGMSA-N 0 0 439.511 5.913 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1Cl ZINC000014476901 557447075 /nfs/dbraw/zinc/44/70/75/557447075.db2.gz NUOIGBKNJVBSHK-VNBZBWLYSA-N 0 0 442.127 6.425 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F ZINC000223344679 557460785 /nfs/dbraw/zinc/46/07/85/557460785.db2.gz IXOZCEQGNHPEOB-RPWUZVMVSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 ZINC000223344883 557460795 /nfs/dbraw/zinc/46/07/95/557460795.db2.gz MYJZDWBTZCMVDD-DNQXCXABSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000223345258 557460813 /nfs/dbraw/zinc/46/08/13/557460813.db2.gz POZBHOAIFYTJPA-BJKOFHAPSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000223374494 557464289 /nfs/dbraw/zinc/46/42/89/557464289.db2.gz BHECDZXIVSFNBG-DQEYMECFSA-N 0 0 439.588 5.057 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000223458113 557474425 /nfs/dbraw/zinc/47/44/25/557474425.db2.gz POESCYLHAQPPMQ-RPBOFIJWSA-N 0 0 439.588 5.057 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl ZINC000017086118 557476600 /nfs/dbraw/zinc/47/66/00/557476600.db2.gz BBKJRRWZAXHYLA-PXLXIMEGSA-N 0 0 446.934 6.124 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223487811 557478402 /nfs/dbraw/zinc/47/84/02/557478402.db2.gz XICKPXMNEXOMAJ-DDLUMYACSA-N 0 0 442.581 5.085 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 ZINC000223493930 557479219 /nfs/dbraw/zinc/47/92/19/557479219.db2.gz NHBSSFBVHUHYPA-LOSJGSFVSA-N 0 0 439.588 5.057 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 ZINC000223493821 557479318 /nfs/dbraw/zinc/47/93/18/557479318.db2.gz NHBSSFBVHUHYPA-JWQCQUIFSA-N 0 0 439.588 5.057 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(Cl)cc2C)cc1 ZINC000017097738 557479696 /nfs/dbraw/zinc/47/96/96/557479696.db2.gz ZHFJQYANSOZTCG-QJOMJCCJSA-N 0 0 431.923 5.794 40 10 IKCBRN Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223512178 557481135 /nfs/dbraw/zinc/48/11/35/557481135.db2.gz JZNCECFDVHQSMJ-QRVIBDJDSA-N 0 0 429.589 5.176 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223521003 557481908 /nfs/dbraw/zinc/48/19/08/557481908.db2.gz PFDLKRXXACHREB-QRVIBDJDSA-N 0 0 447.554 5.637 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223520821 557481999 /nfs/dbraw/zinc/48/19/99/557481999.db2.gz IOTHZNTYYGKGOQ-UCQKPKSFSA-N 0 0 429.564 5.498 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000223533526 557482805 /nfs/dbraw/zinc/48/28/05/557482805.db2.gz RAIXEFYTPFWZBP-RPBOFIJWSA-N 0 0 439.588 5.057 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000223533583 557482891 /nfs/dbraw/zinc/48/28/91/557482891.db2.gz RAIXEFYTPFWZBP-LOSJGSFVSA-N 0 0 439.588 5.057 40 10 IKCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 ZINC000017095419 557486324 /nfs/dbraw/zinc/48/63/24/557486324.db2.gz TXWOKFNLVSYBTP-MOHJPFBDSA-N 0 0 427.504 5.231 40 10 IKCBRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccccc2O)Nc2ccccc2S3)cc1 ZINC000017095879 557487055 /nfs/dbraw/zinc/48/70/55/557487055.db2.gz IWGHOXXHBAKYFF-QFIPXVFZSA-N 0 0 428.513 5.041 40 10 IKCBRN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017102232 557491035 /nfs/dbraw/zinc/49/10/35/557491035.db2.gz HTDRKYCDYARKQR-BWAHOGKJSA-N 0 0 438.506 5.164 40 10 IKCBRN CC(Nc1cc(C)cc(C)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017102611 557491287 /nfs/dbraw/zinc/49/12/87/557491287.db2.gz HHAKRJCVIREBPL-NKFKGCMQSA-N 0 0 438.556 6.050 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223617464 557492527 /nfs/dbraw/zinc/49/25/27/557492527.db2.gz PJCXPAVWPKEIOD-VLZFXTDASA-N 0 0 449.570 5.728 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616987 557492545 /nfs/dbraw/zinc/49/25/45/557492545.db2.gz DCPRZZJZEDTICQ-CSMVZQPBSA-N 0 0 431.580 5.589 40 10 IKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC2CCCCC2)cc1 ZINC000019645036 557504681 /nfs/dbraw/zinc/50/46/81/557504681.db2.gz RDVLBBPZLZGBEU-JWGURIENSA-N 0 0 446.576 5.252 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(Cl)cc2C)cc1 ZINC000020289131 557519882 /nfs/dbraw/zinc/51/98/82/557519882.db2.gz CNUGERHFNABWRQ-KQWNVCNZSA-N 0 0 449.913 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000224163756 557568984 /nfs/dbraw/zinc/56/89/84/557568984.db2.gz OVLHSRHEXLTFRW-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F ZINC000224164942 557569385 /nfs/dbraw/zinc/56/93/85/557569385.db2.gz SJZHGTWELDGQCC-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000224165278 557569483 /nfs/dbraw/zinc/56/94/83/557569483.db2.gz WADNPAUUJKIUKX-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000224165172 557569492 /nfs/dbraw/zinc/56/94/92/557569492.db2.gz WADNPAUUJKIUKX-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000224167273 557569652 /nfs/dbraw/zinc/56/96/52/557569652.db2.gz FAQHOVBRQSMSFX-JWQCQUIFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000224173553 557570392 /nfs/dbraw/zinc/57/03/92/557570392.db2.gz GRKOGMFTGBWNJK-LOSJGSFVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ncccc1C ZINC000224173206 557570396 /nfs/dbraw/zinc/57/03/96/557570396.db2.gz GDWQXUNQNSZGPO-DNQXCXABSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ncccc1C ZINC000224173253 557570411 /nfs/dbraw/zinc/57/04/11/557570411.db2.gz GDWQXUNQNSZGPO-RPWUZVMVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000224173443 557570440 /nfs/dbraw/zinc/57/04/40/557570440.db2.gz GRKOGMFTGBWNJK-JWQCQUIFSA-N 0 0 439.588 5.370 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224187052 557572701 /nfs/dbraw/zinc/57/27/01/557572701.db2.gz JFQUKYAIPRMWFI-LOSJGSFVSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000224227653 557577813 /nfs/dbraw/zinc/57/78/13/557577813.db2.gz DQDLFASGBLWHCF-LOSJGSFVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000224233307 557578955 /nfs/dbraw/zinc/57/89/55/557578955.db2.gz UXGVFKOEGQWFCM-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000224320333 557590899 /nfs/dbraw/zinc/59/08/99/557590899.db2.gz XAFDEBNAFKUTBO-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000224320460 557591073 /nfs/dbraw/zinc/59/10/73/557591073.db2.gz XAFDEBNAFKUTBO-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000224352852 557596903 /nfs/dbraw/zinc/59/69/03/557596903.db2.gz VOWYOMNCXVSCQA-FTJBHMTQSA-N 0 0 438.600 5.920 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 ZINC000224424143 557604700 /nfs/dbraw/zinc/60/47/00/557604700.db2.gz XLSQKEKVKVCYIW-BJKOFHAPSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 ZINC000224430923 557605611 /nfs/dbraw/zinc/60/56/11/557605611.db2.gz ZSHRWRZCWPLUOL-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 ZINC000224430975 557605701 /nfs/dbraw/zinc/60/57/01/557605701.db2.gz ZSHRWRZCWPLUOL-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000224480902 557610900 /nfs/dbraw/zinc/61/09/00/557610900.db2.gz HEASEZBLZRPDNX-RPWUZVMVSA-N 0 0 444.991 6.011 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000224480937 557610908 /nfs/dbraw/zinc/61/09/08/557610908.db2.gz HEASEZBLZRPDNX-BJKOFHAPSA-N 0 0 444.991 6.011 40 10 IKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 ZINC000224550602 557621197 /nfs/dbraw/zinc/62/11/97/557621197.db2.gz CORXCINIKYYGPJ-RPBOFIJWSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 ZINC000224621891 557631974 /nfs/dbraw/zinc/63/19/74/557631974.db2.gz YCXMRMOPGVBIKO-BJKOFHAPSA-N 0 0 426.545 5.063 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C ZINC000225013900 557677639 /nfs/dbraw/zinc/67/76/39/557677639.db2.gz ICTLKFFMKUIRMT-JWQCQUIFSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C ZINC000225014020 557677664 /nfs/dbraw/zinc/67/76/64/557677664.db2.gz ICTLKFFMKUIRMT-DQEYMECFSA-N 0 0 430.621 5.713 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225014797 557677894 /nfs/dbraw/zinc/67/78/94/557677894.db2.gz QTRLXUZRUQQMKM-FTJBHMTQSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000225014347 557677921 /nfs/dbraw/zinc/67/79/21/557677921.db2.gz CKVJZCVOSKYVBS-DQEYMECFSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000225014271 557677947 /nfs/dbraw/zinc/67/79/47/557677947.db2.gz CKVJZCVOSKYVBS-RPBOFIJWSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000225015336 557678075 /nfs/dbraw/zinc/67/80/75/557678075.db2.gz VSKZGSZGNAQOTG-BJKOFHAPSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F ZINC000225014965 557678110 /nfs/dbraw/zinc/67/81/10/557678110.db2.gz JZYUENJIAFUBIK-RPWUZVMVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000225015380 557678114 /nfs/dbraw/zinc/67/81/14/557678114.db2.gz VSKZGSZGNAQOTG-ZEQRLZLVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 ZINC000225016715 557678285 /nfs/dbraw/zinc/67/82/85/557678285.db2.gz XXJLEYCFGDGBRP-RPWUZVMVSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1C ZINC000225018435 557678423 /nfs/dbraw/zinc/67/84/23/557678423.db2.gz COLWLRWQWTZKMQ-IZZNHLLZSA-N 0 0 444.648 6.021 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225017030 557678486 /nfs/dbraw/zinc/67/84/86/557678486.db2.gz WDUMEKQCMWLQMW-JWQCQUIFSA-N 0 0 446.620 5.413 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1c(C)cccc1C ZINC000225018768 557678671 /nfs/dbraw/zinc/67/86/71/557678671.db2.gz ZUVCXLDQFSUBPY-RSXGOPAZSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225019019 557678696 /nfs/dbraw/zinc/67/86/96/557678696.db2.gz ONOUHUKRURQPNN-UIOOFZCWSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccc1C ZINC000225018618 557678717 /nfs/dbraw/zinc/67/87/17/557678717.db2.gz SWLLFWJCRCULBX-IZZNHLLZSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)n1 ZINC000225292045 557709513 /nfs/dbraw/zinc/70/95/13/557709513.db2.gz CUZPCCOIHPEJCT-JOCHJYFZSA-N 0 0 430.596 5.276 40 10 IKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225424018 557721667 /nfs/dbraw/zinc/72/16/67/557721667.db2.gz WAZVAJGHZGORPD-UHFFFAOYSA-N 0 0 433.646 6.066 40 10 IKCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225655317 557757407 /nfs/dbraw/zinc/75/74/07/557757407.db2.gz QSSNJWBSRVTMPJ-SFHVURJKSA-N 0 0 425.598 5.066 40 10 IKCBRN C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654142 557757492 /nfs/dbraw/zinc/75/74/92/557757492.db2.gz AXSNBYYFFZHSAF-MRXNPFEDSA-N 0 0 432.431 5.733 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656417 557757640 /nfs/dbraw/zinc/75/76/40/557757640.db2.gz HNAYGYHWCCTCDO-IBGZPJMESA-N 0 0 436.625 5.097 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl ZINC000225655920 557757664 /nfs/dbraw/zinc/75/76/64/557757664.db2.gz FRLQZIFWVHBECQ-MRXNPFEDSA-N 0 0 446.016 5.411 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656895 557757845 /nfs/dbraw/zinc/75/78/45/557757845.db2.gz UKVIWADJYJHDQV-HXUWFJFHSA-N 0 0 437.653 6.292 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656920 557757900 /nfs/dbraw/zinc/75/79/00/557757900.db2.gz UKVIWADJYJHDQV-FQEVSTJZSA-N 0 0 437.653 6.292 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664140 557759016 /nfs/dbraw/zinc/75/90/16/557759016.db2.gz RFTMRJIMYRTGSI-CQSZACIVSA-N 0 0 441.950 6.397 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665028 557759369 /nfs/dbraw/zinc/75/93/69/557759369.db2.gz PNZBNUMFIBIFGY-HNNXBMFYSA-N 0 0 431.989 5.165 40 10 IKCBRN CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225665688 557759521 /nfs/dbraw/zinc/75/95/21/557759521.db2.gz ZEQKZHDEWLQEAC-MRXNPFEDSA-N 0 0 446.016 5.555 40 10 IKCBRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br ZINC000225668921 557760088 /nfs/dbraw/zinc/76/00/88/557760088.db2.gz BOKWGPPQOUOEHD-WBVHZDCISA-N 0 0 446.458 6.041 40 10 IKCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225669193 557760105 /nfs/dbraw/zinc/76/01/05/557760105.db2.gz CAAXYJBUCCXMKU-AEFFLSMTSA-N 0 0 425.598 5.066 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670195 557760387 /nfs/dbraw/zinc/76/03/87/557760387.db2.gz MBGSLOHAHQYIDZ-MSOLQXFVSA-N 0 0 425.598 5.147 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225670507 557760526 /nfs/dbraw/zinc/76/05/26/557760526.db2.gz YHJTUDIASANRNU-MOPGFXCFSA-N 0 0 436.625 5.097 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225670404 557760584 /nfs/dbraw/zinc/76/05/84/557760584.db2.gz SEXKHRIJQHLVIZ-MJGOQNOKSA-N 0 0 439.625 5.456 40 10 IKCBRN CCN(CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000225733686 557770302 /nfs/dbraw/zinc/77/03/02/557770302.db2.gz KHJXGANCXDOVEP-UHFFFAOYSA-N 0 0 449.689 6.490 40 10 IKCBRN FC(F)(F)c1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1Cl ZINC000225745682 557772015 /nfs/dbraw/zinc/77/20/15/557772015.db2.gz NXDMVRKYZYTKQL-UHFFFAOYSA-N 0 0 427.923 5.488 40 10 IKCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225798161 557778728 /nfs/dbraw/zinc/77/87/28/557778728.db2.gz CPICSPLLLOKTEL-UHFFFAOYSA-N 0 0 437.634 5.410 40 10 IKCBRN Cc1cc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C(C)C)c(C)n1-c1ccccc1 ZINC000225982477 557798908 /nfs/dbraw/zinc/79/89/08/557798908.db2.gz XRNSWTOGGIORBK-UHFFFAOYSA-N 0 0 437.996 6.408 40 10 IKCBRN COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)oc2c1 ZINC000225982648 557798910 /nfs/dbraw/zinc/79/89/10/557798910.db2.gz SAFXNLUWKZDQBB-UHFFFAOYSA-N 0 0 437.927 5.178 40 10 IKCBRN CCOC(=O)c1ccc(N[C@H](c2ccc(OC)cc2)c2ccc3cccnc3c2O)cc1 ZINC000033375261 557807518 /nfs/dbraw/zinc/80/75/18/557807518.db2.gz DHPFVSVTSIBTCB-HSZRJFAPSA-N 0 0 428.488 5.327 40 10 IKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000033388509 557807786 /nfs/dbraw/zinc/80/77/86/557807786.db2.gz WYLUGSPSLBQVER-BKUYFWCQSA-N 0 0 438.911 6.141 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000033729978 557809064 /nfs/dbraw/zinc/80/90/64/557809064.db2.gz DYLZVZGKCQXDSI-WOJGMQOQSA-N 0 0 446.380 6.968 40 10 IKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848879 557811920 /nfs/dbraw/zinc/81/19/20/557811920.db2.gz HRLPXJQYTSEFRK-WZOHSFFVSA-N 0 0 432.545 5.323 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000058865630 557812105 /nfs/dbraw/zinc/81/21/05/557812105.db2.gz JZTWRNUOBODNMH-UHFFFAOYSA-N 0 0 447.314 5.716 40 10 IKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000058851301 557812141 /nfs/dbraw/zinc/81/21/41/557812141.db2.gz QBZMNKCUUGHONM-PEBVRCNWSA-N 0 0 429.572 7.236 40 10 IKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 ZINC000058850932 557812148 /nfs/dbraw/zinc/81/21/48/557812148.db2.gz XGJCZXJLCDGPBI-FTLABTOESA-N 0 0 425.672 5.910 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3[N+](=O)[O-])N4)sc2c1 ZINC000058851182 557812177 /nfs/dbraw/zinc/81/21/77/557812177.db2.gz JYLCYOZPCHXSOP-FUMQJTLXSA-N 0 0 439.540 7.006 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845668 557812721 /nfs/dbraw/zinc/81/27/21/557812721.db2.gz VOVQEWFAIUNURN-VVZHRXSXSA-N 0 0 430.573 5.931 40 10 IKCBRN COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000058837630 557812757 /nfs/dbraw/zinc/81/27/57/557812757.db2.gz HZYMXLLRPKVOHI-QEEYODRMSA-N 0 0 433.289 5.135 40 10 IKCBRN O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058845645 557812796 /nfs/dbraw/zinc/81/27/96/557812796.db2.gz ZATUBXFKQDVCEM-WZOHSFFVSA-N 0 0 446.528 5.043 40 10 IKCBRN 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Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000059138800 557816465 /nfs/dbraw/zinc/81/64/65/557816465.db2.gz HXTPSJYKVYYPLF-FYJGNVAPSA-N 0 0 447.922 5.065 40 10 IKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000059435732 557820665 /nfs/dbraw/zinc/82/06/65/557820665.db2.gz FUJWCVZOLRJWMR-BOPFTXTBSA-N 0 0 432.303 5.269 40 10 IKCBRN Cc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2C)C1=O ZINC000059391272 557822403 /nfs/dbraw/zinc/82/24/03/557822403.db2.gz RIYPQICEYYAGCV-UHFFFAOYSA-N 0 0 430.891 5.540 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000059417943 557822951 /nfs/dbraw/zinc/82/29/51/557822951.db2.gz BBEOZDLKPPIMCC-DEDYPNTBSA-N 0 0 429.973 5.601 40 10 IKCBRN COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)O2)cc1 ZINC000059425984 557823634 /nfs/dbraw/zinc/82/36/34/557823634.db2.gz AZQYJLIKMTWCHS-VBKFSLOCSA-N 0 0 437.289 6.007 40 10 IKCBRN CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 ZINC000059425813 557823650 /nfs/dbraw/zinc/82/36/50/557823650.db2.gz DJIHVFILMZKTBH-PTNGSMBKSA-N 0 0 427.283 6.633 40 10 IKCBRN CCCCC1(Cc2ccc(OC)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000059498130 557826333 /nfs/dbraw/zinc/82/63/33/557826333.db2.gz NRRYSFHXEKABGO-UHFFFAOYSA-N 0 0 428.532 5.409 40 10 IKCBRN O=C1NC(=S)S/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059678691 557828563 /nfs/dbraw/zinc/82/85/63/557828563.db2.gz RZMFDZQIXKYYEQ-IZZDOVSWSA-N 0 0 432.773 5.336 40 10 IKCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000223014664 568626686 /nfs/dbraw/zinc/62/66/86/568626686.db2.gz XWYUATCBCJDGMJ-UKILVPOCSA-N 0 0 448.636 5.033 40 10 IKCBRN Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(N(C)C)cc4)c12)C(=O)c1ccccc1-3 ZINC000044138298 568760261 /nfs/dbraw/zinc/76/02/61/568760261.db2.gz UJXZIGHCBOGBSB-UHFFFAOYSA-N 0 0 430.511 5.673 40 10 IKCBRN N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000032109450 568781431 /nfs/dbraw/zinc/78/14/31/568781431.db2.gz AXHTXLUIYSWMJV-OLOAGALHSA-N 0 0 449.492 5.054 40 10 IKCBRN O=C1NC(=S)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)S1 ZINC000016805070 568893840 /nfs/dbraw/zinc/89/38/40/568893840.db2.gz RILJWIGYHBLINI-IQDKPADRSA-N 0 0 441.581 6.167 40 10 IKCBRN O=C1NC(=S)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)S1 ZINC000016805072 568893926 /nfs/dbraw/zinc/89/39/26/568893926.db2.gz RILJWIGYHBLINI-PZLPMSIKSA-N 0 0 441.581 6.167 40 10 IKCBRN COc1ccccc1/N=N/c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000102992207 568900573 /nfs/dbraw/zinc/90/05/73/568900573.db2.gz VPVOGPDPFXNLDJ-OCEACIFDSA-N 0 0 448.435 5.123 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000026675895 568906057 /nfs/dbraw/zinc/90/60/57/568906057.db2.gz QZBGGTMIFOPGAN-HAHDFKILSA-N 0 0 447.581 5.988 40 10 IKCBRN CC(/C=C1/SC(=S)N(CCCC(=O)Nc2nc(C)cs2)C1=O)=C/c1ccccc1 ZINC000026779786 568916747 /nfs/dbraw/zinc/91/67/47/568916747.db2.gz YKCGKARPVPNQSX-HLXKFHDQSA-N 0 0 443.619 5.018 40 10 IKCBRN 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569259340 /nfs/dbraw/zinc/25/93/40/569259340.db2.gz JGVFVOYSVYPRST-JLPGSUDCSA-N 0 0 438.458 5.019 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S ZINC000033648423 569259429 /nfs/dbraw/zinc/25/94/29/569259429.db2.gz RMKUHMGQSIMVDD-RZNTYIFUSA-N 0 0 429.306 5.383 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000033650723 569259525 /nfs/dbraw/zinc/25/95/25/569259525.db2.gz YFFCMABWJSKOFO-QGOAFFKASA-N 0 0 430.982 5.228 40 10 IKCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000033685449 569259607 /nfs/dbraw/zinc/25/96/07/569259607.db2.gz KGSXYRDTGPBVLV-GRSHGNNSSA-N 0 0 448.325 5.134 40 10 IKCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000033743547 569259730 /nfs/dbraw/zinc/25/97/30/569259730.db2.gz KGJWQNRYYLLUSN-JAIQZWGSSA-N 0 0 448.922 5.763 40 10 IKCBRN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)S1 ZINC000033734553 569259738 /nfs/dbraw/zinc/25/97/38/569259738.db2.gz OPTFVHNXGICAEP-MTJSOVHGSA-N 0 0 433.489 5.862 40 10 IKCBRN Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000034697547 569259940 /nfs/dbraw/zinc/25/99/40/569259940.db2.gz ARULUGLKLNZFEJ-UQQQWYQISA-N 0 0 434.495 5.189 40 10 IKCBRN O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000034864634 569260050 /nfs/dbraw/zinc/26/00/50/569260050.db2.gz JGBAPPZSQIHYCH-STZFKDTASA-N 0 0 448.525 5.580 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)S2)cc1 ZINC000035131831 569260225 /nfs/dbraw/zinc/26/02/25/569260225.db2.gz KGJQHNHRVSTMJJ-STZFKDTASA-N 0 0 425.529 5.215 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1C1CCCCC1 ZINC000040006323 569260374 /nfs/dbraw/zinc/26/03/74/569260374.db2.gz MESCASLRPGSPNB-STZFKDTASA-N 0 0 444.021 6.453 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c1 ZINC000096505069 569260532 /nfs/dbraw/zinc/26/05/32/569260532.db2.gz NDSWQSHAMBDRIQ-XSFVSMFZSA-N 0 0 439.646 6.701 40 10 IKCBRN 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/nfs/dbraw/zinc/26/09/26/569260926.db2.gz IOKQXQGQUJODAB-HMAPJEAMSA-N 0 0 434.948 6.310 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000205728832 569261036 /nfs/dbraw/zinc/26/10/36/569261036.db2.gz ZUXXNTCXPVBNLD-LPYMAVHISA-N 0 0 448.544 5.235 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000205657348 569261042 /nfs/dbraw/zinc/26/10/42/569261042.db2.gz QKXGIXYNHWJSFI-AWQFTUOYSA-N 0 0 444.940 5.151 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000205734873 569261050 /nfs/dbraw/zinc/26/10/50/569261050.db2.gz HYCNEFJMKQCKMU-LPYMAVHISA-N 0 0 448.544 5.235 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1Cc1ccccc1 ZINC000200282227 569261107 /nfs/dbraw/zinc/26/11/07/569261107.db2.gz WATXFPFHTKJSJX-UNOMPAQXSA-N 0 0 445.487 6.367 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4cccc(Cl)c4)=NC3=O)cc2[C@H](C)CC1(C)C ZINC000208310200 569261179 /nfs/dbraw/zinc/26/11/79/569261179.db2.gz OXHRQXFVUIROFH-OFNOZLENSA-N 0 0 440.012 6.535 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4ccc(C)cc4C)=NC3=O)cc2[C@H](C)CC1(C)C ZINC000208311248 569261202 /nfs/dbraw/zinc/26/12/02/569261202.db2.gz UUVUEENZQRBIKO-NLKUQUHMSA-N 0 0 433.621 6.498 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C ZINC000208327486 569261360 /nfs/dbraw/zinc/26/13/60/569261360.db2.gz ZYYZJOKDDXTJHD-VYZAVGSRSA-N 0 0 435.543 5.339 40 10 IKCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208323842 569261406 /nfs/dbraw/zinc/26/14/06/569261406.db2.gz HQXCQLPVHUHHKQ-MBTVCVBTSA-N 0 0 444.597 5.095 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O ZINC000208327849 569261419 /nfs/dbraw/zinc/26/14/19/569261419.db2.gz IECDAROZXRSRDU-QZZQKYANSA-N 0 0 444.597 5.095 40 10 IKCBRN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000250503873 569271164 /nfs/dbraw/zinc/27/11/64/569271164.db2.gz JOUMBLBLQLDIEG-TVZXLZGTSA-N 0 0 426.357 7.582 40 10 IKCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(Cl)nc2c1 ZINC000256055566 569275006 /nfs/dbraw/zinc/27/50/06/569275006.db2.gz LNOUNNCFAWFPAW-MFOYZWKCSA-N 0 0 428.922 5.008 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc(C)c1Cl ZINC000260453110 569281095 /nfs/dbraw/zinc/28/10/95/569281095.db2.gz DZEORQJEVMHSHC-PWIZWCRZSA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc(C)c1Cl ZINC000260453103 569281109 /nfs/dbraw/zinc/28/11/09/569281109.db2.gz DZEORQJEVMHSHC-FFZOFVMBSA-N 0 0 429.004 5.838 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000260567545 569281160 /nfs/dbraw/zinc/28/11/60/569281160.db2.gz LSDMZDVXUASUMS-VTLGGBRFSA-N 0 0 444.597 5.175 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C ZINC000260562694 569281201 /nfs/dbraw/zinc/28/12/01/569281201.db2.gz BHNNOWHNQHYSEZ-VYZAVGSRSA-N 0 0 435.543 5.419 40 10 IKCBRN 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6.219 40 10 IKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000008821854 556223900 /nfs/dbraw/zinc/22/39/00/556223900.db2.gz JHJFKHAQPQXHTC-PXLXIMEGSA-N 0 0 447.516 6.280 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc43)SC2=S)cc1C ZINC000009187047 556250763 /nfs/dbraw/zinc/25/07/63/556250763.db2.gz KEWRHGRYDNPNNW-BUVRLJJBSA-N 0 0 425.578 7.016 40 10 IKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 ZINC000009188369 556251089 /nfs/dbraw/zinc/25/10/89/556251089.db2.gz SXRQNIVNEPJNHO-KQWNVCNZSA-N 0 0 446.597 5.737 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000009188498 556251122 /nfs/dbraw/zinc/25/11/22/556251122.db2.gz BSTRVTFSGIEFPG-KQWNVCNZSA-N 0 0 447.581 6.070 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000009188592 556251293 /nfs/dbraw/zinc/25/12/93/556251293.db2.gz GCBIUGXHSWOVQP-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009188564 556251310 /nfs/dbraw/zinc/25/13/10/556251310.db2.gz WFHLDGRBMPJULO-MOSHPQCFSA-N 0 0 441.499 6.778 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)c(C)c1 ZINC000009188604 556251326 /nfs/dbraw/zinc/25/13/26/556251326.db2.gz YKFOLLSWYKLGBV-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 ZINC000009188757 556251675 /nfs/dbraw/zinc/25/16/75/556251675.db2.gz QLPGFARPUGJWOP-QNGOZBTKSA-N 0 0 446.553 5.334 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O ZINC000009233767 556262369 /nfs/dbraw/zinc/26/23/69/556262369.db2.gz NNCJAYXNWGCZMG-XNTDXEJSSA-N 0 0 442.400 5.087 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000009260743 556268643 /nfs/dbraw/zinc/26/86/43/556268643.db2.gz AJDDANDQSWYCMI-IWIPYMOSSA-N 0 0 425.919 6.149 40 10 IKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000036080637 556271455 /nfs/dbraw/zinc/27/14/55/556271455.db2.gz WTSKPSQEIMTIBK-QQNWGBJXSA-N 0 0 440.543 7.124 40 10 IKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000036080679 556271831 /nfs/dbraw/zinc/27/18/31/556271831.db2.gz CIKLEVXLEUJAEO-KHVXQDHOSA-N 0 0 429.947 6.948 40 10 IKCBRN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000009444609 556292159 /nfs/dbraw/zinc/29/21/59/556292159.db2.gz FFTKTSQZKIYYOU-QGOAFFKASA-N 0 0 430.982 5.269 40 10 IKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000011565583 556341947 /nfs/dbraw/zinc/34/19/47/556341947.db2.gz PSBYRURCPADVCG-AUWJEWJLSA-N 0 0 443.764 5.193 40 10 IKCBRN CCCCCC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000014921405 556458608 /nfs/dbraw/zinc/45/86/08/556458608.db2.gz ROFZCWQLANYSPI-UHFFFAOYSA-N 0 0 440.499 5.233 40 10 IKCBRN CCCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408875197 556463744 /nfs/dbraw/zinc/46/37/44/556463744.db2.gz HBESYIKHXWZFTQ-UHFFFAOYSA-N 0 0 426.472 5.059 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000408883589 556472957 /nfs/dbraw/zinc/47/29/57/556472957.db2.gz UZRWCRCLENZDCH-JLPGSUDCSA-N 0 0 440.543 5.588 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408892729 556478756 /nfs/dbraw/zinc/47/87/56/556478756.db2.gz JIDNHDSVQJAFDX-WJDWOHSUSA-N 0 0 436.722 5.914 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408902029 556488896 /nfs/dbraw/zinc/48/88/96/556488896.db2.gz JXTUUAMEFJWUTE-ITRAFESCSA-N 0 0 448.009 6.322 40 10 IKCBRN CC(C)(C)c1cc([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000031771972 556526135 /nfs/dbraw/zinc/52/61/35/556526135.db2.gz FAKVDARGWOYRLZ-QHCPKHFHSA-N 0 0 425.569 5.138 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000032109632 556530426 /nfs/dbraw/zinc/53/04/26/556530426.db2.gz FNEQFTNPGRVDSZ-LPYMAVHISA-N 0 0 433.939 5.457 40 10 IKCBRN Cc1ccc(C2=C/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1 ZINC000032180641 556537165 /nfs/dbraw/zinc/53/71/65/556537165.db2.gz OIMDQMCWLLFNRZ-NDENLUEZSA-N 0 0 437.322 6.862 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408939167 556537725 /nfs/dbraw/zinc/53/77/25/556537725.db2.gz LUCOIDDUIMQKHI-OVVQPSECSA-N 0 0 446.506 5.861 40 10 IKCBRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N(CC)CC)cc2)C1C(=O)OCC ZINC000013634866 556540560 /nfs/dbraw/zinc/54/05/60/556540560.db2.gz DSAZQAUWHOOCDJ-DEOSSOPVSA-N 0 0 432.568 5.515 40 10 IKCBRN Cc1cccc2c(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c(-c3ccccc3)[nH]c21 ZINC000408963977 556569700 /nfs/dbraw/zinc/56/97/00/556569700.db2.gz KOELVUANHBGGPW-QNGOZBTKSA-N 0 0 445.444 6.492 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967365 556576467 /nfs/dbraw/zinc/57/64/67/556576467.db2.gz QDSIFEZYKNEFFX-XYGWBWBKSA-N 0 0 441.575 5.793 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(C(C)(C)C)c1O ZINC000408969831 556581752 /nfs/dbraw/zinc/58/17/52/556581752.db2.gz VHVBRVNLTHQAKR-ATVHPVEESA-N 0 0 444.497 6.336 40 10 IKCBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccccc1 ZINC000016227614 556593252 /nfs/dbraw/zinc/59/32/52/556593252.db2.gz CGGUKKXDATYIPW-HAHDFKILSA-N 0 0 447.581 5.676 40 10 IKCBRN Cc1ccc(C(=O)c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)c(N3CCOCC3)s2)cc1 ZINC000016292088 556598064 /nfs/dbraw/zinc/59/80/64/556598064.db2.gz PFUBRYTXNLVDSC-WCWDXBQESA-N 0 0 436.493 5.448 40 10 IKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971835 556599054 /nfs/dbraw/zinc/59/90/54/556599054.db2.gz QTEFVIOUYVLLRT-ATVHPVEESA-N 0 0 448.853 6.433 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000016322998 556600601 /nfs/dbraw/zinc/60/06/01/556600601.db2.gz XKDDZTSAIRCYIY-RGEXLXHISA-N 0 0 425.619 6.393 40 10 IKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000072106833 556609739 /nfs/dbraw/zinc/60/97/39/556609739.db2.gz XOJFTQZLFOESNH-OYKKKHCWSA-N 0 0 425.919 6.149 40 10 IKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000016476970 556610971 /nfs/dbraw/zinc/61/09/71/556610971.db2.gz TYRMIMUHKLTDOJ-UHFFFAOYSA-N 0 0 435.763 6.687 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973052 556611861 /nfs/dbraw/zinc/61/18/61/556611861.db2.gz RQBZQUFJMQJTLH-ZHZULCJRSA-N 0 0 440.396 5.753 40 10 IKCBRN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c1 ZINC000408973162 556611919 /nfs/dbraw/zinc/61/19/19/556611919.db2.gz ZHXHNVCEOVXVKG-AQTBWJFISA-N 0 0 440.377 5.082 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)cc1 ZINC000016678583 556623255 /nfs/dbraw/zinc/62/32/55/556623255.db2.gz NBJYOTKSERSRNW-UHFFFAOYSA-N 0 0 449.938 6.255 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)cc1 ZINC000016678569 556623296 /nfs/dbraw/zinc/62/32/96/556623296.db2.gz SKIZEEMLIIXRKW-UHFFFAOYSA-N 0 0 443.547 5.975 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1 ZINC000016678606 556623514 /nfs/dbraw/zinc/62/35/14/556623514.db2.gz DIFSYRZTHCRAID-UHFFFAOYSA-N 0 0 443.547 6.381 40 10 IKCBRN COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C ZINC000033771800 556632238 /nfs/dbraw/zinc/63/22/38/556632238.db2.gz PPJAODHIZIXASU-GUOILJMFSA-N 0 0 449.580 5.076 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC(C)C ZINC000013915332 556661749 /nfs/dbraw/zinc/66/17/49/556661749.db2.gz REGQFAXIOMNLBZ-GIJQJNRQSA-N 0 0 437.945 5.681 40 10 IKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 ZINC000083262027 556662879 /nfs/dbraw/zinc/66/28/79/556662879.db2.gz GBAPHJUPYMZBJI-FOWTUZBSSA-N 0 0 439.338 7.532 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1 ZINC000083317674 556663820 /nfs/dbraw/zinc/66/38/20/556663820.db2.gz OIMDQMCWLLFNRZ-UDWIEESQSA-N 0 0 437.322 6.862 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000017288265 556674487 /nfs/dbraw/zinc/67/44/87/556674487.db2.gz QRBYJKAETWUSQJ-CIAFOILYSA-N 0 0 445.521 5.512 40 10 IKCBRN Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000017300226 556675012 /nfs/dbraw/zinc/67/50/12/556675012.db2.gz UVLPIULWZIAFJH-NNVROAHOSA-N 0 0 449.984 6.745 40 10 IKCBRN Cc1oc2ccc(O)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418552 556677188 /nfs/dbraw/zinc/67/71/88/556677188.db2.gz INPGQTSUSFGREI-KBPBESRZSA-N 0 0 442.943 5.270 40 10 IKCBRN S=C(Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)s1)Nc1ccccc1 ZINC000017920101 556680217 /nfs/dbraw/zinc/68/02/17/556680217.db2.gz FWRCRAHWQIXPOJ-BYYHNAKLSA-N 0 0 449.992 7.688 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408758895 556681649 /nfs/dbraw/zinc/68/16/49/556681649.db2.gz UFOALUIZMFBKGK-RGEXLXHISA-N 0 0 446.890 6.037 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 ZINC000408758575 556681653 /nfs/dbraw/zinc/68/16/53/556681653.db2.gz MXMNEHCXANIOFZ-RGVLZGJSSA-N 0 0 443.717 6.187 40 10 IKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(F)c2)c1-c1ccccc1 ZINC000018043079 556682190 /nfs/dbraw/zinc/68/21/90/556682190.db2.gz GLOBJWDLGCXKBW-OCEACIFDSA-N 0 0 432.549 7.268 40 10 IKCBRN COc1ccc(/N=N/c2c(-c3cccs3)nn(C(=S)SC)c2C(F)(F)F)cc1 ZINC000018119717 556684469 /nfs/dbraw/zinc/68/44/69/556684469.db2.gz YDAIJSJRCCZXEH-QURGRASLSA-N 0 0 442.513 6.550 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408984297 556685111 /nfs/dbraw/zinc/68/51/11/556685111.db2.gz GKKNSTHGLNYYQQ-XMHGGMMESA-N 0 0 446.890 6.118 40 10 IKCBRN COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N/c1c[nH]c2ccccc12 ZINC000018180598 556685796 /nfs/dbraw/zinc/68/57/96/556685796.db2.gz QBIHSRMOMHUBMR-JQRDNDPDSA-N 0 0 430.424 6.924 40 10 IKCBRN Nc1cc(N)c(/N=N/c2ccc(Cl)c(/N=N/c3cc(Cl)c(N)cc3N)c2)cc1Cl ZINC000018182881 556686071 /nfs/dbraw/zinc/68/60/71/556686071.db2.gz UDHQBTHXNKZWJS-TUUFZWAFSA-N 0 0 449.733 6.806 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408759839 556686974 /nfs/dbraw/zinc/68/69/74/556686974.db2.gz MPIIQVHYRGDSRK-KGENOOAVSA-N 0 0 434.854 5.100 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408759945 556687280 /nfs/dbraw/zinc/68/72/80/556687280.db2.gz OSHXIXQZIMAEJR-DEDYPNTBSA-N 0 0 436.870 5.331 40 10 IKCBRN CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408985969 556687429 /nfs/dbraw/zinc/68/74/29/556687429.db2.gz OGKSDJHFKVCNRM-HMMYKYKNSA-N 0 0 448.393 7.762 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408760898 556687467 /nfs/dbraw/zinc/68/74/67/556687467.db2.gz ARGZFKMWVLOTDI-PXLXIMEGSA-N 0 0 446.348 5.350 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Cl)cc1 ZINC000408761164 556687818 /nfs/dbraw/zinc/68/78/18/556687818.db2.gz BXPNBYGHCBECTM-JJIBRWJFSA-N 0 0 445.950 5.639 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408761301 556687852 /nfs/dbraw/zinc/68/78/52/556687852.db2.gz DHWJBFPNBQCRBK-UYRXBGFRSA-N 0 0 436.338 6.782 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3SC)C2=O)cc1 ZINC000408987039 556688361 /nfs/dbraw/zinc/68/83/61/556688361.db2.gz VALBFUNPPLTTME-CAPFRKAQSA-N 0 0 447.987 6.932 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000408995951 556709542 /nfs/dbraw/zinc/70/95/42/556709542.db2.gz FXRIIUMHQTYKOF-JLPGSUDCSA-N 0 0 426.516 5.280 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408999638 556710378 /nfs/dbraw/zinc/71/03/78/556710378.db2.gz RPJKJVVZGVNYKH-QGOAFFKASA-N 0 0 434.904 5.991 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409016921 556720171 /nfs/dbraw/zinc/72/01/71/556720171.db2.gz LSZXSBXTHHFTFD-UQQQWYQISA-N 0 0 439.511 5.451 40 10 IKCBRN COc1ccc(CN(Cc2cc(C)n(-c3ncccc3C)c2C)Cc2ccncc2)cc1 ZINC000019237888 556722699 /nfs/dbraw/zinc/72/26/99/556722699.db2.gz KFFWTPNOSQBZMC-UHFFFAOYSA-N 0 0 426.564 5.404 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409023495 556724655 /nfs/dbraw/zinc/72/46/55/556724655.db2.gz FMARNUMZOIHFOE-BUVRLJJBSA-N 0 0 446.572 6.118 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccccc1 ZINC000409030168 556728346 /nfs/dbraw/zinc/72/83/46/556728346.db2.gz COXPHEAADRNUJP-YBEGLDIGSA-N 0 0 445.391 5.596 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000033931599 556743167 /nfs/dbraw/zinc/74/31/67/556743167.db2.gz WUOPCOWHELYFCD-OOYUFVOFSA-N 0 0 425.945 5.167 40 10 IKCBRN CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21 ZINC000409041557 556749648 /nfs/dbraw/zinc/74/96/48/556749648.db2.gz WFTYTVNYTPMJTK-NTEUORMPSA-N 0 0 447.407 5.780 40 10 IKCBRN Cc1ccc(C)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1 ZINC000000924776 556752362 /nfs/dbraw/zinc/75/23/62/556752362.db2.gz IORRHVPNNOYXDI-UHFFFAOYSA-N 0 0 435.524 5.678 40 10 IKCBRN CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000000924743 556752389 /nfs/dbraw/zinc/75/23/89/556752389.db2.gz QOUIPTGVLVDQHJ-UHFFFAOYSA-N 0 0 433.533 5.321 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409051138 556753501 /nfs/dbraw/zinc/75/35/01/556753501.db2.gz ANDQTIQQQRCANB-JWGURIENSA-N 0 0 444.506 5.501 40 10 IKCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000929890 556755789 /nfs/dbraw/zinc/75/57/89/556755789.db2.gz AHGWGAOAUXFZOP-OAQYLSRUSA-N 0 0 443.572 5.613 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C(=O)O2)cc1C ZINC000409053504 556757686 /nfs/dbraw/zinc/75/76/86/556757686.db2.gz YXZWWERTGAIAKK-KOEQRZSOSA-N 0 0 432.519 7.017 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409054941 556758284 /nfs/dbraw/zinc/75/82/84/556758284.db2.gz OQUYRTBMCZACSK-HAHDFKILSA-N 0 0 444.506 5.419 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408762413 556758961 /nfs/dbraw/zinc/75/89/61/556758961.db2.gz KNQDYFPJDROSEV-LFVJCYFKSA-N 0 0 443.333 6.981 40 10 IKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409061120 556759411 /nfs/dbraw/zinc/75/94/11/556759411.db2.gz VPQFHKGHGDKAJR-OYKKKHCWSA-N 0 0 434.580 5.430 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409062682 556759698 /nfs/dbraw/zinc/75/96/98/556759698.db2.gz YWSUAZORNVLHGZ-JCMHNJIXSA-N 0 0 444.506 5.419 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccccc2C[C@@H]1C ZINC000001340016 556777792 /nfs/dbraw/zinc/77/77/92/556777792.db2.gz JONNIMXWOZUEJQ-KRWDZBQOSA-N 0 0 440.012 5.929 40 10 IKCBRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1)N1CCCC1 ZINC000001340001 556777807 /nfs/dbraw/zinc/77/78/07/556777807.db2.gz HSAIEOYFTRXTRE-UHFFFAOYSA-N 0 0 430.017 5.809 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000001340101 556777812 /nfs/dbraw/zinc/77/78/12/556777812.db2.gz DHUBGGCGZMGKIS-UHFFFAOYSA-N 0 0 443.956 5.319 40 10 IKCBRN CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2c(OCC)cccc12 ZINC000409076313 556779555 /nfs/dbraw/zinc/77/95/55/556779555.db2.gz AMKNFSDDLGNZHT-FPXKJXHESA-N 0 0 443.590 5.017 40 10 IKCBRN CCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409079206 556784494 /nfs/dbraw/zinc/78/44/94/556784494.db2.gz KMJZUHGZOKTNAZ-QNGOZBTKSA-N 0 0 446.934 5.972 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC ZINC000409080052 556788434 /nfs/dbraw/zinc/78/84/34/556788434.db2.gz KWSWOWVOAJHGJO-NKFKGCMQSA-N 0 0 426.516 5.709 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080463 556789441 /nfs/dbraw/zinc/78/94/41/556789441.db2.gz IAISSWPRCZURIA-DIBXZPPDSA-N 0 0 448.497 6.239 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000409082514 556789671 /nfs/dbraw/zinc/78/96/71/556789671.db2.gz JJOBLSORHCKHEJ-DZZSIBQASA-N 0 0 440.373 5.634 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084762 556790056 /nfs/dbraw/zinc/79/00/56/556790056.db2.gz XNMLNZYXKJGJIM-NHFJDJAPSA-N 0 0 430.507 6.100 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087452 556791189 /nfs/dbraw/zinc/79/11/89/556791189.db2.gz CPECXSGRPZIAKQ-XHPQRKPJSA-N 0 0 448.497 6.239 40 10 IKCBRN Cc1cccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1 ZINC000001994181 556798389 /nfs/dbraw/zinc/79/83/89/556798389.db2.gz OPOHFDAJXGDFNL-UHFFFAOYSA-O 0 0 426.392 7.359 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc21 ZINC000409110332 556800428 /nfs/dbraw/zinc/80/04/28/556800428.db2.gz BSPZKWGZLMTIKJ-JCMHNJIXSA-N 0 0 435.365 6.154 40 10 IKCBRN CCCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000006077831 556828463 /nfs/dbraw/zinc/82/84/63/556828463.db2.gz QDMAYSQAOKKLKK-LJQANCHMSA-N 0 0 437.754 6.296 40 10 IKCBRN O=[N+]([O-])c1cccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 ZINC000006444723 556836937 /nfs/dbraw/zinc/83/69/37/556836937.db2.gz YBSJBYCBSDKPCS-WPUDHWPRSA-N 0 0 449.348 6.252 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409131517 556842360 /nfs/dbraw/zinc/84/23/60/556842360.db2.gz JPVZTWXLRPRDPV-OEAKJJBVSA-N 0 0 436.621 6.636 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc1 ZINC000408772161 556847566 /nfs/dbraw/zinc/84/75/66/556847566.db2.gz DNXJTWSAKCAUMQ-CPNJWEJPSA-N 0 0 427.416 5.283 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000408773708 556848105 /nfs/dbraw/zinc/84/81/05/556848105.db2.gz IVLJPWMIMUZXBJ-DEDYPNTBSA-N 0 0 430.891 6.336 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccccc3)c21 ZINC000409135435 556848534 /nfs/dbraw/zinc/84/85/34/556848534.db2.gz QSLCPEQHBSSYGT-STZFKDTASA-N 0 0 436.602 5.100 40 10 IKCBRN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)C2=CCC=C[C@H]2C3=O)cc1C ZINC000068601175 556848737 /nfs/dbraw/zinc/84/87/37/556848737.db2.gz BPFNGJOREWNVEV-DNQXCXABSA-N 0 0 448.566 7.145 40 10 IKCBRN CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c2c(OCC)cccc12 ZINC000409137001 556850014 /nfs/dbraw/zinc/85/00/14/556850014.db2.gz VYKHVRDRNADMQK-QNGOZBTKSA-N 0 0 446.528 5.038 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccccc1 ZINC000008935188 556852755 /nfs/dbraw/zinc/85/27/55/556852755.db2.gz AGDPKLYVQLXSRM-KGENOOAVSA-N 0 0 437.973 6.325 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1 ZINC000008989937 556853323 /nfs/dbraw/zinc/85/33/23/556853323.db2.gz UZQWPZFEHFJPQY-ODLFYWEKSA-N 0 0 446.380 6.968 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 ZINC000408785575 556855835 /nfs/dbraw/zinc/85/58/35/556855835.db2.gz HOVNACXJZWTZTJ-GTWFGUSFSA-N 0 0 431.605 5.819 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408788748 556855936 /nfs/dbraw/zinc/85/59/36/556855936.db2.gz FWAIULYMOGRLBD-UKTHLTGXSA-N 0 0 440.685 5.663 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408795329 556856951 /nfs/dbraw/zinc/85/69/51/556856951.db2.gz BXCDMGLNJXWCNW-UHFFFAOYSA-N 0 0 426.924 5.650 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408804309 556860284 /nfs/dbraw/zinc/86/02/84/556860284.db2.gz XHQNOQWDACPYDO-UHFFFAOYSA-N 0 0 440.951 5.958 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408818325 556864522 /nfs/dbraw/zinc/86/45/22/556864522.db2.gz VDEVAWOQIBTBGB-UHFFFAOYSA-N 0 0 448.587 6.294 40 10 IKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccncc3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408820126 556866027 /nfs/dbraw/zinc/86/60/27/556866027.db2.gz UCZFSMFAFHZBQS-UHFFFAOYSA-N 0 0 441.556 5.064 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000408840475 556867288 /nfs/dbraw/zinc/86/72/88/556867288.db2.gz BZQYFWZAWRPBRZ-XSFVSMFZSA-N 0 0 433.851 5.091 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1 ZINC000408840995 556867445 /nfs/dbraw/zinc/86/74/45/556867445.db2.gz FAWZDJBNBACAHE-RCCKNPSSSA-N 0 0 442.971 7.006 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408841282 556867499 /nfs/dbraw/zinc/86/74/99/556867499.db2.gz FZCHMUGBEZNJQG-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408842666 556868057 /nfs/dbraw/zinc/86/80/57/556868057.db2.gz PLOFJCRQKDRPSG-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(C)cc2)cc1 ZINC000408845227 556868727 /nfs/dbraw/zinc/86/87/27/556868727.db2.gz VJDYOWUFVULTBD-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408846652 556869184 /nfs/dbraw/zinc/86/91/84/556869184.db2.gz YBJSUDJFHDCDTI-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408848679 556870167 /nfs/dbraw/zinc/87/01/67/556870167.db2.gz XRXFAQLQWMYEII-HYARGMPZSA-N 0 0 431.333 5.900 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2)cc1 ZINC000408848527 556870181 /nfs/dbraw/zinc/87/01/81/556870181.db2.gz XCNVWLBRQYDXOV-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN COc1cc([C@@H]2Nc3c(C)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000408860203 556872515 /nfs/dbraw/zinc/87/25/15/556872515.db2.gz WRHZLCVMXNXFTA-CKNLXJGOSA-N 0 0 434.761 6.255 40 10 IKCBRN COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408866755 556873648 /nfs/dbraw/zinc/87/36/48/556873648.db2.gz ISZSDSZCKIFITP-UHFFFAOYSA-N 0 0 448.931 5.097 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccccc3)c21 ZINC000409146352 556874634 /nfs/dbraw/zinc/87/46/34/556874634.db2.gz SLPTWKCWPRGNSJ-XKZIYDEJSA-N 0 0 434.630 6.109 40 10 IKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408871316 556874968 /nfs/dbraw/zinc/87/49/68/556874968.db2.gz ZDJGRDMRSCMBLH-UHFFFAOYSA-N 0 0 426.472 5.059 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000409152458 556878292 /nfs/dbraw/zinc/87/82/92/556878292.db2.gz JVRVHLMAEQRJGG-MPCDZSKCSA-N 0 0 438.423 8.112 40 10 IKCBRN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1c(Cl)cccc1Cl ZINC000408888152 556878737 /nfs/dbraw/zinc/87/87/37/556878737.db2.gz XIRUKTDAMISBQY-PXNMLYILSA-N 0 0 426.346 5.070 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409155362 556879079 /nfs/dbraw/zinc/87/90/79/556879079.db2.gz PPEBFERIVXVAPP-CPNJWEJPSA-N 0 0 445.382 5.532 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)ccc1Cl ZINC000409154630 556879105 /nfs/dbraw/zinc/87/91/05/556879105.db2.gz KNYZMOBCUYZKAV-AGKHESDQSA-N 0 0 429.225 6.747 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409156017 556879381 /nfs/dbraw/zinc/87/93/81/556879381.db2.gz KAJQTLBBVMPYOH-FXSPECFOSA-N 0 0 427.569 6.592 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408895881 556880985 /nfs/dbraw/zinc/88/09/85/556880985.db2.gz WFWULEICAMRUHY-WQRHYEAKSA-N 0 0 430.331 5.994 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408892698 556881401 /nfs/dbraw/zinc/88/14/01/556881401.db2.gz JBJOSBWRUPBFPJ-WJDWOHSUSA-N 0 0 436.722 5.914 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1sccc1C ZINC000408892654 556881407 /nfs/dbraw/zinc/88/14/07/556881407.db2.gz ITIPRBCEOVQDNX-WJDWOHSUSA-N 0 0 432.339 5.086 40 10 IKCBRN O=C1/C(=C\c2cccn2-c2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000408902065 556882051 /nfs/dbraw/zinc/88/20/51/556882051.db2.gz KEWYMUDKFGQQFJ-QGOAFFKASA-N 0 0 441.375 5.646 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C)c1 ZINC000408901975 556883139 /nfs/dbraw/zinc/88/31/39/556883139.db2.gz JMFSERDDWXNDBT-LPYMAVHISA-N 0 0 446.934 6.042 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000408902466 556885172 /nfs/dbraw/zinc/88/51/72/556885172.db2.gz ODDPIOZGDLFFTR-BUVRLJJBSA-N 0 0 436.471 5.404 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408902936 556885608 /nfs/dbraw/zinc/88/56/08/556885608.db2.gz SLGKDBNKZHWLGQ-USHMODERSA-N 0 0 431.539 6.567 40 10 IKCBRN COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 ZINC000408903537 556886087 /nfs/dbraw/zinc/88/60/87/556886087.db2.gz ZIPKERWAIVJULB-FYJGNVAPSA-N 0 0 447.922 5.340 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408935018 556895551 /nfs/dbraw/zinc/89/55/51/556895551.db2.gz BZMJAQMZFGKLOB-HYARGMPZSA-N 0 0 437.326 6.379 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc21 ZINC000408941207 556896600 /nfs/dbraw/zinc/89/66/00/556896600.db2.gz OXGUHPAVGCTMKI-OVVQPSECSA-N 0 0 446.550 6.842 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408940591 556896603 /nfs/dbraw/zinc/89/66/03/556896603.db2.gz OGSSSDSOEQYLEB-FYJGNVAPSA-N 0 0 437.326 6.379 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 ZINC000408943896 556897648 /nfs/dbraw/zinc/89/76/48/556897648.db2.gz SQYWHUJCKSCXAQ-HYARGMPZSA-N 0 0 444.918 5.669 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C ZINC000408959535 556899556 /nfs/dbraw/zinc/89/95/56/556899556.db2.gz APRVWQGLHWLGKG-UCQKPKSFSA-N 0 0 431.511 5.197 40 10 IKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Br)c(Cl)c1 ZINC000408966686 556901295 /nfs/dbraw/zinc/90/12/95/556901295.db2.gz NOIFSQFNZLAYCH-UHFFFAOYSA-N 0 0 425.551 6.631 40 10 IKCBRN COc1ccc(Oc2ccc(-n3c(C)ccc3-c3ccc(Br)cc3)cc2)cc1 ZINC000408968495 556904009 /nfs/dbraw/zinc/90/40/09/556904009.db2.gz ZRDAXADTTGOTNR-UHFFFAOYSA-N 0 0 434.333 7.016 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2F)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970132 556904253 /nfs/dbraw/zinc/90/42/53/556904253.db2.gz BHCKLDFDOBWVDL-RGEXLXHISA-N 0 0 440.396 5.753 40 10 IKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408977182 556906494 /nfs/dbraw/zinc/90/64/94/556906494.db2.gz VTBAIDKCANRADV-YDZHTSKRSA-N 0 0 443.909 6.288 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408976790 556906551 /nfs/dbraw/zinc/90/65/51/556906551.db2.gz SEBMQARSXNYYHG-MOSHPQCFSA-N 0 0 440.337 5.333 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408983857 556908277 /nfs/dbraw/zinc/90/82/77/556908277.db2.gz DOMUMHFJOBBHAM-XMHGGMMESA-N 0 0 436.338 6.863 40 10 IKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408985975 556909143 /nfs/dbraw/zinc/90/91/43/556909143.db2.gz OGMANVXVRFPSEO-XMHGGMMESA-N 0 0 435.354 6.531 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408986604 556909645 /nfs/dbraw/zinc/90/96/45/556909645.db2.gz REZLIIUWDACTQJ-XDJHFCHBSA-N 0 0 446.890 6.118 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408986261 556909711 /nfs/dbraw/zinc/90/97/11/556909711.db2.gz PGMPTOLNVQRCEG-CAPFRKAQSA-N 0 0 431.919 6.219 40 10 IKCBRN COC(=O)c1ccc(C)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408987319 556909783 /nfs/dbraw/zinc/90/97/83/556909783.db2.gz WIDLJOXLWNNNHK-KGENOOAVSA-N 0 0 429.903 5.906 40 10 IKCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408986922 556909880 /nfs/dbraw/zinc/90/98/80/556909880.db2.gz SSJBYHPOHAXGNY-CPNJWEJPSA-N 0 0 449.337 6.423 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408987792 556910310 /nfs/dbraw/zinc/91/03/10/556910310.db2.gz YGGABUOBGQDXHO-XDJHFCHBSA-N 0 0 436.338 6.863 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408984532 556910809 /nfs/dbraw/zinc/91/08/09/556910809.db2.gz HYIAEZVAEXVKTI-XMHGGMMESA-N 0 0 446.890 6.118 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 ZINC000408997661 556912659 /nfs/dbraw/zinc/91/26/59/556912659.db2.gz SGDHUUALHAXHQM-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408998792 556913527 /nfs/dbraw/zinc/91/35/27/556913527.db2.gz CEHXYBXVLQQRGI-DTOCWJLUSA-N 0 0 444.535 6.382 40 10 IKCBRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408999260 556913595 /nfs/dbraw/zinc/91/35/95/556913595.db2.gz QJOPKNSXRPLCFK-XHWLHZJSSA-N 0 0 430.508 5.992 40 10 IKCBRN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408998797 556913650 /nfs/dbraw/zinc/91/36/50/556913650.db2.gz CEHXYBXVLQQRGI-YWXXVPTNSA-N 0 0 444.535 6.382 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)SC1=S ZINC000409008057 556916792 /nfs/dbraw/zinc/91/67/92/556916792.db2.gz VKJGCYUPPOPASL-HMAPJEAMSA-N 0 0 435.570 5.649 40 10 IKCBRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409004179 556917311 /nfs/dbraw/zinc/91/73/11/556917311.db2.gz WVKNXSFGSPBFAN-WVWNOFHPSA-N 0 0 448.526 6.602 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(C)C)c2C)C1=O ZINC000409009649 556917432 /nfs/dbraw/zinc/91/74/32/556917432.db2.gz AZVMKDLCSZRHNP-RSZPVBOMSA-N 0 0 440.565 5.205 40 10 IKCBRN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409012241 556918394 /nfs/dbraw/zinc/91/83/94/556918394.db2.gz KARSCVUNOMKYMU-FHHIAAGZSA-N 0 0 442.968 5.081 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000409017697 556919599 /nfs/dbraw/zinc/91/95/99/556919599.db2.gz GPGMZIOXLCAKJF-YVLHZVERSA-N 0 0 446.728 5.288 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409017042 556921649 /nfs/dbraw/zinc/92/16/49/556921649.db2.gz DNFCIWDWZYATIX-UQQQWYQISA-N 0 0 439.511 5.451 40 10 IKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409021955 556922543 /nfs/dbraw/zinc/92/25/43/556922543.db2.gz AXABSVHAHDSJHV-UKWGHVSLSA-N 0 0 430.331 5.994 40 10 IKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000409022462 556922740 /nfs/dbraw/zinc/92/27/40/556922740.db2.gz OVDPVFUAWBQPOU-FBHDLOMBSA-N 0 0 438.310 6.024 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000409023099 556923190 /nfs/dbraw/zinc/92/31/90/556923190.db2.gz DGJIPARIINVWAU-MOSHPQCFSA-N 0 0 433.891 5.379 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000409023233 556923302 /nfs/dbraw/zinc/92/33/02/556923302.db2.gz VQSUWICEPBEJOS-BKUYFWCQSA-N 0 0 437.417 5.736 40 10 IKCBRN CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)S1 ZINC000409025296 556925845 /nfs/dbraw/zinc/92/58/45/556925845.db2.gz PJDVEEVGTWESJO-MTJSOVHGSA-N 0 0 436.920 5.179 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000409030451 556926967 /nfs/dbraw/zinc/92/69/67/556926967.db2.gz DLRGNWXOBXGAGI-MDWZMJQESA-N 0 0 436.311 5.587 40 10 IKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409056846 556934427 /nfs/dbraw/zinc/93/44/27/556934427.db2.gz OMLWNTIEJHVHIK-JAIQZWGSSA-N 0 0 426.944 5.137 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409057910 556934978 /nfs/dbraw/zinc/93/49/78/556934978.db2.gz LSLJSWFYUWSDML-XYGWBWBKSA-N 0 0 440.543 5.588 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)ccc1OCc1ccccc1 ZINC000409054359 556938092 /nfs/dbraw/zinc/93/80/92/556938092.db2.gz VDGOAIBTWCKARG-HZHRSRAPSA-N 0 0 426.512 6.262 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)ccc1OCc1ccccc1 ZINC000409054165 556938116 /nfs/dbraw/zinc/93/81/16/556938116.db2.gz SFICWRLAYKBQEM-BUVRLJJBSA-N 0 0 426.512 6.262 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409065083 556941143 /nfs/dbraw/zinc/94/11/43/556941143.db2.gz GANQCASCQHQJNM-OEAKJJBVSA-N 0 0 441.918 5.998 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409076323 556944035 /nfs/dbraw/zinc/94/40/35/556944035.db2.gz ANYULCDGFLFTPF-MOSHPQCFSA-N 0 0 444.403 5.101 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1 ZINC000409070507 556944998 /nfs/dbraw/zinc/94/49/98/556944998.db2.gz YRSASBKZVNGMRI-AQRZYSDFSA-N 0 0 440.565 5.035 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409071396 556945725 /nfs/dbraw/zinc/94/57/25/556945725.db2.gz RCDIUNMZAYIMFQ-RGVLZGJSSA-N 0 0 440.330 5.807 40 10 IKCBRN CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409081044 556947476 /nfs/dbraw/zinc/94/74/76/556947476.db2.gz FWPPYQDBYLWADO-ZHZULCJRSA-N 0 0 437.326 6.227 40 10 IKCBRN O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084576 556948439 /nfs/dbraw/zinc/94/84/39/556948439.db2.gz WVOLNXRIUHRGPE-BRLDDBHUSA-N 0 0 445.993 5.299 40 10 IKCBRN CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409132434 556963837 /nfs/dbraw/zinc/96/38/37/556963837.db2.gz OMFCYLCBQIRRES-WQRHYEAKSA-N 0 0 433.371 5.611 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409138672 556970680 /nfs/dbraw/zinc/97/06/80/556970680.db2.gz GIFQTACZTWPMGQ-GRSHGNNSSA-N 0 0 447.398 5.857 40 10 IKCBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1 ZINC000409147616 556973340 /nfs/dbraw/zinc/97/33/40/556973340.db2.gz MZZSRKFTVTYASL-XIEYBQDHSA-N 0 0 444.600 6.326 40 10 IKCBRN Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000409150335 556974834 /nfs/dbraw/zinc/97/48/34/556974834.db2.gz BDQQUFBMCSMPRS-OHUGHZGNSA-N 0 0 438.423 8.112 40 10 IKCBRN O=C1[C@@H](Cc2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000409144872 556976254 /nfs/dbraw/zinc/97/62/54/556976254.db2.gz QIVPRWMESCXWKO-HXUWFJFHSA-N 0 0 443.977 5.484 40 10 IKCBRN Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409162147 556977140 /nfs/dbraw/zinc/97/71/40/556977140.db2.gz RXHUYZZSKYRHIJ-OAQYLSRUSA-N 0 0 426.383 5.862 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000409157961 556977403 /nfs/dbraw/zinc/97/74/03/556977403.db2.gz 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ZINC000409199662 557013253 /nfs/dbraw/zinc/01/32/53/557013253.db2.gz CNBSDVFSZBJZEZ-WOJGMQOQSA-N 0 0 448.491 5.921 40 10 IKCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000006144599 557013490 /nfs/dbraw/zinc/01/34/90/557013490.db2.gz WVDIMIVWIGYONS-XLNZFTOWSA-N 0 0 441.402 6.836 40 10 IKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409201895 557014619 /nfs/dbraw/zinc/01/46/19/557014619.db2.gz QYBFFKALKBWHMS-JJIBRWJFSA-N 0 0 438.958 7.275 40 10 IKCBRN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 ZINC000409204311 557015511 /nfs/dbraw/zinc/01/55/11/557015511.db2.gz FCDUELVYYFKYDK-YBFXNURJSA-N 0 0 444.965 5.564 40 10 IKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409240068 557021229 /nfs/dbraw/zinc/02/12/29/557021229.db2.gz PLASVLUWYKCQKA-PCLIKHOPSA-N 0 0 435.527 5.399 40 10 IKCBRN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409240396 557021634 /nfs/dbraw/zinc/02/16/34/557021634.db2.gz KGLLQVLSKIMINT-ZDLGFXPLSA-N 0 0 439.364 5.474 40 10 IKCBRN COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 ZINC000409210923 557022915 /nfs/dbraw/zinc/02/29/15/557022915.db2.gz MGOHOXYHIYRQIQ-NHDPSOOVSA-N 0 0 438.936 5.997 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000409231840 557023447 /nfs/dbraw/zinc/02/34/47/557023447.db2.gz KYVJHQSPNQTHRQ-KOEQRZSOSA-N 0 0 442.563 5.033 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409235072 557026311 /nfs/dbraw/zinc/02/63/11/557026311.db2.gz ADPRMGIIVFFKCY-MFKUBSTISA-N 0 0 436.515 5.044 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1 ZINC000409214136 557027370 /nfs/dbraw/zinc/02/73/70/557027370.db2.gz WOBKDTLNQIQCQK-NDENLUEZSA-N 0 0 436.514 5.877 40 10 IKCBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409213834 557027762 /nfs/dbraw/zinc/02/77/62/557027762.db2.gz VJBFBNPLBKSFOE-YRIIZNAFSA-N 0 0 446.956 5.126 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409246323 557027912 /nfs/dbraw/zinc/02/79/12/557027912.db2.gz BALOUWJGCBTFDU-HZHRSRAPSA-N 0 0 447.966 6.142 40 10 IKCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409247733 557028871 /nfs/dbraw/zinc/02/88/71/557028871.db2.gz NJJGBVCGRKZRFO-KGENOOAVSA-N 0 0 426.969 5.875 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409215845 557030148 /nfs/dbraw/zinc/03/01/48/557030148.db2.gz BQDHMYYFHZYKBN-WSDLNYQXSA-N 0 0 436.964 6.605 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000408536405 557032713 /nfs/dbraw/zinc/03/27/13/557032713.db2.gz ZHHXBOHBMCPBEX-UYRXBGFRSA-N 0 0 442.650 5.943 40 10 IKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=S ZINC000408536494 557032742 /nfs/dbraw/zinc/03/27/42/557032742.db2.gz ZWIXEJQNHGWPBA-JCMHNJIXSA-N 0 0 449.622 6.561 40 10 IKCBRN CCCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 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CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000409327056 557111080 /nfs/dbraw/zinc/11/10/80/557111080.db2.gz HEOMAFYJOQNMDO-RCCKNPSSSA-N 0 0 427.591 5.666 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(C)=O ZINC000409328590 557111180 /nfs/dbraw/zinc/11/11/80/557111180.db2.gz YCGZNGSTAKWHRD-YBFXNURJSA-N 0 0 445.587 5.138 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)SC2=S)cc1Cl ZINC000409327600 557111197 /nfs/dbraw/zinc/11/11/97/557111197.db2.gz LFXCXAAUWRLSEP-UDWIEESQSA-N 0 0 441.961 5.916 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000409327601 557111201 /nfs/dbraw/zinc/11/12/01/557111201.db2.gz LGVHBJSKZGPYKQ-UNOMPAQXSA-N 0 0 433.982 5.933 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)CC ZINC000409328929 557111495 /nfs/dbraw/zinc/11/14/95/557111495.db2.gz AONMCJQRNGHXTH-VVRYKASASA-N 0 0 441.618 6.285 40 10 IKCBRN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409328018 557111544 /nfs/dbraw/zinc/11/15/44/557111544.db2.gz PCOZSODCXNHDJQ-VGOFMYFVSA-N 0 0 434.291 6.418 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)CC ZINC000409329525 557111695 /nfs/dbraw/zinc/11/16/95/557111695.db2.gz FERINZOLFSOAMD-GQFJFNLSSA-N 0 0 448.009 6.322 40 10 IKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S ZINC000409329514 557111780 /nfs/dbraw/zinc/11/17/80/557111780.db2.gz DYBLEKDGLJWQGH-AQTBWJFISA-N 0 0 425.556 5.845 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c1 ZINC000409329583 557111795 /nfs/dbraw/zinc/11/17/95/557111795.db2.gz GHXOQHIVBMHWTG-NDENLUEZSA-N 0 0 436.514 5.877 40 10 IKCBRN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)cc1 ZINC000409329736 557112198 /nfs/dbraw/zinc/11/21/98/557112198.db2.gz HWJYSLBMXNMUHF-BKUYFWCQSA-N 0 0 435.526 5.564 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(C)C ZINC000409330636 557112379 /nfs/dbraw/zinc/11/23/79/557112379.db2.gz LEGAFBXQZKARFE-FYJGNVAPSA-N 0 0 427.591 5.834 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(C)C ZINC000409331722 557113030 /nfs/dbraw/zinc/11/30/30/557113030.db2.gz PDQYOPSSWJSCJQ-BKUYFWCQSA-N 0 0 443.590 5.535 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC ZINC000409333797 557113335 /nfs/dbraw/zinc/11/33/35/557113335.db2.gz WESRTENDZYPYMJ-GDNBJRDFSA-N 0 0 442.400 5.000 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409332802 557113369 /nfs/dbraw/zinc/11/33/69/557113369.db2.gz RIDMEOYKOAEIFK-VGOFMYFVSA-N 0 0 428.735 5.647 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409335706 557113632 /nfs/dbraw/zinc/11/36/32/557113632.db2.gz YVFHVAYGELXFIO-WSDLNYQXSA-N 0 0 447.537 5.400 40 10 IKCBRN CCOC(=O)c1ccc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)cc1 ZINC000409336842 557114674 /nfs/dbraw/zinc/11/46/74/557114674.db2.gz WKLNWGQFOOBPFM-QFIPXVFZSA-N 0 0 443.459 5.227 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1O ZINC000409338099 557115366 /nfs/dbraw/zinc/11/53/66/557115366.db2.gz DARRRDBLUSTJLO-WOJGMQOQSA-N 0 0 427.934 5.613 40 10 IKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409338289 557115562 /nfs/dbraw/zinc/11/55/62/557115562.db2.gz HIUVEAATYGZSQN-PDGQHHTCSA-N 0 0 448.407 5.952 40 10 IKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc12 ZINC000409340588 557118940 /nfs/dbraw/zinc/11/89/40/557118940.db2.gz ZSPRKHGRXNITFW-GRSHGNNSSA-N 0 0 446.380 6.561 40 10 IKCBRN O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001168364 557119621 /nfs/dbraw/zinc/11/96/21/557119621.db2.gz ODNFXBYEPPCGEM-OQLLNIDSSA-N 0 0 431.231 5.349 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(F)F ZINC000409341608 557120584 /nfs/dbraw/zinc/12/05/84/557120584.db2.gz FQWLLXUDAANUOS-WQRHYEAKSA-N 0 0 435.517 5.709 40 10 IKCBRN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409344220 557124245 /nfs/dbraw/zinc/12/42/45/557124245.db2.gz IFUAYNLRWWQJDP-VGOFMYFVSA-N 0 0 434.291 6.418 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1 ZINC000409345440 557126392 /nfs/dbraw/zinc/12/63/92/557126392.db2.gz IKLTUKDSKZNVKI-MOSHPQCFSA-N 0 0 429.563 5.287 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409346847 557127154 /nfs/dbraw/zinc/12/71/54/557127154.db2.gz OJFGLNYMZWKBOT-FDIDITGRSA-N 0 0 446.981 5.064 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409347341 557128024 /nfs/dbraw/zinc/12/80/24/557128024.db2.gz LWTJURSJWKYMCP-PFRBSUFTSA-N 0 0 449.597 6.432 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409347397 557128052 /nfs/dbraw/zinc/12/80/52/557128052.db2.gz PWJARTDEMAWJPU-VBEHJTROSA-N 0 0 437.508 6.289 40 10 IKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409348192 557128132 /nfs/dbraw/zinc/12/81/32/557128132.db2.gz RXVSQPZPJMMBLV-UNOMPAQXSA-N 0 0 431.604 5.612 40 10 IKCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408706673 557128854 /nfs/dbraw/zinc/12/88/54/557128854.db2.gz CCPCMLGVXFMYCD-MRXNPFEDSA-N 0 0 442.346 5.393 40 10 IKCBRN O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1C1CCCCC1 ZINC000409351282 557129547 /nfs/dbraw/zinc/12/95/47/557129547.db2.gz TUMHUZZGTDATLI-YBEGLDIGSA-N 0 0 449.960 5.595 40 10 IKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000409350537 557129594 /nfs/dbraw/zinc/12/95/94/557129594.db2.gz RWNCKNCOTOIOMT-CXUHLZMHSA-N 0 0 438.343 5.393 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C ZINC000409352014 557129940 /nfs/dbraw/zinc/12/99/40/557129940.db2.gz VNWGVZBAPBBBPQ-BKUYFWCQSA-N 0 0 427.591 5.895 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)SC2=S)cc1 ZINC000409352232 557130085 /nfs/dbraw/zinc/13/00/85/557130085.db2.gz WUHAJDIXCOBKIH-CAOOACKPSA-N 0 0 445.363 5.345 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Cl)C2=O)cc1 ZINC000408719264 557133271 /nfs/dbraw/zinc/13/32/71/557133271.db2.gz KLCKPVZXAFKONQ-QGOAFFKASA-N 0 0 430.982 5.228 40 10 IKCBRN Cc1ccc(C)c(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 ZINC000408722430 557136353 /nfs/dbraw/zinc/13/63/53/557136353.db2.gz UDAMHIVJUFCYEK-LICLKQGHSA-N 0 0 433.396 5.337 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000409354971 557136602 /nfs/dbraw/zinc/13/66/02/557136602.db2.gz BKPBBOVNKLGYAM-UCQKPKSFSA-N 0 0 443.597 5.645 40 10 IKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000409367464 557137942 /nfs/dbraw/zinc/13/79/42/557137942.db2.gz ALBJXEDGHYXGKU-VGOFMYFVSA-N 0 0 442.324 5.070 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1c(Cl)cccc1Cl ZINC000409367074 557137980 /nfs/dbraw/zinc/13/79/80/557137980.db2.gz DBTQMKPNWBRFBP-BOPFTXTBSA-N 0 0 430.287 5.073 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000409367126 557137998 /nfs/dbraw/zinc/13/79/98/557137998.db2.gz GBHADYAYYYKRNK-MFOYZWKCSA-N 0 0 434.344 5.593 40 10 IKCBRN CCN1C(=O)C(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)SC1=S ZINC000408726093 557138526 /nfs/dbraw/zinc/13/85/26/557138526.db2.gz RZHBLUCVNNYSCX-HTQCFTEPSA-N 0 0 438.361 6.336 40 10 IKCBRN CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000409376677 557138918 /nfs/dbraw/zinc/13/89/18/557138918.db2.gz CNQZELRFTDLLLD-NDENLUEZSA-N 0 0 426.994 5.873 40 10 IKCBRN O=C(Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)c1ccccc1 ZINC000103754865 557140042 /nfs/dbraw/zinc/14/00/42/557140042.db2.gz BAISRNDXBKFWNI-LHLOQNFPSA-N 0 0 444.490 5.740 40 10 IKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl ZINC000103918817 557140344 /nfs/dbraw/zinc/14/03/44/557140344.db2.gz ABLMBINTRCGRRY-UNOMPAQXSA-N 0 0 445.375 6.492 40 10 IKCBRN CC(Nc1cccc(Br)c1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103917112 557140624 /nfs/dbraw/zinc/14/06/24/557140624.db2.gz POQVKOFFDLOTHS-BOPFTXTBSA-N 0 0 427.327 5.167 40 10 IKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000408735521 557142681 /nfs/dbraw/zinc/14/26/81/557142681.db2.gz UGNVOCGGEMOZHE-UHFFFAOYSA-N 0 0 428.355 5.851 40 10 IKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c5ccccc5ccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736134 557143964 /nfs/dbraw/zinc/14/39/64/557143964.db2.gz HGUQKTORSOBARQ-PBWSGDRGSA-N 0 0 448.522 7.154 40 10 IKCBRN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)ccc1Cl ZINC000408737645 557145104 /nfs/dbraw/zinc/14/51/04/557145104.db2.gz FQWVANBGZIVNDZ-XMHGGMMESA-N 0 0 445.902 5.607 40 10 IKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000408738467 557145450 /nfs/dbraw/zinc/14/54/50/557145450.db2.gz XXDKWUZCUXUIHE-RCCKNPSSSA-N 0 0 429.903 5.988 40 10 IKCBRN CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)c2ccc(F)cc2)cc1 ZINC000006135997 557145604 /nfs/dbraw/zinc/14/56/04/557145604.db2.gz TWIQUWWAAPTXNZ-HHHXNRCGSA-N 0 0 437.518 6.036 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408738512 557145798 /nfs/dbraw/zinc/14/57/98/557145798.db2.gz LFSUQUJTBYHLHO-XSFVSMFZSA-N 0 0 446.344 6.237 40 10 IKCBRN Cc1cc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)ccc1F ZINC000408738604 557147687 /nfs/dbraw/zinc/14/76/87/557147687.db2.gz MIRISNJHEKFSKH-XMHGGMMESA-N 0 0 434.308 6.368 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 ZINC000408739012 557148490 /nfs/dbraw/zinc/14/84/90/557148490.db2.gz RGVSSNDNASWMEQ-XDJHFCHBSA-N 0 0 432.317 5.929 40 10 IKCBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408740577 557149114 /nfs/dbraw/zinc/14/91/14/557149114.db2.gz HCBULFQPRIVKJO-YZSQISJMSA-N 0 0 447.563 5.531 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000408741275 557149337 /nfs/dbraw/zinc/14/93/37/557149337.db2.gz HXLUVLPXXSWRGM-RQZCQDPDSA-N 0 0 443.293 5.063 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)O2)cc1 ZINC000408741535 557149651 /nfs/dbraw/zinc/14/96/51/557149651.db2.gz JKSLNVAIUVLMJG-HYARGMPZSA-N 0 0 428.484 5.573 40 10 IKCBRN COc1ccc(C2=C/C(=C/c3cc(Br)cc(Cl)c3OC(C)=O)C(=O)O2)cc1 ZINC000408741846 557149704 /nfs/dbraw/zinc/14/97/04/557149704.db2.gz LLJGPFZTCOFCID-AUWJEWJLSA-N 0 0 449.684 5.018 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000408742040 557150099 /nfs/dbraw/zinc/15/00/99/557150099.db2.gz MPQGLMJOENKGLD-FYJGNVAPSA-N 0 0 432.903 6.217 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000408742128 557150135 /nfs/dbraw/zinc/15/01/35/557150135.db2.gz NFGNJEBTWNQZIK-MDWZMJQESA-N 0 0 436.099 5.202 40 10 IKCBRN COc1cc(Br)cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c1OC(C)=O ZINC000408742261 557150422 /nfs/dbraw/zinc/15/04/22/557150422.db2.gz OARQYEJAHFCHRJ-AUWJEWJLSA-N 0 0 449.684 5.018 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)O2)cc1 ZINC000408742350 557150432 /nfs/dbraw/zinc/15/04/32/557150432.db2.gz OLSWTZSTANCUSN-UDWIEESQSA-N 0 0 437.322 6.862 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(F)c1 ZINC000408743738 557151158 /nfs/dbraw/zinc/15/11/58/557151158.db2.gz UTRKFOOFIKPDIQ-YBFXNURJSA-N 0 0 436.866 6.048 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 ZINC000106696088 557156347 /nfs/dbraw/zinc/15/63/47/557156347.db2.gz PCNOLRBUYXHELT-XKZIYDEJSA-N 0 0 436.508 5.478 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000106702602 557158007 /nfs/dbraw/zinc/15/80/07/557158007.db2.gz HWSABIYGMULWSG-XKZIYDEJSA-N 0 0 447.516 5.547 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000408751582 557160076 /nfs/dbraw/zinc/16/00/76/557160076.db2.gz ABBQCMSXURVIJU-FYJGNVAPSA-N 0 0 436.870 5.331 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000408752029 557160380 /nfs/dbraw/zinc/16/03/80/557160380.db2.gz BIDYMINTZYRFHX-HYARGMPZSA-N 0 0 432.907 5.500 40 10 IKCBRN O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106741783 557160588 /nfs/dbraw/zinc/16/05/88/557160588.db2.gz ABLRENIVCZJZAI-MOSHPQCFSA-N 0 0 430.932 5.706 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408752618 557160634 /nfs/dbraw/zinc/16/06/34/557160634.db2.gz FITGFMZMLKTZIX-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408752675 557161065 /nfs/dbraw/zinc/16/10/65/557161065.db2.gz FYWQAIFOOYDWMM-HYARGMPZSA-N 0 0 432.907 5.500 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408753087 557163938 /nfs/dbraw/zinc/16/39/38/557163938.db2.gz HSHRHGZTLZNAND-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 ZINC000408753309 557164302 /nfs/dbraw/zinc/16/43/02/557164302.db2.gz GGNRNFCAKUOMJF-PXLXIMEGSA-N 0 0 447.878 5.481 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1cccc(Br)c1 ZINC000408753500 557164581 /nfs/dbraw/zinc/16/45/81/557164581.db2.gz JFOFFBQCCAQHBR-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)c1 ZINC000408753813 557164909 /nfs/dbraw/zinc/16/49/09/557164909.db2.gz OCYVLMJVXVDGPL-XSFVSMFZSA-N 0 0 446.934 6.837 40 10 IKCBRN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408753636 557165005 /nfs/dbraw/zinc/16/50/05/557165005.db2.gz GYVAOQHDFCKDFL-HKWRFOASSA-N 0 0 445.902 5.607 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408753712 557165020 /nfs/dbraw/zinc/16/50/20/557165020.db2.gz BRNCUKSYXXTIGR-HAVVHWLPSA-N 0 0 440.587 6.439 40 10 IKCBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000408755966 557165201 /nfs/dbraw/zinc/16/52/01/557165201.db2.gz GNXUEFPLQUFRLT-BUVRLJJBSA-N 0 0 440.934 6.102 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408754267 557165658 /nfs/dbraw/zinc/16/56/58/557165658.db2.gz JTOUQKZWPZDSJC-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408754406 557165879 /nfs/dbraw/zinc/16/58/79/557165879.db2.gz KHABXMHCVQKKKU-XIEYBQDHSA-N 0 0 426.516 5.627 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408754655 557166573 /nfs/dbraw/zinc/16/65/73/557166573.db2.gz OFZBMCIEQNXDMM-FYJGNVAPSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408755344 557167758 /nfs/dbraw/zinc/16/77/58/557167758.db2.gz KMHBPHAZUULENP-RGVLZGJSSA-N 0 0 429.253 6.106 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408755383 557167830 /nfs/dbraw/zinc/16/78/30/557167830.db2.gz UMZMTDBHFNAPBY-JJFYIABZSA-N 0 0 433.964 5.135 40 10 IKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)O2)cc1 ZINC000408756180 557168320 /nfs/dbraw/zinc/16/83/20/557168320.db2.gz ODHQBXCXRCYZNR-JWGURIENSA-N 0 0 428.532 5.540 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408757132 557169431 /nfs/dbraw/zinc/16/94/31/557169431.db2.gz XHIXWSQAOXWJNY-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408756908 557169481 /nfs/dbraw/zinc/16/94/81/557169481.db2.gz VDNFTUVSZUHULO-XIEYBQDHSA-N 0 0 425.532 5.294 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408758028 557170998 /nfs/dbraw/zinc/17/09/98/557170998.db2.gz FVFJLHGZLFMQKW-KGENOOAVSA-N 0 0 433.305 5.292 40 10 IKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)N=C1C ZINC000408758193 557171561 /nfs/dbraw/zinc/17/15/61/557171561.db2.gz WRUSZNPNGXJMMU-YDZHTSKRSA-N 0 0 432.955 5.874 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408758660 557172841 /nfs/dbraw/zinc/17/28/41/557172841.db2.gz ORLTXKMIYJAPIK-XSFVSMFZSA-N 0 0 446.934 6.837 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000408760858 557174555 /nfs/dbraw/zinc/17/45/55/557174555.db2.gz GNINNHFBWCRQEP-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2F)cc1 ZINC000408762364 557176655 /nfs/dbraw/zinc/17/66/55/557176655.db2.gz OHBJAOKSOULITP-NLRVBDNBSA-N 0 0 436.486 6.212 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408762200 557176662 /nfs/dbraw/zinc/17/66/62/557176662.db2.gz AEBDELKEGBZZMF-RGVLZGJSSA-N 0 0 445.708 6.620 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408762270 557176666 /nfs/dbraw/zinc/17/66/66/557176666.db2.gz DKWJYKKJPXCZIS-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2F)cc1 ZINC000408762602 557176872 /nfs/dbraw/zinc/17/68/72/557176872.db2.gz FGMVRTJRGBSRFK-PXLXIMEGSA-N 0 0 446.478 5.076 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408763406 557178670 /nfs/dbraw/zinc/17/86/70/557178670.db2.gz NYVDAEAUGBQSOJ-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2cccc(Br)c2)C1=O ZINC000408764000 557182020 /nfs/dbraw/zinc/18/20/20/557182020.db2.gz VLEIGBUTFGRHHY-KGENOOAVSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)c1 ZINC000408764595 557182388 /nfs/dbraw/zinc/18/23/88/557182388.db2.gz UWXSMWDRUFIWQK-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)c1 ZINC000408764867 557182737 /nfs/dbraw/zinc/18/27/37/557182737.db2.gz NNCCCPQDURXNRQ-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1I)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218217162 557182762 /nfs/dbraw/zinc/18/27/62/557182762.db2.gz RBSSAUXJOJLJQJ-CVEARBPZSA-N 0 0 448.348 5.019 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2Cl)cc1 ZINC000408764879 557182822 /nfs/dbraw/zinc/18/28/22/557182822.db2.gz NOFOGGUTSLHJFN-HYARGMPZSA-N 0 0 448.906 5.200 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2cccc(C)c2)cc1 ZINC000408763341 557183116 /nfs/dbraw/zinc/18/31/16/557183116.db2.gz SDOLDXVGYCGIOB-LPYMAVHISA-N 0 0 437.326 6.145 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408765086 557184704 /nfs/dbraw/zinc/18/47/04/557184704.db2.gz ZGLOPHPMOJHUOX-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408766004 557188667 /nfs/dbraw/zinc/18/86/67/557188667.db2.gz YKKCPATYOKOYOP-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408766470 557188689 /nfs/dbraw/zinc/18/86/89/557188689.db2.gz RCNCARCJGGWDNJ-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 ZINC000408771494 557195880 /nfs/dbraw/zinc/19/58/80/557195880.db2.gz HJRJCQQCFOBTIS-MFUBYVTQSA-N 0 0 437.996 5.910 40 10 IKCBRN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408775309 557198018 /nfs/dbraw/zinc/19/80/18/557198018.db2.gz SDBCVLOVBMLDML-RCCKNPSSSA-N 0 0 440.455 5.161 40 10 IKCBRN COc1ccc(/C=C(/C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000010113089 557205557 /nfs/dbraw/zinc/20/55/57/557205557.db2.gz CYFXKIPGSUVOND-NHFJDJAPSA-N 0 0 426.560 5.543 40 10 IKCBRN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000010113311 557205844 /nfs/dbraw/zinc/20/58/44/557205844.db2.gz NYGQYWRVEOCLJB-UHFFFAOYSA-N 0 0 432.589 5.054 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000110422617 557209264 /nfs/dbraw/zinc/20/92/64/557209264.db2.gz LPUOYPAABZNNQW-ZTJKHUJPSA-N 0 0 438.618 5.082 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218607247 557210074 /nfs/dbraw/zinc/21/00/74/557210074.db2.gz GPKBNMQQYQMYNZ-QFIPXVFZSA-N 0 0 444.644 6.706 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408795673 557212790 /nfs/dbraw/zinc/21/27/90/557212790.db2.gz MSYYJYSOINCPFQ-RGEXLXHISA-N 0 0 445.437 5.371 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl ZINC000218713523 557213193 /nfs/dbraw/zinc/21/31/93/557213193.db2.gz OIYLJGYKYMYUBH-WOJBJXKFSA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl ZINC000218713869 557213232 /nfs/dbraw/zinc/21/32/32/557213232.db2.gz DZEORQJEVMHSHC-NSISKUIASA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br ZINC000218828660 557217710 /nfs/dbraw/zinc/21/77/10/557217710.db2.gz DEMPXIJIZANHER-SFHVURJKSA-N 0 0 445.401 5.250 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218987453 557222212 /nfs/dbraw/zinc/22/22/12/557222212.db2.gz VHEZPBDSNIILKQ-QFIPXVFZSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219005612 557222912 /nfs/dbraw/zinc/22/29/12/557222912.db2.gz SZBCCSDCYSXXHX-PKTZIBPZSA-N 0 0 426.604 6.199 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219005536 557222935 /nfs/dbraw/zinc/22/29/35/557222935.db2.gz SZBCCSDCYSXXHX-DHIUTWEWSA-N 0 0 426.604 6.199 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219005347 557222938 /nfs/dbraw/zinc/22/29/38/557222938.db2.gz LNWXAQKICGCUKN-HSZRJFAPSA-N 0 0 426.604 6.199 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408816720 557230103 /nfs/dbraw/zinc/23/01/03/557230103.db2.gz ZDFLPTACZURJFZ-UHFFFAOYSA-N 0 0 436.988 6.127 40 10 IKCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219338434 557237935 /nfs/dbraw/zinc/23/79/35/557237935.db2.gz FJFNSMZFRYZMRJ-QFQXNSOFSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219338743 557238075 /nfs/dbraw/zinc/23/80/75/557238075.db2.gz JQOKOQILDZDYOK-IPVFLDMMSA-N 0 0 430.592 6.111 40 10 IKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 ZINC000112291584 557238961 /nfs/dbraw/zinc/23/89/61/557238961.db2.gz YETWIHABCWPYJI-UYRXBGFRSA-N 0 0 443.301 5.246 40 10 IKCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219386672 557239624 /nfs/dbraw/zinc/23/96/24/557239624.db2.gz ZKVUVGFHBOMNMB-PMAPCBKXSA-N 0 0 431.045 6.324 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000040867488 557240742 /nfs/dbraw/zinc/24/07/42/557240742.db2.gz XHGWFUNSIRPMRZ-AQTBWJFISA-N 0 0 446.981 5.065 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408840973 557262202 /nfs/dbraw/zinc/26/22/02/557262202.db2.gz GYVCZODMNZHRNJ-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219688601 557262352 /nfs/dbraw/zinc/26/23/52/557262352.db2.gz YDXCGXIPHYGFRX-SQNIBIBYSA-N 0 0 445.401 5.330 40 10 IKCBRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219688185 557262372 /nfs/dbraw/zinc/26/23/72/557262372.db2.gz KVDQUWPIFUEWLM-MSOLQXFVSA-N 0 0 445.401 5.330 40 10 IKCBRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219688365 557262457 /nfs/dbraw/zinc/26/24/57/557262457.db2.gz YDXCGXIPHYGFRX-KZNAEPCWSA-N 0 0 445.401 5.330 40 10 IKCBRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219688441 557262461 /nfs/dbraw/zinc/26/24/61/557262461.db2.gz YDXCGXIPHYGFRX-FGTMMUONSA-N 0 0 445.401 5.330 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408841421 557262535 /nfs/dbraw/zinc/26/25/35/557262535.db2.gz GYAIEKBQWVUWNR-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(Br)cc1 ZINC000408843217 557264802 /nfs/dbraw/zinc/26/48/02/557264802.db2.gz QYPZBUGXHUBEHW-QGOAFFKASA-N 0 0 439.334 5.354 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408845278 557266254 /nfs/dbraw/zinc/26/62/54/557266254.db2.gz VOTGZENXJGZDNW-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000013025269 557274351 /nfs/dbraw/zinc/27/43/51/557274351.db2.gz WHXHSPZBUQKSMM-VWLOTQADSA-N 0 0 445.563 5.101 40 10 IKCBRN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000100925441 557278844 /nfs/dbraw/zinc/27/88/44/557278844.db2.gz MRKGAEHVCRQUOV-NTUHNPAUSA-N 0 0 426.097 5.268 40 10 IKCBRN Cc1cccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033387907 557296463 /nfs/dbraw/zinc/29/64/63/557296463.db2.gz FLFUWQCHXKCKLY-YVLHZVERSA-N 0 0 434.380 5.168 40 10 IKCBRN O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000013148666 557300543 /nfs/dbraw/zinc/30/05/43/557300543.db2.gz UFWLQADKLYPFQR-NVQSTNCTSA-N 0 0 449.474 5.248 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830508 557307003 /nfs/dbraw/zinc/30/70/03/557307003.db2.gz BGDKARZMNDYRPP-KGENOOAVSA-N 0 0 448.525 5.580 40 10 IKCBRN O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113831232 557307225 /nfs/dbraw/zinc/30/72/25/557307225.db2.gz WYFKXPTXYHKMHD-NKJMRRHMSA-N 0 0 447.335 5.319 40 10 IKCBRN O=C1C(=Cc2cccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113832352 557307246 /nfs/dbraw/zinc/30/72/46/557307246.db2.gz RCKMAIGECBNJOR-UHFFFAOYSA-N 0 0 434.520 5.588 40 10 IKCBRN O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113831263 557307267 /nfs/dbraw/zinc/30/72/67/557307267.db2.gz OEBMOKCRBKGXSB-ZRQJSYPSSA-N 0 0 447.335 5.319 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830990 557307287 /nfs/dbraw/zinc/30/72/87/557307287.db2.gz WQDMBARHOZBCSR-WQRHYEAKSA-N 0 0 442.905 5.914 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c(C)c1 ZINC000113837067 557307634 /nfs/dbraw/zinc/30/76/34/557307634.db2.gz VRLLJGDLMIJASQ-FRKPEAEDSA-N 0 0 439.345 5.924 40 10 IKCBRN O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000113838745 557307813 /nfs/dbraw/zinc/30/78/13/557307813.db2.gz RZQLEUBPBQQUCP-LDADJPATSA-N 0 0 441.921 5.445 40 10 IKCBRN COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000013389317 557309728 /nfs/dbraw/zinc/30/97/28/557309728.db2.gz HZYMXLLRPKVOHI-STXHMFSFSA-N 0 0 433.289 5.135 40 10 IKCBRN O=C1c2ccccc2C(=O)[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)[C@@H]12 ZINC000103952324 557318911 /nfs/dbraw/zinc/31/89/11/557318911.db2.gz FPPDSNPJQKKTIP-LJWNLINESA-N 0 0 429.519 6.301 40 10 IKCBRN Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033390854 557319274 /nfs/dbraw/zinc/31/92/74/557319274.db2.gz HARIBFRWAXVXBG-JCMHNJIXSA-N 0 0 441.618 5.797 40 10 IKCBRN CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033391789 557320512 /nfs/dbraw/zinc/32/05/12/557320512.db2.gz FUORUULZHCKFKL-DBZAVIBRSA-N 0 0 441.618 5.879 40 10 IKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 ZINC000104225394 557322451 /nfs/dbraw/zinc/32/24/51/557322451.db2.gz VAAIDCKFMBXURN-IZHYLOQSSA-N 0 0 430.558 6.704 40 10 IKCBRN Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1Cl ZINC000104282151 557324067 /nfs/dbraw/zinc/32/40/67/557324067.db2.gz JJTCLHXKNKKSLE-IZHYLOQSSA-N 0 0 430.295 5.891 40 10 IKCBRN CCOc1ccccc1/N=N\c1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 ZINC000104290535 557324182 /nfs/dbraw/zinc/32/41/82/557324182.db2.gz VLBVIPHPPAURDO-DQSJHHFOSA-N 0 0 427.460 6.168 40 10 IKCBRN COc1ccc(C2=COC3(C2)CCN(C(=O)c2cccc(-n4c(C)ccc4C)c2)CC3)cc1 ZINC000013566344 557344283 /nfs/dbraw/zinc/34/42/83/557344283.db2.gz UFTIXVQESKPIET-UHFFFAOYSA-N 0 0 442.559 5.539 40 10 IKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(-c2ccccc2)cc1 ZINC000013566435 557344524 /nfs/dbraw/zinc/34/45/24/557344524.db2.gz WPDHQUWQBATOAA-UHFFFAOYSA-N 0 0 439.496 6.034 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222617698 557362610 /nfs/dbraw/zinc/36/26/10/557362610.db2.gz YOXWRAWYOHEFBP-DPSWKAHMSA-N 0 0 431.609 5.144 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222620607 557363158 /nfs/dbraw/zinc/36/31/58/557363158.db2.gz VBVDBWUUKPHVLF-WYRQLCSISA-N 0 0 430.621 5.949 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222620458 557363209 /nfs/dbraw/zinc/36/32/09/557363209.db2.gz VBVDBWUUKPHVLF-UODBTFMRSA-N 0 0 430.621 5.949 40 10 IKCBRN C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222695068 557374859 /nfs/dbraw/zinc/37/48/59/557374859.db2.gz SGHQTZPQPKBVQR-MOPGFXCFSA-N 0 0 431.045 6.326 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 ZINC000222697190 557375168 /nfs/dbraw/zinc/37/51/68/557375168.db2.gz GBSFSEJTVGCJNS-MQNAVGNWSA-N 0 0 437.012 6.122 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222695932 557375189 /nfs/dbraw/zinc/37/51/89/557375189.db2.gz LVNZTOWCSSOPBQ-DCEDVJGZSA-N 0 0 430.621 6.031 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000222699233 557375398 /nfs/dbraw/zinc/37/53/98/557375398.db2.gz JXKDGJOTPSZTDE-DQMJNTIXSA-N 0 0 432.593 5.477 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222703124 557376331 /nfs/dbraw/zinc/37/63/31/557376331.db2.gz JDQONKJAVOYORL-LJGDZFJRSA-N 0 0 444.648 6.339 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 ZINC000222702047 557376367 /nfs/dbraw/zinc/37/63/67/557376367.db2.gz UAVJJNWGUZEXSL-YMVVMYQSSA-N 0 0 444.648 6.394 40 10 IKCBRN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616584 557378078 /nfs/dbraw/zinc/37/80/78/557378078.db2.gz IKGQRFWXNVPSIE-JXFKEZNVSA-N 0 0 427.323 5.459 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000222720454 557379042 /nfs/dbraw/zinc/37/90/42/557379042.db2.gz RIMUFWNIKJTAIM-URZJWIJPSA-N 0 0 427.017 5.623 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000222725139 557379559 /nfs/dbraw/zinc/37/95/59/557379559.db2.gz JHSTYVPSWBDGRY-WOJBJXKFSA-N 0 0 430.499 5.110 40 10 IKCBRN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639387 557384576 /nfs/dbraw/zinc/38/45/76/557384576.db2.gz ALUHAIVAFPIWOB-KNKQGSTJSA-N 0 0 425.370 5.758 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000222788759 557387116 /nfs/dbraw/zinc/38/71/16/557387116.db2.gz FFAQNJRLTQQQRZ-LEWJYISDSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000222792272 557387352 /nfs/dbraw/zinc/38/73/52/557387352.db2.gz SYGLZJGBMQNHRR-FCHUYYIVSA-N 0 0 441.000 5.144 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222791662 557387399 /nfs/dbraw/zinc/38/73/99/557387399.db2.gz XDCSIVILOGXIOD-YADHBBJMSA-N 0 0 425.001 5.443 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc21 ZINC000222825926 557390791 /nfs/dbraw/zinc/39/07/91/557390791.db2.gz UBUUNYCRCJQQGR-UIOOFZCWSA-N 0 0 440.616 6.023 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222829861 557391031 /nfs/dbraw/zinc/39/10/31/557391031.db2.gz NOTFCFYTZJFMCF-FCHUYYIVSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222829529 557391040 /nfs/dbraw/zinc/39/10/40/557391040.db2.gz KPVLCQJOJVBJDR-YADHBBJMSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222835199 557391534 /nfs/dbraw/zinc/39/15/34/557391534.db2.gz JBJWVOCMAGRSQX-UKILVPOCSA-N 0 0 432.637 5.795 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1C ZINC000222836177 557391966 /nfs/dbraw/zinc/39/19/66/557391966.db2.gz QPCOZQDALRCEIH-DHIUTWEWSA-N 0 0 439.028 5.832 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222880465 557397220 /nfs/dbraw/zinc/39/72/20/557397220.db2.gz KSYBSAWPDKKONL-UKILVPOCSA-N 0 0 432.637 5.797 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000033437500 557397675 /nfs/dbraw/zinc/39/76/75/557397675.db2.gz CKRUCQIIJMIHFQ-MQIWZSEOSA-N 0 0 425.945 5.167 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222882608 557397719 /nfs/dbraw/zinc/39/77/19/557397719.db2.gz QFKJZBUFAPJUTG-NOZRDPDXSA-N 0 0 432.637 5.742 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222918399 557402313 /nfs/dbraw/zinc/40/23/13/557402313.db2.gz FOCWWRXNRKYHCX-JWQCQUIFSA-N 0 0 432.637 5.680 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl ZINC000222919723 557402579 /nfs/dbraw/zinc/40/25/79/557402579.db2.gz UNUAQIFMQZJBMG-DHIUTWEWSA-N 0 0 439.028 5.771 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222918720 557402639 /nfs/dbraw/zinc/40/26/39/557402639.db2.gz UHAQPZDHJYOUPH-RPBOFIJWSA-N 0 0 432.637 5.680 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222922089 557403111 /nfs/dbraw/zinc/40/31/11/557403111.db2.gz GFLQYFPKNIFGFL-DNQXCXABSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C)c1C ZINC000222924149 557403405 /nfs/dbraw/zinc/40/34/05/557403405.db2.gz NVWJVFAIAPZSCL-JWQCQUIFSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)ccc1C ZINC000222924409 557403508 /nfs/dbraw/zinc/40/35/08/557403508.db2.gz XIQROCKVNOGWQP-JWQCQUIFSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C)c1C ZINC000222924321 557403527 /nfs/dbraw/zinc/40/35/27/557403527.db2.gz NVWJVFAIAPZSCL-DQEYMECFSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cccc1C ZINC000222924762 557403561 /nfs/dbraw/zinc/40/35/61/557403561.db2.gz BIFBEYZEYVRVQZ-UKILVPOCSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cccc1C ZINC000222924822 557403660 /nfs/dbraw/zinc/40/36/60/557403660.db2.gz BIFBEYZEYVRVQZ-ZCYQVOJMSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cccc1C ZINC000222924710 557403664 /nfs/dbraw/zinc/40/36/64/557403664.db2.gz BIFBEYZEYVRVQZ-NOZRDPDXSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cccc1C ZINC000222924655 557403667 /nfs/dbraw/zinc/40/36/67/557403667.db2.gz BIFBEYZEYVRVQZ-ILBGXUMGSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222925483 557403907 /nfs/dbraw/zinc/40/39/07/557403907.db2.gz GYRSQYSLQWCBQC-RSXGOPAZSA-N 0 0 446.664 6.043 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222927599 557404121 /nfs/dbraw/zinc/40/41/21/557404121.db2.gz VAQBUQUPGMBHAO-RSXGOPAZSA-N 0 0 446.664 5.988 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222927663 557404130 /nfs/dbraw/zinc/40/41/30/557404130.db2.gz VAQBUQUPGMBHAO-AZGAKELHSA-N 0 0 446.664 5.988 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000222963228 557408648 /nfs/dbraw/zinc/40/86/48/557408648.db2.gz APRKXKXLGNMMSJ-RPBOFIJWSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000222963285 557408677 /nfs/dbraw/zinc/40/86/77/557408677.db2.gz APRKXKXLGNMMSJ-LOSJGSFVSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222964483 557408958 /nfs/dbraw/zinc/40/89/58/557408958.db2.gz BYPBIKMZPNPRMC-GOTSBHOMSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222965097 557408995 /nfs/dbraw/zinc/40/89/95/557408995.db2.gz OKEYUWIUNVVXKE-PKTZIBPZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222965207 557409007 /nfs/dbraw/zinc/40/90/07/557409007.db2.gz OKEYUWIUNVVXKE-DHIUTWEWSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222964551 557409034 /nfs/dbraw/zinc/40/90/34/557409034.db2.gz BYPBIKMZPNPRMC-PKTZIBPZSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222967932 557409318 /nfs/dbraw/zinc/40/93/18/557409318.db2.gz AVSQYBMEYWGOKI-LOSJGSFVSA-N 0 0 447.652 5.328 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222966926 557409336 /nfs/dbraw/zinc/40/93/36/557409336.db2.gz GBXYAGUTONAEIG-BJKOFHAPSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000222969387 557409485 /nfs/dbraw/zinc/40/94/85/557409485.db2.gz MHEGPEGCIWGXKB-ZCYQVOJMSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000222969123 557409488 /nfs/dbraw/zinc/40/94/88/557409488.db2.gz HEZAGMQBZNXQLH-DQEYMECFSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000222969183 557409512 /nfs/dbraw/zinc/40/95/12/557409512.db2.gz HEZAGMQBZNXQLH-RPBOFIJWSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000222969764 557409527 /nfs/dbraw/zinc/40/95/27/557409527.db2.gz CEETWIJNBKDDCX-LOSJGSFVSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222970166 557409919 /nfs/dbraw/zinc/40/99/19/557409919.db2.gz OJUSNJYRXMVZTA-AHWVRZQESA-N 0 0 446.664 6.187 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222972337 557410144 /nfs/dbraw/zinc/41/01/44/557410144.db2.gz RNCCSMHDFKUWEQ-RSXGOPAZSA-N 0 0 446.664 6.133 40 10 IKCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000033581929 557414559 /nfs/dbraw/zinc/41/45/59/557414559.db2.gz YKJWPAIZOJKGMN-HUMIGVHUSA-N 0 0 443.985 5.077 40 10 IKCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000223014605 557415563 /nfs/dbraw/zinc/41/55/63/557415563.db2.gz XWYUATCBCJDGMJ-NOZRDPDXSA-N 0 0 448.636 5.033 40 10 IKCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000223014550 557415591 /nfs/dbraw/zinc/41/55/91/557415591.db2.gz XWYUATCBCJDGMJ-ZCYQVOJMSA-N 0 0 448.636 5.033 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223058566 557422915 /nfs/dbraw/zinc/42/29/15/557422915.db2.gz YCMJVWMXFOYGJA-DQEYMECFSA-N 0 0 448.636 5.115 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 ZINC000223094370 557430281 /nfs/dbraw/zinc/43/02/81/557430281.db2.gz HPTLWIODRHCZHX-LOSJGSFVSA-N 0 0 430.621 5.794 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C ZINC000223094511 557430307 /nfs/dbraw/zinc/43/03/07/557430307.db2.gz ZLIXWXLEUUZJDC-CLJLJLNGSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 ZINC000223094268 557430413 /nfs/dbraw/zinc/43/04/13/557430413.db2.gz HPTLWIODRHCZHX-JWQCQUIFSA-N 0 0 430.621 5.794 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000223094846 557430610 /nfs/dbraw/zinc/43/06/10/557430610.db2.gz MHDHBDSZEYPDMJ-FTJBHMTQSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000223094780 557430616 /nfs/dbraw/zinc/43/06/16/557430616.db2.gz MHDHBDSZEYPDMJ-CLJLJLNGSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F ZINC000223096101 557430772 /nfs/dbraw/zinc/43/07/72/557430772.db2.gz MTJDEEJHPJAJCZ-JWQCQUIFSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F ZINC000223096224 557430814 /nfs/dbraw/zinc/43/08/14/557430814.db2.gz MTJDEEJHPJAJCZ-LOSJGSFVSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O ZINC000223098495 557431012 /nfs/dbraw/zinc/43/10/12/557431012.db2.gz WYLROHGWWMZNCF-LOSJGSFVSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 ZINC000223098778 557431243 /nfs/dbraw/zinc/43/12/43/557431243.db2.gz DUJQZZHGHMYLLC-DQEYMECFSA-N 0 0 446.620 5.500 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223121193 557434384 /nfs/dbraw/zinc/43/43/84/557434384.db2.gz QTTFCDPUDXDGOA-DQEYMECFSA-N 0 0 446.620 5.495 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000103563237 557438935 /nfs/dbraw/zinc/43/89/35/557438935.db2.gz SOZNPWVMIBKSHA-PSVHDLGESA-N 0 0 441.354 5.024 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000103563276 557438969 /nfs/dbraw/zinc/43/89/69/557438969.db2.gz BFDWUEFQAVLBKZ-JFBLTNLISA-N 0 0 431.348 5.568 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406588 557443499 /nfs/dbraw/zinc/44/34/99/557443499.db2.gz SPHZFDUTMVSJRZ-BWAHOGKJSA-N 0 0 439.511 6.055 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014406649 557443836 /nfs/dbraw/zinc/44/38/36/557443836.db2.gz UIIFCFJPQWIYDS-ATVHPVEESA-N 0 0 446.728 5.370 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406716 557443862 /nfs/dbraw/zinc/44/38/62/557443862.db2.gz UZCCCEMNXRJMRC-HAHDFKILSA-N 0 0 445.902 6.010 40 10 IKCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000014414978 557445867 /nfs/dbraw/zinc/44/58/67/557445867.db2.gz KUHMJCAGTBAPLL-UYRXBGFRSA-N 0 0 430.331 5.299 40 10 IKCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000014415073 557446731 /nfs/dbraw/zinc/44/67/31/557446731.db2.gz DRGGZLPHXKQVQM-CYVLTUHYSA-N 0 0 429.438 5.011 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014480089 557447021 /nfs/dbraw/zinc/44/70/21/557447021.db2.gz FPTFRVLQUFJMEQ-QHWMMSMNSA-N 0 0 444.600 6.239 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223297105 557456816 /nfs/dbraw/zinc/45/68/16/557456816.db2.gz VKCKBFQHIQTPTI-QUCCMNQESA-N 0 0 444.641 5.403 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000015055803 557457602 /nfs/dbraw/zinc/45/76/02/557457602.db2.gz JPWRKGHLDVLWAW-NVNXTCNLSA-N 0 0 440.771 5.170 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C)c1 ZINC000223343353 557460621 /nfs/dbraw/zinc/46/06/21/557460621.db2.gz JNDNEBRWYLUNFX-JWQCQUIFSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C ZINC000223343272 557460638 /nfs/dbraw/zinc/46/06/38/557460638.db2.gz PMYIYZBHALOIHH-DQEYMECFSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 ZINC000223345052 557460764 /nfs/dbraw/zinc/46/07/64/557460764.db2.gz MYJZDWBTZCMVDD-ZEQRLZLVSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000223374326 557463968 /nfs/dbraw/zinc/46/39/68/557463968.db2.gz BHECDZXIVSFNBG-JWQCQUIFSA-N 0 0 439.588 5.057 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000223374386 557464050 /nfs/dbraw/zinc/46/40/50/557464050.db2.gz BHECDZXIVSFNBG-RPBOFIJWSA-N 0 0 439.588 5.057 40 10 IKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000016217168 557471203 /nfs/dbraw/zinc/47/12/03/557471203.db2.gz ODRSFGKEBWMYOS-SGIRGMQISA-N 0 0 432.545 5.323 40 10 IKCBRN CC(Nc1ccccc1-c1ccccc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017096547 557476830 /nfs/dbraw/zinc/47/68/30/557476830.db2.gz LLDOBIFTZJSGOW-MEFGMAGPSA-N 0 0 429.523 6.491 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 ZINC000223495746 557479299 /nfs/dbraw/zinc/47/92/99/557479299.db2.gz OUEWIUQESCAGOL-XKZIYDEJSA-N 0 0 433.527 5.329 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 ZINC000223495670 557479308 /nfs/dbraw/zinc/47/93/08/557479308.db2.gz MUMBSDHPJRRVNS-XKZIYDEJSA-N 0 0 433.527 5.329 40 10 IKCBRN CC(Nc1ccc(Br)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017097816 557479966 /nfs/dbraw/zinc/47/99/66/557479966.db2.gz WOPRPDFLTBKJNH-PGMHBOJBSA-N 0 0 432.321 5.586 40 10 IKCBRN CC(Nc1cccc(Br)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017097817 557480024 /nfs/dbraw/zinc/48/00/24/557480024.db2.gz RCFIKZIEGZRRFL-PGMHBOJBSA-N 0 0 432.321 5.586 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccccc2Cl)cc1 ZINC000017099727 557483477 /nfs/dbraw/zinc/48/34/77/557483477.db2.gz NWTLXAMYFFJEIQ-JCMHNJIXSA-N 0 0 435.886 5.625 40 10 IKCBRN CC(Nc1ccc(C)cc1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017094840 557485260 /nfs/dbraw/zinc/48/52/60/557485260.db2.gz GFADMLGLFPHMOC-NKFKGCMQSA-N 0 0 426.476 5.349 40 10 IKCBRN CC(Nc1cc(C)cc(C)c1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017094843 557485272 /nfs/dbraw/zinc/48/52/72/557485272.db2.gz CQWRZXFHQQZKQZ-NKFKGCMQSA-N 0 0 426.476 5.349 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223557876 557485683 /nfs/dbraw/zinc/48/56/83/557485683.db2.gz LSDMZDVXUASUMS-AHQHQLSQSA-N 0 0 444.597 5.175 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223557934 557485767 /nfs/dbraw/zinc/48/57/67/557485767.db2.gz LSDMZDVXUASUMS-BXRKRMDBSA-N 0 0 444.597 5.175 40 10 IKCBRN Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223605211 557491031 /nfs/dbraw/zinc/49/10/31/557491031.db2.gz DKLKLRYNMZSJEG-SUVVMJBMSA-N 0 0 431.605 5.266 40 10 IKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 ZINC000017102619 557491243 /nfs/dbraw/zinc/49/12/43/557491243.db2.gz LXLCNTDKJCPMBH-QJOMJCCJSA-N 0 0 438.556 5.996 40 10 IKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223617268 557492524 /nfs/dbraw/zinc/49/25/24/557492524.db2.gz GTDCYBMYHICMSH-QRAWFLTRSA-N 0 0 449.570 5.728 40 10 IKCBRN COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc2c1 ZINC000223740948 557507707 /nfs/dbraw/zinc/50/77/07/557507707.db2.gz SOEOTUPBGICJPN-RTBURBONSA-N 0 0 438.593 5.124 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 ZINC000223855210 557521404 /nfs/dbraw/zinc/52/14/04/557521404.db2.gz LMKPJWBWRDINOD-RPBOFIJWSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F ZINC000224164992 557569477 /nfs/dbraw/zinc/56/94/77/557569477.db2.gz SJZHGTWELDGQCC-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000224352806 557596812 /nfs/dbraw/zinc/59/68/12/557596812.db2.gz VOWYOMNCXVSCQA-UIOOFZCWSA-N 0 0 438.600 5.920 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000224480865 557610905 /nfs/dbraw/zinc/61/09/05/557610905.db2.gz HEASEZBLZRPDNX-DNQXCXABSA-N 0 0 444.991 6.011 40 10 IKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000224586498 557627520 /nfs/dbraw/zinc/62/75/20/557627520.db2.gz RSHYSMRJGGIOFW-DQEYMECFSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 ZINC000224600931 557629637 /nfs/dbraw/zinc/62/96/37/557629637.db2.gz HFQWUCWEHRNJRY-JWQCQUIFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 ZINC000224600968 557629710 /nfs/dbraw/zinc/62/97/10/557629710.db2.gz HFQWUCWEHRNJRY-RPBOFIJWSA-N 0 0 440.572 5.372 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225014873 557677903 /nfs/dbraw/zinc/67/79/03/557677903.db2.gz QTRLXUZRUQQMKM-UIOOFZCWSA-N 0 0 444.648 5.967 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225014631 557677938 /nfs/dbraw/zinc/67/79/38/557677938.db2.gz CTKIPRASXOHFPI-FTJBHMTQSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000225014179 557677942 /nfs/dbraw/zinc/67/79/42/557677942.db2.gz BAPYCIJJVNOYOF-DQEYMECFSA-N 0 0 430.621 5.713 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225017065 557678420 /nfs/dbraw/zinc/67/84/20/557678420.db2.gz WDUMEKQCMWLQMW-RPBOFIJWSA-N 0 0 446.620 5.413 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccn1 ZINC000225020772 557678656 /nfs/dbraw/zinc/67/86/56/557678656.db2.gz HACFNBAKMAHAKG-DNQXCXABSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225018984 557678694 /nfs/dbraw/zinc/67/86/94/557678694.db2.gz ONOUHUKRURQPNN-IZZNHLLZSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cn1 ZINC000225021187 557678903 /nfs/dbraw/zinc/67/89/03/557678903.db2.gz LPKZYNGEFPSGPW-BJKOFHAPSA-N 0 0 431.609 5.108 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225031011 557680146 /nfs/dbraw/zinc/68/01/46/557680146.db2.gz IIWMGDHHQXFFOS-BJKOFHAPSA-N 0 0 432.593 5.104 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C ZINC000225426487 557722168 /nfs/dbraw/zinc/72/21/68/557722168.db2.gz SWJAVCOMGCJMCC-HXUWFJFHSA-N 0 0 444.641 5.403 40 10 IKCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000225655645 557757438 /nfs/dbraw/zinc/75/74/38/557757438.db2.gz SBXUAQGEIBXSPH-GOSISDBHSA-N 0 0 425.598 5.066 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656140 557757700 /nfs/dbraw/zinc/75/77/00/557757700.db2.gz YNWAPMCMAAEFKM-SFHVURJKSA-N 0 0 425.598 5.147 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656393 557757707 /nfs/dbraw/zinc/75/77/07/557757707.db2.gz HNAYGYHWCCTCDO-LJQANCHMSA-N 0 0 436.625 5.097 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000225664911 557759354 /nfs/dbraw/zinc/75/93/54/557759354.db2.gz XATODKIPVSWUKT-CQSZACIVSA-N 0 0 436.394 5.626 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225665726 557759519 /nfs/dbraw/zinc/75/95/19/557759519.db2.gz XPKUQFFSYOFVSJ-INIZCTEOSA-N 0 0 446.016 5.555 40 10 IKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O ZINC000225666224 557759717 /nfs/dbraw/zinc/75/97/17/557759717.db2.gz RNZSLQLGEYDIRU-LJQANCHMSA-N 0 0 436.625 5.160 40 10 IKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O ZINC000225666199 557759792 /nfs/dbraw/zinc/75/97/92/557759792.db2.gz RNZSLQLGEYDIRU-IBGZPJMESA-N 0 0 436.625 5.160 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000225669923 557760375 /nfs/dbraw/zinc/76/03/75/557760375.db2.gz MBZSJKNJVSWNHE-HZPDHXFCSA-N 0 0 446.016 5.411 40 10 IKCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225669515 557760400 /nfs/dbraw/zinc/76/04/00/557760400.db2.gz RVUBLMRHXMVTPT-AEFFLSMTSA-N 0 0 425.598 5.066 40 10 IKCBRN COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc2c1 ZINC000225727299 557769321 /nfs/dbraw/zinc/76/93/21/557769321.db2.gz GFTSLADPYHAKAU-LJQANCHMSA-N 0 0 438.593 5.124 40 10 IKCBRN S=C(NCCCN1CCCc2ccccc21)Nc1ccc(Br)c(Cl)c1 ZINC000225746031 557772247 /nfs/dbraw/zinc/77/22/47/557772247.db2.gz GULPGOQDKFPOKW-UHFFFAOYSA-N 0 0 438.822 5.232 40 10 IKCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1 ZINC000225779883 557777262 /nfs/dbraw/zinc/77/72/62/557777262.db2.gz OENDBBBRAWFONM-HXUWFJFHSA-N 0 0 448.994 6.085 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000225838371 557783592 /nfs/dbraw/zinc/78/35/92/557783592.db2.gz SMDCXTSOYWUOBD-CYBMUJFWSA-N 0 0 443.922 5.243 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000033757698 557810641 /nfs/dbraw/zinc/81/06/41/557810641.db2.gz VTWRKKAWEOCOPO-XQNSMLJCSA-N 0 0 447.581 6.070 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(Cl)cc2)cc1 ZINC000034139181 557811043 /nfs/dbraw/zinc/81/10/43/557811043.db2.gz RAFVBOSXSKBQSU-KGENOOAVSA-N 0 0 448.906 5.200 40 10 IKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 ZINC000058848688 557811821 /nfs/dbraw/zinc/81/18/21/557811821.db2.gz YKCCKAPVPQWAKC-SGIRGMQISA-N 0 0 432.545 5.323 40 10 IKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058849706 557811884 /nfs/dbraw/zinc/81/18/84/557811884.db2.gz KPDCBOTWBOELFD-LZCXECNNSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc([N+](=O)[O-])cc3)N4)sc2c1 ZINC000058851194 557812133 /nfs/dbraw/zinc/81/21/33/557812133.db2.gz UYSJGDOQXFOECT-RNHFSVANSA-N 0 0 439.540 7.006 40 10 IKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000058851077 557812179 /nfs/dbraw/zinc/81/21/79/557812179.db2.gz IDEBGLWSNVEBEC-GPHJXTMHSA-N 0 0 429.572 7.236 40 10 IKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000058851295 557812183 /nfs/dbraw/zinc/81/21/83/557812183.db2.gz QIADHIUIMWHFJD-PEBVRCNWSA-N 0 0 429.572 7.236 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000058865624 557812200 /nfs/dbraw/zinc/81/22/00/557812200.db2.gz PKIFCBOQOQWXIT-UHFFFAOYSA-N 0 0 447.314 5.716 40 10 IKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3Cl)N4)sc2c1 ZINC000058851124 557812202 /nfs/dbraw/zinc/81/22/02/557812202.db2.gz DKYOWIJQTUPZJI-FUMQJTLXSA-N 0 0 428.988 7.752 40 10 IKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000058865985 557812294 /nfs/dbraw/zinc/81/22/94/557812294.db2.gz NHZFMXJRAFYDRA-UHFFFAOYSA-N 0 0 433.287 5.326 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000058822033 557812718 /nfs/dbraw/zinc/81/27/18/557812718.db2.gz HHDKQQHVHINKIT-FYJGNVAPSA-N 0 0 437.326 6.379 40 10 IKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058845715 557812802 /nfs/dbraw/zinc/81/28/02/557812802.db2.gz SDRXZBGYKQOXKC-UNVFRBQDSA-N 0 0 446.572 5.631 40 10 IKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 ZINC000058846056 557813082 /nfs/dbraw/zinc/81/30/82/557813082.db2.gz IFHRIQATNSVLSQ-QHWMMSMNSA-N 0 0 444.600 6.185 40 10 IKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058846064 557813155 /nfs/dbraw/zinc/81/31/55/557813155.db2.gz FFAATWJFKVJXKQ-UNVFRBQDSA-N 0 0 448.563 6.015 40 10 IKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 ZINC000058846610 557813292 /nfs/dbraw/zinc/81/32/92/557813292.db2.gz JWYCCYDVQODQNK-PPJWLVRDSA-N 0 0 448.563 6.070 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000058884067 557814707 /nfs/dbraw/zinc/81/47/07/557814707.db2.gz IGQVHVVNBJRRSJ-UYRXBGFRSA-N 0 0 429.438 5.706 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059138808 557816490 /nfs/dbraw/zinc/81/64/90/557816490.db2.gz XXYOIGKYBUKRNA-XSFVSMFZSA-N 0 0 447.922 5.065 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000059139089 557816518 /nfs/dbraw/zinc/81/65/18/557816518.db2.gz IQAMVRJKXKXJFC-OQKWZONESA-N 0 0 443.503 5.018 40 10 IKCBRN O=C1C(=Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059391353 557822578 /nfs/dbraw/zinc/82/25/78/557822578.db2.gz WECDATMHECXWJR-UHFFFAOYSA-N 0 0 437.282 5.577 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccccc1 ZINC000059417956 557822960 /nfs/dbraw/zinc/82/29/60/557822960.db2.gz DGMQRTOPILWXGT-WQRHYEAKSA-N 0 0 446.380 6.655 40 10 IKCBRN O=C1/C(=C/c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1Cc1ccccc1 ZINC000059417959 557822988 /nfs/dbraw/zinc/82/29/88/557822988.db2.gz PPVHILSFCYTPDS-ZSOIEALJSA-N 0 0 425.318 5.303 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C1CCCCC1 ZINC000059418185 557823184 /nfs/dbraw/zinc/82/31/84/557823184.db2.gz VQUUMCUGEAHBPU-KGENOOAVSA-N 0 0 427.566 5.939 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc(F)c1 ZINC000059418256 557823412 /nfs/dbraw/zinc/82/34/12/557823412.db2.gz IUSNETIIWWCAGP-CIAFOILYSA-N 0 0 439.508 5.950 40 10 IKCBRN Cc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484759 557825411 /nfs/dbraw/zinc/82/54/11/557825411.db2.gz DUKGGWALEJSNOQ-XIEYBQDHSA-N 0 0 446.506 6.040 40 10 IKCBRN CC(C)CN(CC(C)C)c1ccc([C@@H]2OCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000059489925 557826129 /nfs/dbraw/zinc/82/61/29/557826129.db2.gz DWTQWACFJKIPNS-VWLOTQADSA-N 0 0 425.573 5.634 40 10 IKCBRN O=C1/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000059514469 557827058 /nfs/dbraw/zinc/82/70/58/557827058.db2.gz ZKPDTGNBOHUYFZ-XSFVSMFZSA-N 0 0 440.014 6.897 40 10 IKCBRN O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000059961088 557828171 /nfs/dbraw/zinc/82/81/71/557828171.db2.gz BPXCYBXBCWIVKM-YZUZCNPQSA-N 0 0 436.964 5.967 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223058185 568626697 /nfs/dbraw/zinc/62/66/97/568626697.db2.gz KYFXBLBAPWNTFU-LOSJGSFVSA-N 0 0 448.636 5.115 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001105886 568788006 /nfs/dbraw/zinc/78/80/06/568788006.db2.gz JGMZPTQCKWRIRI-RVDMUPIBSA-N 0 0 438.233 5.599 40 10 IKCBRN Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000026580575 568886060 /nfs/dbraw/zinc/88/60/60/568886060.db2.gz PWSGZGKWDLRJTL-STZFKDTASA-N 0 0 427.591 5.407 40 10 IKCBRN Cc1ccc(SCCNC(=O)COC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc1 ZINC000102904851 568890116 /nfs/dbraw/zinc/89/01/16/568890116.db2.gz JNZVAIFGZOJJKD-CYYJNZCTSA-N 0 0 449.532 5.181 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000016712720 568894005 /nfs/dbraw/zinc/89/40/05/568894005.db2.gz ACAOGFHQTIJNKN-XQJAMKRVSA-N 0 0 444.581 5.626 40 10 IKCBRN Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000026681010 568906949 /nfs/dbraw/zinc/90/69/49/568906949.db2.gz XRSRIVHDDIIKEX-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000026713094 568908575 /nfs/dbraw/zinc/90/85/75/568908575.db2.gz FBDHKVILQKJDDX-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)[NH+]1CCCC1)c([O-])c1ccccc21 ZINC000001448569 568909264 /nfs/dbraw/zinc/90/92/64/568909264.db2.gz YRLOQKKAVIXGMB-HSZRJFAPSA-N 0 0 430.504 5.357 40 10 IKCBRN COc1cc([O-])c(C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 ZINC000036552033 569117678 /nfs/dbraw/zinc/11/76/78/569117678.db2.gz KBQVRFHSKXFXPL-DNOBIOAJSA-N 0 0 433.548 5.575 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000226837908 569183042 /nfs/dbraw/zinc/18/30/42/569183042.db2.gz NUOIGBKNJVBSHK-FTLABTOESA-N 0 0 442.127 6.425 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000141806404 569254901 /nfs/dbraw/zinc/25/49/01/569254901.db2.gz BETUJYLSNMKEQH-JLPGSUDCSA-N 0 0 427.573 5.207 40 10 IKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 ZINC000144226946 569255033 /nfs/dbraw/zinc/25/50/33/569255033.db2.gz SVMHNCONNVAKBI-HMAPJEAMSA-N 0 0 446.528 5.430 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000006307867 569259004 /nfs/dbraw/zinc/25/90/04/569259004.db2.gz PEOICYYMCFPTQK-QJOMJCCJSA-N 0 0 425.528 6.015 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1O[C@H](C)CC ZINC000010131006 569259147 /nfs/dbraw/zinc/25/91/47/569259147.db2.gz JNXILAPXFCAUEC-MKVLZVNKSA-N 0 0 444.416 5.246 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000033529384 569259380 /nfs/dbraw/zinc/25/93/80/569259380.db2.gz DHDAVGPUBAFEER-PDGQHHTCSA-N 0 0 438.310 6.024 40 10 IKCBRN CCCCCCOc1c(Cl)cc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000033655900 569259482 /nfs/dbraw/zinc/25/94/82/569259482.db2.gz AAJWBWOLOVXWNZ-HMMYKYKNSA-N 0 0 444.984 6.390 40 10 IKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000033707340 569259635 /nfs/dbraw/zinc/25/96/35/569259635.db2.gz BTWFXDWCRUDYQQ-UCQKPKSFSA-N 0 0 443.959 6.425 40 10 IKCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc43)C(C)=C2C(=O)OC)cc1OC ZINC000033674388 569259636 /nfs/dbraw/zinc/25/96/36/569259636.db2.gz FYIGXFUVDZAYSS-QNGOZBTKSA-N 0 0 443.499 5.124 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000033737425 569259794 /nfs/dbraw/zinc/25/97/94/569259794.db2.gz RWKGBVUQDWWIGO-ZDLGFXPLSA-N 0 0 438.401 6.184 40 10 IKCBRN C=CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc43)C(C)=C2C(=O)OC)c1 ZINC000034688561 569259969 /nfs/dbraw/zinc/25/99/69/569259969.db2.gz JIARTLADTUFNDD-QJOMJCCJSA-N 0 0 425.484 5.282 40 10 IKCBRN CCOc1c(Cl)cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl ZINC000034868947 569260025 /nfs/dbraw/zinc/26/00/25/569260025.db2.gz JBUAFPJCXAOMCH-DHDCSXOGSA-N 0 0 427.740 6.128 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)cc3)S2)cc1 ZINC000034766155 569260049 /nfs/dbraw/zinc/26/00/49/569260049.db2.gz WHJRURJZKPVQTG-HMAPJEAMSA-N 0 0 434.948 6.310 40 10 IKCBRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@H]1c1ccc(N(C)C)cc1 ZINC000035177956 569260175 /nfs/dbraw/zinc/26/01/75/569260175.db2.gz DYBJVFKUUIQUDM-QHCPKHFHSA-N 0 0 433.577 5.356 40 10 IKCBRN Cc1ccc(COc2ccc(Cl)cc2C=C2SC(Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000035167759 569260220 /nfs/dbraw/zinc/26/02/20/569260220.db2.gz NXLCMGLFCASSGB-UCQKPKSFSA-N 0 0 448.975 6.618 40 10 IKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000040006339 569260367 /nfs/dbraw/zinc/26/03/67/569260367.db2.gz VZVLIVDVAVVAOJ-SCWSXOCZSA-N 0 0 445.993 5.299 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000040005925 569260397 /nfs/dbraw/zinc/26/03/97/569260397.db2.gz XAOBXLLCPVNNPE-UNOMPAQXSA-N 0 0 433.982 5.539 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000040007076 569260418 /nfs/dbraw/zinc/26/04/18/569260418.db2.gz LXLKORRVZMWPKZ-XHPQRKPJSA-N 0 0 448.497 6.239 40 10 IKCBRN CCN1C(=O)/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)SC1=S ZINC000108073356 569260829 /nfs/dbraw/zinc/26/08/29/569260829.db2.gz LHEATMYNKZNAIJ-BKUYFWCQSA-N 0 0 439.989 6.293 40 10 IKCBRN CCCCCCOc1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC ZINC000108991641 569260932 /nfs/dbraw/zinc/26/09/32/569260932.db2.gz CLRIUVVPNPKACV-RCCKNPSSSA-N 0 0 444.984 6.390 40 10 IKCBRN CCN1c2cc(C)c(C=C3SC(Nc4ccc(C)cc4)=NC3=O)cc2[C@H](C)CC1(C)C ZINC000208317545 569261258 /nfs/dbraw/zinc/26/12/58/569261258.db2.gz BWCDNDUKFMYREE-NLKUQUHMSA-N 0 0 433.621 6.498 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208694863 569261307 /nfs/dbraw/zinc/26/13/07/569261307.db2.gz VCBHBOVMJAHUFG-WQRHYEAKSA-N 0 0 442.905 5.914 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208323432 569261323 /nfs/dbraw/zinc/26/13/23/569261323.db2.gz RHLWDWVWYMWSMM-JVMBGAFUSA-N 0 0 431.580 5.508 40 10 IKCBRN CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208321676 569261420 /nfs/dbraw/zinc/26/14/20/569261420.db2.gz QDZVGQAJGZDBJU-RDPIHGLISA-N 0 0 437.971 5.545 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000214384227 569261474 /nfs/dbraw/zinc/26/14/74/569261474.db2.gz CVCFWJGFMLMLGH-RGVLZGJSSA-N 0 0 447.387 6.139 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214389064 569261532 /nfs/dbraw/zinc/26/15/32/569261532.db2.gz SMROIGVBXMOTKQ-YBFXNURJSA-N 0 0 433.360 5.830 40 10 IKCBRN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 ZINC000250660936 569271152 /nfs/dbraw/zinc/27/11/52/569271152.db2.gz ZHSGGKNUWKMLFE-SLSDLSHTSA-N 0 0 432.361 6.855 40 10 IKCBRN COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4scnc4c3)c3ccccc3)C2)cc1 ZINC000257311887 569278787 /nfs/dbraw/zinc/27/87/87/569278787.db2.gz ULKYPHGUMSVLBQ-QIGHUWCUSA-N 0 0 445.588 5.346 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453400 569281079 /nfs/dbraw/zinc/28/10/79/569281079.db2.gz OEQHWTBMNZWZLS-FCHUYYIVSA-N 0 0 444.644 6.706 40 10 IKCBRN C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260511786 569281209 /nfs/dbraw/zinc/28/12/09/569281209.db2.gz SGHQTZPQPKBVQR-OALUTQOASA-N 0 0 431.045 6.326 40 10 IKCBRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br ZINC000260455487 569281200 /nfs/dbraw/zinc/28/12/00/569281200.db2.gz WUTIBJCFISAVJT-FUHWJXTLSA-N 0 0 445.401 5.250 40 10 IKCBRN Cc1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br ZINC000260737413 569281375 /nfs/dbraw/zinc/28/13/75/569281375.db2.gz JTHYAVSBKCAWEL-HNNXBMFYSA-N 0 0 432.431 5.480 40 10 IKCBRN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577833 569281383 /nfs/dbraw/zinc/28/13/83/569281383.db2.gz MZRZLTGBYHJCPF-VXKWHMMOSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260733003 569281385 /nfs/dbraw/zinc/28/13/85/569281385.db2.gz DOOOULMMVZWMPQ-JKSUJKDBSA-N 0 0 432.431 5.733 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260578021 569281412 /nfs/dbraw/zinc/28/14/12/569281412.db2.gz SZBCCSDCYSXXHX-GOTSBHOMSA-N 0 0 426.604 6.199 40 10 IKCBRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br ZINC000260732810 569281420 /nfs/dbraw/zinc/28/14/20/569281420.db2.gz BOKWGPPQOUOEHD-RDJZCZTQSA-N 0 0 446.458 6.041 40 10 IKCBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577990 569281441 /nfs/dbraw/zinc/28/14/41/569281441.db2.gz RPSBPPSUFWMDRP-ISCCLHIJSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260579006 569281444 /nfs/dbraw/zinc/28/14/44/569281444.db2.gz ZKVUVGFHBOMNMB-IXFSTUDKSA-N 0 0 431.045 6.324 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260737588 569281445 /nfs/dbraw/zinc/28/14/45/569281445.db2.gz MBGSLOHAHQYIDZ-ROUUACIJSA-N 0 0 425.598 5.147 40 10 IKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 ZINC000260755905 569281472 /nfs/dbraw/zinc/28/14/72/569281472.db2.gz CEZFZHAFRFTQNL-UJUVCNOISA-N 0 0 439.028 5.956 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C ZINC000260737476 569281530 /nfs/dbraw/zinc/28/15/30/569281530.db2.gz KMBHHZQCCIUJQN-PKOBYXMFSA-N 0 0 439.625 5.456 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260740069 569281554 /nfs/dbraw/zinc/28/15/54/569281554.db2.gz SEXKHRIJQHLVIZ-HKUYNNGSSA-N 0 0 439.625 5.456 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000260766265 569281611 /nfs/dbraw/zinc/28/16/11/569281611.db2.gz JLYLNPTXAPLXNM-UZFJHSOTSA-N 0 0 437.012 6.040 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 ZINC000260777783 569281618 /nfs/dbraw/zinc/28/16/18/569281618.db2.gz QSCSLAKOKQHGPC-PBXXJUDPSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000260766409 569281645 /nfs/dbraw/zinc/28/16/45/569281645.db2.gz JXKDGJOTPSZTDE-DKLXNKCPSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000260778215 569281649 /nfs/dbraw/zinc/28/16/49/569281649.db2.gz RIMUFWNIKJTAIM-XGRCMKMKSA-N 0 0 427.017 5.623 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 ZINC000260784412 569281674 /nfs/dbraw/zinc/28/16/74/569281674.db2.gz WCLYWWIYNIMQKJ-LEOXJPRUSA-N 0 0 437.012 6.122 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@H](CC)N43)c2C)cc1 ZINC000260781625 569281715 /nfs/dbraw/zinc/28/17/15/569281715.db2.gz UDGOQJBMROSJDX-BUUDZMLXSA-N 0 0 430.621 6.031 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(Cl)c1C ZINC000260786597 569281736 /nfs/dbraw/zinc/28/17/36/569281736.db2.gz YKXBYXVUZZMYIS-DURYTUKUSA-N 0 0 437.012 6.040 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 ZINC000260783799 569281744 /nfs/dbraw/zinc/28/17/44/569281744.db2.gz UHOYKPULZNYVTL-ZPZUNKDASA-N 0 0 430.621 6.085 40 10 IKCBRN 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6.024 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)S2)c(C)c1 ZINC000035645145 556201452 /nfs/dbraw/zinc/20/14/52/556201452.db2.gz NQIZKYKTMCHTCX-OEAKJJBVSA-N 0 0 448.975 6.618 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000408736137 556204016 /nfs/dbraw/zinc/20/40/16/556204016.db2.gz HOLXMTODBXJDBF-FTLABTOESA-N 0 0 425.153 6.591 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000035646160 556204318 /nfs/dbraw/zinc/20/43/18/556204318.db2.gz SITADWMOMPSJOV-ODLFYWEKSA-N 0 0 429.328 6.644 40 10 IKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 ZINC000008819675 556219475 /nfs/dbraw/zinc/21/94/75/556219475.db2.gz VSIKWIVYXHPDMM-RGEXLXHISA-N 0 0 445.009 5.740 40 10 IKCBRN CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000008819697 556219522 /nfs/dbraw/zinc/21/95/22/556219522.db2.gz DKWYVMGOZZODIE-BWHWTHMTSA-N 0 0 430.639 5.239 40 10 IKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000008820352 556220097 /nfs/dbraw/zinc/22/00/97/556220097.db2.gz WIJRFPWLIUBUBB-MAHQCVNESA-N 0 0 449.384 5.390 40 10 IKCBRN CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000008820211 556220108 /nfs/dbraw/zinc/22/01/08/556220108.db2.gz OFWLTKVEMJBPNH-SDXDJHTJSA-N 0 0 440.030 5.835 40 10 IKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000008820351 556220151 /nfs/dbraw/zinc/22/01/51/556220151.db2.gz VCEVHJOILPPECL-GUSDSWBTSA-N 0 0 449.384 5.390 40 10 IKCBRN Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 ZINC000008820420 556220382 /nfs/dbraw/zinc/22/03/82/556220382.db2.gz VSWNBRMFAQQZOX-VTGAJVDQSA-N 0 0 436.602 5.398 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000008820621 556220779 /nfs/dbraw/zinc/22/07/79/556220779.db2.gz CVBJVKYPWGQPCA-UJUKKVGJSA-N 0 0 428.966 5.126 40 10 IKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008820785 556221362 /nfs/dbraw/zinc/22/13/62/556221362.db2.gz OMPHHAQUSAIDBK-BKUYFWCQSA-N 0 0 436.920 5.707 40 10 IKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821225 556222221 /nfs/dbraw/zinc/22/22/21/556222221.db2.gz SZVOPKPMMCFAPV-LICLKQGHSA-N 0 0 431.300 6.041 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4cc(C)ccc4C)C3=O)c2)cc1 ZINC000008821312 556222435 /nfs/dbraw/zinc/22/24/35/556222435.db2.gz ZEDGMCJINYWZRM-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1 ZINC000008821307 556222471 /nfs/dbraw/zinc/22/24/71/556222471.db2.gz NBXJNDCLZYPJMJ-JLPGSUDCSA-N 0 0 445.609 6.542 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 ZINC000008821585 556223124 /nfs/dbraw/zinc/22/31/24/556223124.db2.gz DXSLRYAFZPCBKZ-RGEXLXHISA-N 0 0 443.590 5.461 40 10 IKCBRN COc1ccc(CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1OC ZINC000008821602 556223134 /nfs/dbraw/zinc/22/31/34/556223134.db2.gz JOQYCXBTSWFUAZ-CQPDGHCISA-N 0 0 425.575 5.094 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000008821539 556223145 /nfs/dbraw/zinc/22/31/45/556223145.db2.gz SIKPBFFGIHNPKU-VCHYOVAHSA-N 0 0 426.475 5.158 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 ZINC000008821748 556223623 /nfs/dbraw/zinc/22/36/23/556223623.db2.gz POVIFSVLOWWURN-JLPGSUDCSA-N 0 0 428.557 6.219 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)S2)cc1 ZINC000008821694 556223652 /nfs/dbraw/zinc/22/36/52/556223652.db2.gz LWFXHJREJFZTGI-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000008821722 556223655 /nfs/dbraw/zinc/22/36/55/556223655.db2.gz MVKDGBWRJPWMCW-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)S2)cc1 ZINC000008821801 556223680 /nfs/dbraw/zinc/22/36/80/556223680.db2.gz DUCHIILCVGFDFJ-UDWIEESQSA-N 0 0 437.908 5.641 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 ZINC000008821766 556223686 /nfs/dbraw/zinc/22/36/86/556223686.db2.gz RMJIVJDETCXAPT-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000008821759 556223703 /nfs/dbraw/zinc/22/37/03/556223703.db2.gz VHXLQGZIDJZASY-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000008870227 556229704 /nfs/dbraw/zinc/22/97/04/556229704.db2.gz MFTXIWJAKACWDM-CHHVJCJISA-N 0 0 427.856 5.577 40 10 IKCBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000408755056 556237952 /nfs/dbraw/zinc/23/79/52/556237952.db2.gz BHRHBNWQBGEHOP-BUVRLJJBSA-N 0 0 440.934 6.102 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408756273 556239526 /nfs/dbraw/zinc/23/95/26/556239526.db2.gz PPZVTSUHBYTUMU-KGENOOAVSA-N 0 0 448.906 5.200 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 ZINC000408756427 556239572 /nfs/dbraw/zinc/23/95/72/556239572.db2.gz RECBFFLYOAKAGG-DEDYPNTBSA-N 0 0 437.724 5.937 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)c2)cc1 ZINC000009188598 556251262 /nfs/dbraw/zinc/25/12/62/556251262.db2.gz FFYZRSQPQFSFDM-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188545 556251265 /nfs/dbraw/zinc/25/12/65/556251265.db2.gz AVGCQONWKTYWHS-NSIKDUERSA-N 0 0 435.184 6.706 40 10 IKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000009188605 556251318 /nfs/dbraw/zinc/25/13/18/556251318.db2.gz NPKGSDWVOSWKOX-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188547 556251324 /nfs/dbraw/zinc/25/13/24/556251324.db2.gz CJPZJDFPLZCNKA-AUWJEWJLSA-N 0 0 445.190 6.162 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000009188694 556251655 /nfs/dbraw/zinc/25/16/55/556251655.db2.gz URRDUUMHIZIGPM-UZXDDYOISA-N 0 0 445.609 6.536 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000009188796 556252045 /nfs/dbraw/zinc/25/20/45/556252045.db2.gz JGWMVMLSKXGLCP-KQWNVCNZSA-N 0 0 431.582 6.234 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000009233049 556262056 /nfs/dbraw/zinc/26/20/56/556262056.db2.gz WZIKDSWXZVJEME-HYARGMPZSA-N 0 0 435.545 6.119 40 10 IKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 ZINC000036080635 556271387 /nfs/dbraw/zinc/27/13/87/556271387.db2.gz GSGUMWAFJXFOQB-QQNWGBJXSA-N 0 0 429.991 7.869 40 10 IKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000036080607 556271437 /nfs/dbraw/zinc/27/14/37/556271437.db2.gz JVBJVJCAYQYBSZ-DXBVXKBHSA-N 0 0 426.516 6.617 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1Cc1ccccc1 ZINC000009294944 556274279 /nfs/dbraw/zinc/27/42/79/556274279.db2.gz TYOZOVDDKGLNFR-HYARGMPZSA-N 0 0 435.545 5.806 40 10 IKCBRN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000009444611 556292127 /nfs/dbraw/zinc/29/21/27/556292127.db2.gz KVYCEFDUMYZHQW-QGOAFFKASA-N 0 0 430.982 5.269 40 10 IKCBRN [N-]=[N+]=NCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(CN=[N+]=[N-])cc2)cc1 ZINC000009460524 556293187 /nfs/dbraw/zinc/29/31/87/556293187.db2.gz KSZUTTMJCUOGIH-UHFFFAOYSA-N 0 0 426.440 5.812 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214808740 556410867 /nfs/dbraw/zinc/41/08/67/556410867.db2.gz UJIBLHNTMSAMNX-XDHOZWIPSA-N 0 0 449.359 5.067 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C)c1OCc1ccc(F)cc1 ZINC000408854750 556443520 /nfs/dbraw/zinc/44/35/20/556443520.db2.gz AQNJHIVSIIPBIB-HYARGMPZSA-N 0 0 449.572 6.427 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S ZINC000040005935 556445807 /nfs/dbraw/zinc/44/58/07/556445807.db2.gz MLQYFVQIJRCOHE-DEDYPNTBSA-N 0 0 431.554 5.415 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408892118 556478200 /nfs/dbraw/zinc/47/82/00/556478200.db2.gz GHVWQGVZKYTNLB-PDGQHHTCSA-N 0 0 446.728 5.370 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408902474 556489567 /nfs/dbraw/zinc/48/95/67/556489567.db2.gz OEORUMMYQLFSBB-SRZZPIQSSA-N 0 0 434.542 5.229 40 10 IKCBRN COc1cc(C=C2SC(=O)NC2=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000015056997 556490244 /nfs/dbraw/zinc/49/02/44/556490244.db2.gz GUIBEPULYNVDBQ-APSNUPSMSA-N 0 0 426.346 5.706 40 10 IKCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000408903066 556490723 /nfs/dbraw/zinc/49/07/23/556490723.db2.gz UGUYFZLHEPPWJB-RCCKNPSSSA-N 0 0 446.553 5.110 40 10 IKCBRN Cc1c(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1 ZINC000408904522 556490959 /nfs/dbraw/zinc/49/09/59/556490959.db2.gz KVEYRVLRZZOEKX-XSFVSMFZSA-N 0 0 434.337 5.663 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408903775 556491259 /nfs/dbraw/zinc/49/12/59/556491259.db2.gz YVZPZWNVRWNMSF-JMIUGGIZSA-N 0 0 440.355 5.171 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 ZINC000408904132 556492113 /nfs/dbraw/zinc/49/21/13/556492113.db2.gz FGLURQGPGYVMLE-PCLIKHOPSA-N 0 0 448.526 5.395 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Cl)c1O ZINC000408904098 556492124 /nfs/dbraw/zinc/49/21/24/556492124.db2.gz DQWFKTDGPMCJFT-NTEUORMPSA-N 0 0 435.705 5.013 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408904810 556492382 /nfs/dbraw/zinc/49/23/82/556492382.db2.gz OYWMOBJZVGPNPG-KOEQRZSOSA-N 0 0 436.486 6.364 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000408905070 556492740 /nfs/dbraw/zinc/49/27/40/556492740.db2.gz SQRJOLNHPWNLLO-NLRVBDNBSA-N 0 0 432.523 6.533 40 10 IKCBRN CCCCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000032701789 556496970 /nfs/dbraw/zinc/49/69/70/556496970.db2.gz OXDLJAKZSLXKCC-SAPNQHFASA-N 0 0 426.003 5.445 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1 ZINC000013305917 556502360 /nfs/dbraw/zinc/50/23/60/556502360.db2.gz PTJGBAIUKXGWOK-UNOMPAQXSA-N 0 0 432.014 5.457 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214827572 556513562 /nfs/dbraw/zinc/51/35/62/556513562.db2.gz BWRQIUIRQIVZNA-XDHOZWIPSA-N 0 0 433.360 5.830 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000214828830 556513604 /nfs/dbraw/zinc/51/36/04/556513604.db2.gz HHILIZGALNPZFW-UDWIEESQSA-N 0 0 447.387 6.139 40 10 IKCBRN CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)SC1=S ZINC000032109506 556530103 /nfs/dbraw/zinc/53/01/03/556530103.db2.gz YLBGFQSOSQTEAU-PXNMLYILSA-N 0 0 444.792 6.057 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000032138939 556536893 /nfs/dbraw/zinc/53/68/93/556536893.db2.gz NZEZDEBRVVIYDJ-KGENOOAVSA-N 0 0 446.344 5.925 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408937079 556537500 /nfs/dbraw/zinc/53/75/00/556537500.db2.gz HSFPIEGPLBJJLR-HYARGMPZSA-N 0 0 448.881 5.500 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408939510 556537838 /nfs/dbraw/zinc/53/78/38/556537838.db2.gz MUQQCAAMZFXIFV-FYJGNVAPSA-N 0 0 437.326 6.379 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1 ZINC000408946166 556546565 /nfs/dbraw/zinc/54/65/65/556546565.db2.gz YIQSJHUWLDMAKF-HYARGMPZSA-N 0 0 432.907 5.734 40 10 IKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013675584 556553862 /nfs/dbraw/zinc/55/38/62/556553862.db2.gz KMRIQMOKWPEGQG-UHFFFAOYSA-N 0 0 437.008 6.163 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000408960040 556562656 /nfs/dbraw/zinc/56/26/56/556562656.db2.gz IKEZESDSCIDVRC-HAHDFKILSA-N 0 0 430.573 6.201 40 10 IKCBRN Cc1ccc2[nH]c(Sc3ccc(C=C4SC(=S)N(c5ccccc5)C4=O)o3)nc2c1 ZINC000408962974 556567328 /nfs/dbraw/zinc/56/73/28/556567328.db2.gz WNZXCNRNAIBDMQ-LDADJPATSA-N 0 0 449.582 6.021 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968728 556577604 /nfs/dbraw/zinc/57/76/04/556577604.db2.gz YGWIKAMHTOVYEG-JLPGSUDCSA-N 0 0 427.548 5.485 40 10 IKCBRN CCN1C(=O)/C(=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)c2ccccc2)SC1=S ZINC000036293990 556596210 /nfs/dbraw/zinc/59/62/10/556596210.db2.gz UMXJEPRTNZRTIW-QGNRYMCXSA-N 0 0 446.641 6.146 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1c(C)cccc1C ZINC000408971355 556596858 /nfs/dbraw/zinc/59/68/58/556596858.db2.gz ISKGTNSFDJVNFS-STZFKDTASA-N 0 0 437.465 6.059 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)SC2=S)cc1 ZINC000016292355 556598124 /nfs/dbraw/zinc/59/81/24/556598124.db2.gz AAGZKBPPAWKFSH-UCQKPKSFSA-N 0 0 449.572 6.115 40 10 IKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1CC=C[C@H]21 ZINC000038568700 556614606 /nfs/dbraw/zinc/61/46/06/556614606.db2.gz QMODIBWKRXABQU-ZEVJAHDQSA-N 0 0 442.515 6.317 40 10 IKCBRN Cc1cc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)c(C)n1-c1ccccc1 ZINC000408975178 556615663 /nfs/dbraw/zinc/61/56/63/556615663.db2.gz IXWXJPNRAPYGEZ-FQEVSTJZSA-N 0 0 432.574 5.530 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 ZINC000016678587 556623264 /nfs/dbraw/zinc/62/32/64/556623264.db2.gz HVPHUEJJKKFYMU-UHFFFAOYSA-N 0 0 444.491 5.810 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 ZINC000016678645 556623486 /nfs/dbraw/zinc/62/34/86/556623486.db2.gz AAVCBAKISWEWKA-UHFFFAOYSA-N 0 0 434.521 5.061 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000016678617 556623489 /nfs/dbraw/zinc/62/34/89/556623489.db2.gz NTPOVEWAAPUOHZ-UHFFFAOYSA-N 0 0 430.464 5.502 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016678609 556623496 /nfs/dbraw/zinc/62/34/96/556623496.db2.gz JVSXSIJBOAAPBR-UHFFFAOYSA-N 0 0 430.464 5.502 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033725336 556627423 /nfs/dbraw/zinc/62/74/23/556627423.db2.gz RMDHLJWOYVQVBS-MHHBVAOCSA-N 0 0 439.972 5.413 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000016713248 556630492 /nfs/dbraw/zinc/63/04/92/556630492.db2.gz PVSTUHJLJSYHEA-HZHRSRAPSA-N 0 0 427.460 5.288 40 10 IKCBRN CCOc1ccc(/N=N/c2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 ZINC000016930186 556649348 /nfs/dbraw/zinc/64/93/48/556649348.db2.gz KDKWRQQOSDIUGF-CYYJNZCTSA-N 0 0 427.533 6.123 40 10 IKCBRN CC[C@H](C)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000017095319 556658667 /nfs/dbraw/zinc/65/86/67/556658667.db2.gz UASYUVIHYUYAAC-CCRNYGKSSA-N 0 0 427.342 5.680 40 10 IKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 ZINC000083262031 556662886 /nfs/dbraw/zinc/66/28/86/556662886.db2.gz XMCJCQDAHPZPPD-SFQUDFHCSA-N 0 0 439.338 7.532 40 10 IKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 ZINC000083262033 556662924 /nfs/dbraw/zinc/66/29/24/556662924.db2.gz NMIJNDCUADIEIF-NBVRZTHBSA-N 0 0 449.344 6.988 40 10 IKCBRN O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000083306048 556663215 /nfs/dbraw/zinc/66/32/15/556663215.db2.gz SKHSKLGAAOOKQM-RIYZIHGNSA-N 0 0 443.764 5.193 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)c1 ZINC000408760478 556687225 /nfs/dbraw/zinc/68/72/25/556687225.db2.gz ZGABQRUFVWOGIE-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000408760536 556687237 /nfs/dbraw/zinc/68/72/37/556687237.db2.gz AJIXBTZBNSQTRW-KGENOOAVSA-N 0 0 445.946 6.445 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408761371 556687846 /nfs/dbraw/zinc/68/78/46/556687846.db2.gz IYRHXIFLFAVRPC-XIEYBQDHSA-N 0 0 442.515 5.327 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)c1 ZINC000408761342 556687871 /nfs/dbraw/zinc/68/78/71/556687871.db2.gz IPZYPQRWEQHCMU-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408761956 556688052 /nfs/dbraw/zinc/68/80/52/556688052.db2.gz IGHKFMYJFUISQR-DEDYPNTBSA-N 0 0 438.270 5.736 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1 ZINC000408987063 556689104 /nfs/dbraw/zinc/68/91/04/556689104.db2.gz VFWJQABAJSWYLI-CAPFRKAQSA-N 0 0 446.344 6.319 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccco3)C2=O)cc1Br ZINC000408987090 556689189 /nfs/dbraw/zinc/68/91/89/556689189.db2.gz VOSGOFZXZVDWGQ-QGOAFFKASA-N 0 0 436.305 5.912 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408987806 556693280 /nfs/dbraw/zinc/69/32/80/556693280.db2.gz YJUHWQPWTFDBEC-XMHGGMMESA-N 0 0 436.338 6.863 40 10 IKCBRN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1 ZINC000000799738 556695761 /nfs/dbraw/zinc/69/57/61/556695761.db2.gz MKVICTMTYWJDCW-XLNRJJMWSA-N 0 0 425.484 5.343 40 10 IKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000070453901 556699879 /nfs/dbraw/zinc/69/98/79/556699879.db2.gz FTAXGPLNJKXNQY-UHFFFAOYSA-N 0 0 444.487 5.733 40 10 IKCBRN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1ccccc1Cl ZINC000070453916 556699972 /nfs/dbraw/zinc/69/99/72/556699972.db2.gz LHGSYFBDHFWWNQ-UHFFFAOYSA-N 0 0 446.934 6.496 40 10 IKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1ccc(F)cc1 ZINC000070453897 556700046 /nfs/dbraw/zinc/70/00/46/556700046.db2.gz VYZRJUMDQSRNAY-UHFFFAOYSA-N 0 0 444.506 6.372 40 10 IKCBRN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2=O)cc1 ZINC000085880086 556708435 /nfs/dbraw/zinc/70/84/35/556708435.db2.gz MYEUUXSFZCEDQF-DNOBIOAJSA-N 0 0 433.548 5.575 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OCC ZINC000408995801 556709490 /nfs/dbraw/zinc/70/94/90/556709490.db2.gz DWUUPKKGISJWRG-JCMHNJIXSA-N 0 0 449.547 5.368 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408997161 556709785 /nfs/dbraw/zinc/70/97/85/556709785.db2.gz LIUKXEPIRGEUDN-QJOMJCCJSA-N 0 0 433.548 5.650 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000409002459 556711985 /nfs/dbraw/zinc/71/19/85/556711985.db2.gz ZZUMPBSYGYLRPM-HMMYKYKNSA-N 0 0 428.944 6.698 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409008229 556714106 /nfs/dbraw/zinc/71/41/06/556714106.db2.gz WWHWPFWRCMXHBA-JCMHNJIXSA-N 0 0 447.516 5.281 40 10 IKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409012242 556715645 /nfs/dbraw/zinc/71/56/45/556715645.db2.gz KARSCVUNOMKYMU-WBFOAEISSA-N 0 0 442.968 5.081 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000409013212 556716375 /nfs/dbraw/zinc/71/63/75/556716375.db2.gz MHBKITQHIJZHJV-VYVDHXHBSA-N 0 0 440.565 5.205 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409014475 556716708 /nfs/dbraw/zinc/71/67/08/556716708.db2.gz PMZHJHMIAAXLGF-UCQKPKSFSA-N 0 0 446.934 5.625 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409019538 556722426 /nfs/dbraw/zinc/72/24/26/556722426.db2.gz ZPSYTOGJCHOTBM-UCQKPKSFSA-N 0 0 444.531 5.177 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409020425 556722991 /nfs/dbraw/zinc/72/29/91/556722991.db2.gz PCXAULRFBGFSDD-JLPGSUDCSA-N 0 0 440.543 5.588 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409023159 556724939 /nfs/dbraw/zinc/72/49/39/556724939.db2.gz WOGFPZOTABGMJZ-ULJHMMPZSA-N 0 0 425.484 5.143 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000409023818 556725277 /nfs/dbraw/zinc/72/52/77/556725277.db2.gz QWVGBSSZDFYRML-NVNXTCNLSA-N 0 0 436.722 5.832 40 10 IKCBRN CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)S1 ZINC000409024978 556725852 /nfs/dbraw/zinc/72/58/52/556725852.db2.gz OOXLMGUMNFRCMN-MTJSOVHGSA-N 0 0 436.920 5.179 40 10 IKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OCC ZINC000409030713 556728608 /nfs/dbraw/zinc/72/86/08/556728608.db2.gz FAIAONIUZCMAIT-PXNMLYILSA-N 0 0 444.416 5.104 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1sccc1Br ZINC000409031814 556730000 /nfs/dbraw/zinc/73/00/00/556730000.db2.gz BLUBWXLGBKJJLV-GQCTYLIASA-N 0 0 437.187 5.012 40 10 IKCBRN CCCCCCC1N(Cc2cccc(OC)c2O)CCCN1Cc1cccc(OC)c1O ZINC000019325980 556736493 /nfs/dbraw/zinc/73/64/93/556736493.db2.gz MMABJZRWKBQTIS-UHFFFAOYSA-N 0 0 442.600 5.119 40 10 IKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC000000924775 556752296 /nfs/dbraw/zinc/75/22/96/556752296.db2.gz CFPXJYVYFXQNOG-UHFFFAOYSA-N 0 0 435.524 5.678 40 10 IKCBRN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c(C)c1 ZINC000000924773 556752356 /nfs/dbraw/zinc/75/23/56/556752356.db2.gz KFNPVQVOCZNSAL-UHFFFAOYSA-N 0 0 435.524 5.678 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409050035 556754569 /nfs/dbraw/zinc/75/45/69/556754569.db2.gz SDOMJECHEVUXFN-MTJSOVHGSA-N 0 0 445.581 5.661 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409058543 556756075 /nfs/dbraw/zinc/75/60/75/556756075.db2.gz YHRGGABDUDKQPP-KQWNVCNZSA-N 0 0 432.564 5.408 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409051587 556756983 /nfs/dbraw/zinc/75/69/83/556756983.db2.gz DFCUMANDDKBFFM-XYGWBWBKSA-N 0 0 440.543 5.588 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1Br ZINC000409051566 556757051 /nfs/dbraw/zinc/75/70/51/556757051.db2.gz BGOVOSIKRGCMFX-QGOAFFKASA-N 0 0 449.300 6.231 40 10 IKCBRN CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000409053566 556757719 /nfs/dbraw/zinc/75/77/19/556757719.db2.gz ZTNVDECZUITDDI-YVLHZVERSA-N 0 0 438.401 6.102 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000409054571 556757948 /nfs/dbraw/zinc/75/79/48/556757948.db2.gz SIHYHBLZRDJRON-NDENLUEZSA-N 0 0 425.962 6.310 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409061297 556759445 /nfs/dbraw/zinc/75/94/45/556759445.db2.gz CREPLGFLSMSBEF-JCMHNJIXSA-N 0 0 444.506 5.419 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409061037 556759479 /nfs/dbraw/zinc/75/94/79/556759479.db2.gz ZPCORYYPLNIBRI-JLPGSUDCSA-N 0 0 432.564 5.408 40 10 IKCBRN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3C)n2Cc2ccco2)cc1 ZINC000001328796 556773628 /nfs/dbraw/zinc/77/36/28/556773628.db2.gz SBONUHXVMPFUKY-UHFFFAOYSA-N 0 0 447.560 5.548 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409071060 556774584 /nfs/dbraw/zinc/77/45/84/556774584.db2.gz NALOLRLRNHJRNB-FYJGNVAPSA-N 0 0 437.326 6.379 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409092813 556792724 /nfs/dbraw/zinc/79/27/24/556792724.db2.gz ZHDMDZVLWHOATH-YDZHTSKRSA-N 0 0 442.906 5.393 40 10 IKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409099327 556795350 /nfs/dbraw/zinc/79/53/50/556795350.db2.gz LBYYVHBSOKTAOS-NDENLUEZSA-N 0 0 425.351 5.942 40 10 IKCBRN CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000006481163 556834039 /nfs/dbraw/zinc/83/40/39/556834039.db2.gz GXTFHJOBWUVDER-GZTJUZNOSA-N 0 0 433.335 5.987 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409128453 556839366 /nfs/dbraw/zinc/83/93/66/556839366.db2.gz FANUYVJHNGARLR-NDENLUEZSA-N 0 0 441.021 6.127 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409129130 556840069 /nfs/dbraw/zinc/84/00/69/556840069.db2.gz IVCJTXWESYLFAX-SSDVNMTOSA-N 0 0 438.549 5.439 40 10 IKCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O ZINC000409130680 556841787 /nfs/dbraw/zinc/84/17/87/556841787.db2.gz UDCLWZQDENTQIJ-YVLHZVERSA-N 0 0 433.371 5.530 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccc1F ZINC000409131056 556842050 /nfs/dbraw/zinc/84/20/50/556842050.db2.gz JMSGRYJWLSLKSF-XQNSMLJCSA-N 0 0 434.536 5.902 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1)c1ccccc1 ZINC000409132240 556842763 /nfs/dbraw/zinc/84/27/63/556842763.db2.gz ZSFUUDKATGYCKY-STZFKDTASA-N 0 0 448.931 5.319 40 10 IKCBRN COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1 ZINC000408768203 556846947 /nfs/dbraw/zinc/84/69/47/556846947.db2.gz UUNHYEPQIVZFIW-KGENOOAVSA-N 0 0 440.455 5.161 40 10 IKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408771890 556847629 /nfs/dbraw/zinc/84/76/29/556847629.db2.gz JWWNUFBELSSRCR-PXLXIMEGSA-N 0 0 426.472 5.379 40 10 IKCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408773516 556848239 /nfs/dbraw/zinc/84/82/39/556848239.db2.gz LNJAZXXHZQMDTC-FOKLQQMPSA-N 0 0 432.589 5.886 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409137192 556850409 /nfs/dbraw/zinc/85/04/09/556850409.db2.gz UMWZIUGFNURRJJ-PCLIKHOPSA-N 0 0 444.600 6.864 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000408780292 556854357 /nfs/dbraw/zinc/85/43/57/556854357.db2.gz AQSNBQXMLHPPQK-LTGZKZEYSA-N 0 0 425.488 5.441 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 ZINC000408789183 556855966 /nfs/dbraw/zinc/85/59/66/556855966.db2.gz KMSKHJAAOJBVNH-GTWFGUSFSA-N 0 0 431.605 5.819 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408790400 556856197 /nfs/dbraw/zinc/85/61/97/556856197.db2.gz PQCXGOAFQTXVFJ-STZFKDTASA-N 0 0 433.891 5.466 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1OCC ZINC000408793071 556856978 /nfs/dbraw/zinc/85/69/78/556856978.db2.gz CXCAEZPWMPDXLP-QNGOZBTKSA-N 0 0 435.520 5.060 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408840468 556867187 /nfs/dbraw/zinc/86/71/87/556867187.db2.gz BYWWKZWWFNWYKB-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000408839874 556867256 /nfs/dbraw/zinc/86/72/56/556867256.db2.gz BBTXILWGLLPYQZ-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408841321 556867383 /nfs/dbraw/zinc/86/73/83/556867383.db2.gz GGSSTINSPHRSGL-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000408841179 556867409 /nfs/dbraw/zinc/86/74/09/556867409.db2.gz FWNXGRUORQZELJ-XMHGGMMESA-N 0 0 433.851 5.091 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1cccc(Br)c1 ZINC000408844023 556868434 /nfs/dbraw/zinc/86/84/34/556868434.db2.gz OHNQJWYWSJWAKE-KGENOOAVSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2)cc1 ZINC000408843473 556869884 /nfs/dbraw/zinc/86/98/84/556869884.db2.gz MYJJXWKXLKBEQY-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000409149997 556876722 /nfs/dbraw/zinc/87/67/22/556876722.db2.gz XTZQBPDTLXZCHZ-QHCPKHFHSA-N 0 0 449.597 5.246 40 10 IKCBRN CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408876786 556876914 /nfs/dbraw/zinc/87/69/14/556876914.db2.gz QWAYZFLIWAIVMG-UHFFFAOYSA-N 0 0 442.540 5.222 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408877821 556877251 /nfs/dbraw/zinc/87/72/51/556877251.db2.gz YRLNLBYRFSFFGH-XYGWBWBKSA-N 0 0 440.543 5.588 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 ZINC000409155800 556879815 /nfs/dbraw/zinc/87/98/15/556879815.db2.gz CSZCQBFHUXZGDM-WTOJCKNJSA-N 0 0 431.286 5.201 40 10 IKCBRN Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000409156404 556880367 /nfs/dbraw/zinc/88/03/67/556880367.db2.gz NQISHTXTDGPYNQ-WZOHSFFVSA-N 0 0 448.429 7.568 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408901282 556882498 /nfs/dbraw/zinc/88/24/98/556882498.db2.gz DBIPYWOLJWUZHX-HZHRSRAPSA-N 0 0 432.614 6.623 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408901396 556882546 /nfs/dbraw/zinc/88/25/46/556882546.db2.gz DYSLQDRKFNZCCN-OQLLNIDSSA-N 0 0 442.258 5.968 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OC(C)C ZINC000408904234 556883567 /nfs/dbraw/zinc/88/35/67/556883567.db2.gz GVZYPKMXLWPPBZ-LICLKQGHSA-N 0 0 429.314 5.051 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000409157954 556885232 /nfs/dbraw/zinc/88/52/32/556885232.db2.gz QSVHYYHCRLBXIH-UZINWLIJSA-N 0 0 428.557 7.022 40 10 IKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 ZINC000408902810 556885509 /nfs/dbraw/zinc/88/55/09/556885509.db2.gz RQDRSGHVCUXWBA-KGENOOAVSA-N 0 0 448.569 5.287 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408903183 556885820 /nfs/dbraw/zinc/88/58/20/556885820.db2.gz VHRZLNQGJKACBA-CIAFOILYSA-N 0 0 439.005 6.462 40 10 IKCBRN COc1ccc(N2CCN(C(=O)c3ccc(CSCc4ccccc4)cc3)CC2)cc1 ZINC000408921282 556891081 /nfs/dbraw/zinc/89/10/81/556891081.db2.gz FTFMYGQASDYVDZ-UHFFFAOYSA-N 0 0 432.589 5.091 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000408931068 556894491 /nfs/dbraw/zinc/89/44/91/556894491.db2.gz GRWJEEZVXVSZJZ-XKZIYDEJSA-N 0 0 433.939 5.457 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408935720 556895714 /nfs/dbraw/zinc/89/57/14/556895714.db2.gz DMYISFQIMUVFMU-XIEYBQDHSA-N 0 0 446.506 5.861 40 10 IKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1 ZINC000408975212 556905688 /nfs/dbraw/zinc/90/56/88/556905688.db2.gz KKXNKHMALWHJLI-UHFFFAOYSA-N 0 0 449.513 7.495 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408978416 556906568 /nfs/dbraw/zinc/90/65/68/556906568.db2.gz ZPRHYROTDAYVQV-UYRXBGFRSA-N 0 0 426.310 5.025 40 10 IKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 ZINC000408985020 556909029 /nfs/dbraw/zinc/90/90/29/556909029.db2.gz KKGAMOVKIGTFMI-UDWIEESQSA-N 0 0 434.322 6.667 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000408986623 556909641 /nfs/dbraw/zinc/90/96/41/556909641.db2.gz RPGAFSXVYXRHOB-SFQUDFHCSA-N 0 0 437.282 6.373 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000408987011 556909775 /nfs/dbraw/zinc/90/97/75/556909775.db2.gz UKGNTNJLQAXZOR-CJLVFECKSA-N 0 0 445.946 6.214 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408987416 556910239 /nfs/dbraw/zinc/91/02/39/556910239.db2.gz XNLDESFVQHPAQZ-RCCKNPSSSA-N 0 0 426.472 5.773 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C(=O)OC)C2=O)cc1 ZINC000408987895 556910241 /nfs/dbraw/zinc/91/02/41/556910241.db2.gz ZQZVLVNVAWHLOJ-HEHNFIMWSA-N 0 0 425.484 5.343 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 ZINC000408996190 556912156 /nfs/dbraw/zinc/91/21/56/556912156.db2.gz ORLOLXLSRHLPGT-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408998789 556913535 /nfs/dbraw/zinc/91/35/35/556913535.db2.gz CEHXYBXVLQQRGI-CDXHUHTNSA-N 0 0 444.535 6.382 40 10 IKCBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408998241 556913552 /nfs/dbraw/zinc/91/35/52/556913552.db2.gz INIKZTCEHXIZFU-MTJSOVHGSA-N 0 0 438.549 5.301 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000409002075 556914773 /nfs/dbraw/zinc/91/47/73/556914773.db2.gz SHTIHRGOZJWSLZ-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409012230 556918403 /nfs/dbraw/zinc/91/84/03/556918403.db2.gz JYVNBGNAZDLPSM-AUQXIXNCSA-N 0 0 442.968 5.081 40 10 IKCBRN O=C1/C(=C/c2cccn2-c2cccc(Br)c2)SC(=S)N1c1ccccc1 ZINC000409020537 556921658 /nfs/dbraw/zinc/92/16/58/556921658.db2.gz QGWCNCDGGLGFBL-AQTBWJFISA-N 0 0 441.375 5.646 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409020963 556921988 /nfs/dbraw/zinc/92/19/88/556921988.db2.gz WGRHUVPRPNWJSO-SKCQWOFPSA-N 0 0 446.956 5.044 40 10 IKCBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409021774 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/nfs/dbraw/zinc/12/80/89/557128089.db2.gz PCFHDAFJMOJMQH-LDADJPATSA-N 0 0 448.407 5.639 40 10 IKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000409349800 557128438 /nfs/dbraw/zinc/12/84/38/557128438.db2.gz WFFSSVBDCBLILE-MHWRWJLKSA-N 0 0 438.343 5.393 40 10 IKCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408706671 557128812 /nfs/dbraw/zinc/12/88/12/557128812.db2.gz CCPCMLGVXFMYCD-INIZCTEOSA-N 0 0 442.346 5.393 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S ZINC000409352745 557133290 /nfs/dbraw/zinc/13/32/90/557133290.db2.gz YZTDWFGPOQMBCZ-MOSHPQCFSA-N 0 0 440.590 5.049 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 ZINC000409367209 557138052 /nfs/dbraw/zinc/13/80/52/557138052.db2.gz KJAHELCWZKNYLJ-MFOYZWKCSA-N 0 0 430.287 5.073 40 10 IKCBRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000409369386 557138221 /nfs/dbraw/zinc/13/82/21/557138221.db2.gz LSDLGZDMNLQQMK-NTUHNPAUSA-N 0 0 444.390 5.301 40 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ZINC000408734561 557142006 /nfs/dbraw/zinc/14/20/06/557142006.db2.gz IACBRPDOYFKMPW-UHFFFAOYSA-N 0 0 447.560 5.527 40 10 IKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000408734770 557142375 /nfs/dbraw/zinc/14/23/75/557142375.db2.gz JNQHTEITWHQZER-UHFFFAOYSA-N 0 0 431.605 7.136 40 10 IKCBRN CN(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000408735959 557143291 /nfs/dbraw/zinc/14/32/91/557143291.db2.gz YSIGSHMPWBTROS-UHFFFAOYSA-N 0 0 444.563 6.923 40 10 IKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 ZINC000408736102 557143649 /nfs/dbraw/zinc/14/36/49/557143649.db2.gz FJHKGAIDHMOICQ-ALTZYDRJSA-N 0 0 448.522 7.154 40 10 IKCBRN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 ZINC000408736163 557143858 /nfs/dbraw/zinc/14/38/58/557143858.db2.gz JAUFSZHKDNDTTG-ALTZYDRJSA-N 0 0 437.970 7.899 40 10 IKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@@H]21 ZINC000408736143 557143890 /nfs/dbraw/zinc/14/38/90/557143890.db2.gz HXANXKHCNXPLMA-WDUKFBBWSA-N 0 0 428.326 5.461 40 10 IKCBRN Clc1cccc2c1N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736204 557143919 /nfs/dbraw/zinc/14/39/19/557143919.db2.gz LAHXRZLTIBXAOH-QQNWGBJXSA-N 0 0 437.970 7.899 40 10 IKCBRN CCOc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736179 557143991 /nfs/dbraw/zinc/14/39/91/557143991.db2.gz JVBRPMAVXNBBLK-VHSZZVNMSA-N 0 0 449.953 7.283 40 10 IKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736428 557144213 /nfs/dbraw/zinc/14/42/13/557144213.db2.gz SEHPPPYXVDYVJB-SLSDLSHTSA-N 0 0 443.459 5.909 40 10 IKCBRN Clc1ccc(COc2ccc([C@@H]3Nc4c5ccccc5ccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736434 557144229 /nfs/dbraw/zinc/14/42/29/557144229.db2.gz SOZAVCJVOHDHDT-PBWSGDRGSA-N 0 0 437.970 7.899 40 10 IKCBRN CC(C)COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736476 557144234 /nfs/dbraw/zinc/14/42/34/557144234.db2.gz VIZKGFAXOJOSPP-DXIQSLLYSA-N 0 0 445.344 6.153 40 10 IKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000408737224 557144761 /nfs/dbraw/zinc/14/47/61/557144761.db2.gz AOVXRJIGEMBTLH-LTGZKZEYSA-N 0 0 440.455 5.243 40 10 IKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408737882 557145617 /nfs/dbraw/zinc/14/56/17/557145617.db2.gz YXNPWCNKTSFSTO-ZPSYUOPISA-N 0 0 426.560 6.889 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408737961 557145686 /nfs/dbraw/zinc/14/56/86/557145686.db2.gz LSRJIXWIRCGURQ-KGENOOAVSA-N 0 0 447.332 5.834 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c(OC)c1 ZINC000408741154 557149442 /nfs/dbraw/zinc/14/94/42/557149442.db2.gz HCLZIHRNDBDTLT-SFQUDFHCSA-N 0 0 428.326 5.285 40 10 IKCBRN CC(=O)Oc1c(Cl)cc(Br)cc1/C=C1/C=C(c2ccc(C)cc2)OC1=O ZINC000408742120 557150045 /nfs/dbraw/zinc/15/00/45/557150045.db2.gz NCLJWKVSPLODBE-CHHVJCJISA-N 0 0 433.685 5.318 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000408742496 557150413 /nfs/dbraw/zinc/15/04/13/557150413.db2.gz PHLYQKJBFQTSSS-RVDMUPIBSA-N 0 0 427.681 6.344 40 10 IKCBRN CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000006353538 557150814 /nfs/dbraw/zinc/15/08/14/557150814.db2.gz FXSJOFUVHJHZGU-UDWIEESQSA-N 0 0 426.994 5.873 40 10 IKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743415 557151025 /nfs/dbraw/zinc/15/10/25/557151025.db2.gz TVGMPIJAKMORMO-CPNJWEJPSA-N 0 0 433.847 5.809 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000408744619 557151779 /nfs/dbraw/zinc/15/17/79/557151779.db2.gz YXBDHLKINWSHDI-LDADJPATSA-N 0 0 444.399 5.585 40 10 IKCBRN CCOc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000408744504 557151914 /nfs/dbraw/zinc/15/19/14/557151914.db2.gz YGSHGWQQHBBSOQ-RIYZIHGNSA-N 0 0 435.701 5.491 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 ZINC000106702833 557157992 /nfs/dbraw/zinc/15/79/92/557157992.db2.gz CYOFQGYTCWRZCW-UCQKPKSFSA-N 0 0 432.545 5.648 40 10 IKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000106704257 557158198 /nfs/dbraw/zinc/15/81/98/557158198.db2.gz VTXKFZSRKBXZHW-WQRHYEAKSA-N 0 0 431.355 5.060 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(C)cc2)cc1 ZINC000408751963 557160337 /nfs/dbraw/zinc/16/03/37/557160337.db2.gz ATWOVHVXUCWKCH-LPYMAVHISA-N 0 0 437.326 6.145 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408755921 557161078 /nfs/dbraw/zinc/16/10/78/557161078.db2.gz NUZXRMQGPMUMMB-KGENOOAVSA-N 0 0 442.515 6.281 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000408752797 557162262 /nfs/dbraw/zinc/16/22/62/557162262.db2.gz CIXUOYDXJSZKMN-XDHOZWIPSA-N 0 0 447.288 5.012 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000408752988 557163680 /nfs/dbraw/zinc/16/36/80/557163680.db2.gz DUULOJOMJDCSNK-RGVLZGJSSA-N 0 0 427.262 5.673 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Br)cc2)c1 ZINC000408753407 557164287 /nfs/dbraw/zinc/16/42/87/557164287.db2.gz IQDFMKUZWIKHNO-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(F)cc2)cc1 ZINC000408753793 557165010 /nfs/dbraw/zinc/16/50/10/557165010.db2.gz NVZOKOMGMCAUMK-NLRVBDNBSA-N 0 0 436.486 6.212 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Br)c2)c1 ZINC000408755471 557167730 /nfs/dbraw/zinc/16/77/30/557167730.db2.gz QFPKLDDOTYYMMC-FYJGNVAPSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 ZINC000408755998 557167740 /nfs/dbraw/zinc/16/77/40/557167740.db2.gz XCIQUQZLSYINAR-UDWIEESQSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408756475 557168434 /nfs/dbraw/zinc/16/84/34/557168434.db2.gz 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Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 ZINC000113834989 557307560 /nfs/dbraw/zinc/30/75/60/557307560.db2.gz JCMUOVFCKGPBKP-YBFXNURJSA-N 0 0 440.477 5.708 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)SC2=S)cc1 ZINC000113836758 557307612 /nfs/dbraw/zinc/30/76/12/557307612.db2.gz FKFQCQRGRMZDKY-CPNJWEJPSA-N 0 0 439.583 6.154 40 10 IKCBRN O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccccc1F ZINC000113837160 557307831 /nfs/dbraw/zinc/30/78/31/557307831.db2.gz GKGHAFVGQWZXCW-MKMNVTDBSA-N 0 0 429.281 5.447 40 10 IKCBRN O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000113837509 557307837 /nfs/dbraw/zinc/30/78/37/557307837.db2.gz FNFJALNLMSWJJK-LHHJGKSTSA-N 0 0 429.281 5.447 40 10 IKCBRN CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000113855428 557308363 /nfs/dbraw/zinc/30/83/63/557308363.db2.gz KSZWPKVXNJXWGE-GZTJUZNOSA-N 0 0 429.314 5.053 40 10 IKCBRN CC[C@@H](C)c1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033391787 557320461 /nfs/dbraw/zinc/32/04/61/557320461.db2.gz FUORUULZHCKFKL-VULIGXMUSA-N 0 0 441.618 5.879 40 10 IKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=S)SC)c2-c2ccccc2)cc1 ZINC000104225412 557322389 /nfs/dbraw/zinc/32/23/89/557322389.db2.gz MPWQLFANXPAMSL-QPLCGJKRSA-N 0 0 444.585 7.137 40 10 IKCBRN S=C(S)n1nc(-c2ccccc2)c(/N=N\c2cccc(Cl)c2)c1-c1ccccc1 ZINC000104225372 557322468 /nfs/dbraw/zinc/32/24/68/557322468.db2.gz YFPYVHIGODSLIT-IZHYLOQSSA-N 0 0 434.977 7.349 40 10 IKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccc(Br)cc2)c1C ZINC000104223405 557322475 /nfs/dbraw/zinc/32/24/75/557322475.db2.gz WXPLEQHSOIFUEZ-MRCUWXFGSA-N 0 0 431.384 6.532 40 10 IKCBRN CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000222564447 557353035 /nfs/dbraw/zinc/35/30/35/557353035.db2.gz LMHVREAQTTVUFE-UHFFFAOYSA-N 0 0 448.998 6.077 40 10 IKCBRN CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222564534 557353374 /nfs/dbraw/zinc/35/33/74/557353374.db2.gz UOZNYPQWQBKICJ-UHFFFAOYSA-N 0 0 448.998 6.077 40 10 IKCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(I)cc1C ZINC000013590190 557356296 /nfs/dbraw/zinc/35/62/96/557356296.db2.gz FCIHHLBYJDNMAM-WJDWOHSUSA-N 0 0 433.318 5.119 40 10 IKCBRN C[C@H](/N=N/c1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 ZINC000013590283 557356460 /nfs/dbraw/zinc/35/64/60/557356460.db2.gz ZWWNOSDBXWVQHM-AVGDDSQUSA-N 0 0 444.560 6.143 40 10 IKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc21 ZINC000222589415 557357099 /nfs/dbraw/zinc/35/70/99/557357099.db2.gz CEZFZHAFRFTQNL-ITEAAPOESA-N 0 0 439.028 5.956 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222617640 557362710 /nfs/dbraw/zinc/36/27/10/557362710.db2.gz YOXWRAWYOHEFBP-YRUKQIKQSA-N 0 0 431.609 5.144 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000222619857 557363240 /nfs/dbraw/zinc/36/32/40/557363240.db2.gz JLYLNPTXAPLXNM-FNVCAUGXSA-N 0 0 437.012 6.040 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 ZINC000222696084 557375147 /nfs/dbraw/zinc/37/51/47/557375147.db2.gz UDGOQJBMROSJDX-NIJXNBFTSA-N 0 0 430.621 6.031 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222695873 557375173 /nfs/dbraw/zinc/37/51/73/557375173.db2.gz LVNZTOWCSSOPBQ-ZPZUNKDASA-N 0 0 430.621 6.031 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222699594 557375799 /nfs/dbraw/zinc/37/57/99/557375799.db2.gz MMCNJHRNFCOQIE-NTUVXCKYSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 ZINC000222701651 557376095 /nfs/dbraw/zinc/37/60/95/557376095.db2.gz MPWKEGTUXPTTDJ-GAZXMLTASA-N 0 0 446.576 5.197 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 ZINC000222701265 557376107 /nfs/dbraw/zinc/37/61/07/557376107.db2.gz QSCSLAKOKQHGPC-QUURXOELSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 ZINC000222701135 557376110 /nfs/dbraw/zinc/37/61/10/557376110.db2.gz QSCSLAKOKQHGPC-GRYUFTJMSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 ZINC000222700871 557376164 /nfs/dbraw/zinc/37/61/64/557376164.db2.gz NFAFOEULHVJDBZ-KSNOWIBYSA-N 0 0 430.621 6.085 40 10 IKCBRN Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616586 557378139 /nfs/dbraw/zinc/37/81/39/557378139.db2.gz IKGQRFWXNVPSIE-OXJNMPFZSA-N 0 0 427.323 5.459 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000222720645 557378969 /nfs/dbraw/zinc/37/89/69/557378969.db2.gz RIMUFWNIKJTAIM-KNXBSLHKSA-N 0 0 427.017 5.623 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000222720519 557379014 /nfs/dbraw/zinc/37/90/14/557379014.db2.gz RIMUFWNIKJTAIM-WQTXXOFMSA-N 0 0 427.017 5.623 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000222737778 557381443 /nfs/dbraw/zinc/38/14/43/557381443.db2.gz CPPPPYHVMOMXQF-WOJBJXKFSA-N 0 0 430.499 5.110 40 10 IKCBRN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639384 557384569 /nfs/dbraw/zinc/38/45/69/557384569.db2.gz ALUHAIVAFPIWOB-DXIQSLLYSA-N 0 0 425.370 5.758 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000222770529 557384677 /nfs/dbraw/zinc/38/46/77/557384677.db2.gz JBLBHNZIQDQURV-SFTDATJTSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000222770578 557384688 /nfs/dbraw/zinc/38/46/88/557384688.db2.gz JBLBHNZIQDQURV-RTWAWAEBSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000222770688 557385051 /nfs/dbraw/zinc/38/50/51/557385051.db2.gz JBLBHNZIQDQURV-NHCUHLMSSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222791786 557387374 /nfs/dbraw/zinc/38/73/74/557387374.db2.gz XDCSIVILOGXIOD-FGZHOGPDSA-N 0 0 425.001 5.443 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222791601 557387382 /nfs/dbraw/zinc/38/73/82/557387382.db2.gz XDCSIVILOGXIOD-VXKWHMMOSA-N 0 0 425.001 5.443 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc21 ZINC000222825786 557390759 /nfs/dbraw/zinc/39/07/59/557390759.db2.gz UBUUNYCRCJQQGR-FTJBHMTQSA-N 0 0 440.616 6.023 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222829916 557391060 /nfs/dbraw/zinc/39/10/60/557391060.db2.gz NOTFCFYTZJFMCF-VXKWHMMOSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222829584 557391098 /nfs/dbraw/zinc/39/10/98/557391098.db2.gz KPVLCQJOJVBJDR-FCHUYYIVSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222835259 557391516 /nfs/dbraw/zinc/39/15/16/557391516.db2.gz JBJWVOCMAGRSQX-ZCYQVOJMSA-N 0 0 432.637 5.795 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1C ZINC000222835423 557391926 /nfs/dbraw/zinc/39/19/26/557391926.db2.gz GMRQUPKNLQDCHM-PKTZIBPZSA-N 0 0 439.028 5.832 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1C ZINC000222835540 557391962 /nfs/dbraw/zinc/39/19/62/557391962.db2.gz GMRQUPKNLQDCHM-GOTSBHOMSA-N 0 0 439.028 5.832 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000222862239 557395586 /nfs/dbraw/zinc/39/55/86/557395586.db2.gz OVKVSWIAFFBOTG-VXKWHMMOSA-N 0 0 441.044 5.749 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222870803 557396290 /nfs/dbraw/zinc/39/62/90/557396290.db2.gz GRVUQCXBCDRMRR-CLJLJLNGSA-N 0 0 440.616 6.025 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222874118 557396336 /nfs/dbraw/zinc/39/63/36/557396336.db2.gz YTYBKBREKSJABO-YADHBBJMSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000222880406 557397190 /nfs/dbraw/zinc/39/71/90/557397190.db2.gz KSYBSAWPDKKONL-NOZRDPDXSA-N 0 0 432.637 5.797 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222920160 557402868 /nfs/dbraw/zinc/40/28/68/557402868.db2.gz WLAWGPRPRFPDFT-GOTSBHOMSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222920297 557402909 /nfs/dbraw/zinc/40/29/09/557402909.db2.gz JABHMNBXAWXYLW-PKTZIBPZSA-N 0 0 439.028 5.771 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222922142 557403083 /nfs/dbraw/zinc/40/30/83/557403083.db2.gz GFLQYFPKNIFGFL-RPWUZVMVSA-N 0 0 434.609 5.126 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222922278 557403150 /nfs/dbraw/zinc/40/31/50/557403150.db2.gz GFLQYFPKNIFGFL-ZEQRLZLVSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222923254 557403397 /nfs/dbraw/zinc/40/33/97/557403397.db2.gz ZZUCHADNVQAHLC-LOSJGSFVSA-N 0 0 447.652 5.184 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C)c1C ZINC000222924263 557403572 /nfs/dbraw/zinc/40/35/72/557403572.db2.gz NVWJVFAIAPZSCL-LOSJGSFVSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)ccc1C ZINC000222924573 557403602 /nfs/dbraw/zinc/40/36/02/557403602.db2.gz XIQROCKVNOGWQP-DQEYMECFSA-N 0 0 432.637 5.734 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000222963168 557408668 /nfs/dbraw/zinc/40/86/68/557408668.db2.gz APRKXKXLGNMMSJ-DQEYMECFSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222964688 557408943 /nfs/dbraw/zinc/40/89/43/557408943.db2.gz BYPBIKMZPNPRMC-DHIUTWEWSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222965036 557409029 /nfs/dbraw/zinc/40/90/29/557409029.db2.gz OKEYUWIUNVVXKE-GOTSBHOMSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222964949 557409048 /nfs/dbraw/zinc/40/90/48/557409048.db2.gz DIACPPVACDFESU-DHIUTWEWSA-N 0 0 439.028 5.915 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222966983 557409252 /nfs/dbraw/zinc/40/92/52/557409252.db2.gz GBXYAGUTONAEIG-DNQXCXABSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222966812 557409301 /nfs/dbraw/zinc/40/93/01/557409301.db2.gz GBXYAGUTONAEIG-ZEQRLZLVSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000222969448 557409482 /nfs/dbraw/zinc/40/94/82/557409482.db2.gz MHEGPEGCIWGXKB-NOZRDPDXSA-N 0 0 432.637 5.879 40 10 IKCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000223014731 557415560 /nfs/dbraw/zinc/41/55/60/557415560.db2.gz XWYUATCBCJDGMJ-ILBGXUMGSA-N 0 0 448.636 5.033 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C ZINC000223052162 557421881 /nfs/dbraw/zinc/42/18/81/557421881.db2.gz VPFRECQFFDFVDQ-DQEYMECFSA-N 0 0 448.636 5.061 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 ZINC000223052416 557421898 /nfs/dbraw/zinc/42/18/98/557421898.db2.gz LCKDNCRRLTUFOL-DQEYMECFSA-N 0 0 448.636 5.061 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223058131 557422961 /nfs/dbraw/zinc/42/29/61/557422961.db2.gz KYFXBLBAPWNTFU-RPBOFIJWSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223058497 557422973 /nfs/dbraw/zinc/42/29/73/557422973.db2.gz VTLGRSSVIXCKKW-ILBGXUMGSA-N 0 0 448.636 5.115 40 10 IKCBRN COc1ccc(N2CCN([C@H](C(=O)c3c(C)[nH]c4ccccc43)c3ccccc3)CC2)cc1 ZINC000014163167 557424668 /nfs/dbraw/zinc/42/46/68/557424668.db2.gz RUDKSBDRSNXUIJ-MHZLTWQESA-N 0 0 439.559 5.231 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 ZINC000223086874 557429201 /nfs/dbraw/zinc/42/92/01/557429201.db2.gz PSOWXIVHAQFIHS-DNQXCXABSA-N 0 0 431.609 5.189 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C ZINC000223094627 557430551 /nfs/dbraw/zinc/43/05/51/557430551.db2.gz ZLIXWXLEUUZJDC-IZZNHLLZSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000223096686 557431025 /nfs/dbraw/zinc/43/10/25/557431025.db2.gz FMOYTWQTKSZMLA-RPBOFIJWSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ncccc1C ZINC000223105103 557431749 /nfs/dbraw/zinc/43/17/49/557431749.db2.gz LLHYPQHLXHIGOU-RPWUZVMVSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(C)ccn1 ZINC000223104972 557431760 /nfs/dbraw/zinc/43/17/60/557431760.db2.gz VKMBHDFUDVGLEW-DQEYMECFSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cn1 ZINC000223105481 557432029 /nfs/dbraw/zinc/43/20/29/557432029.db2.gz YINWOIPFROXWKK-DQEYMECFSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cn1 ZINC000223105306 557432054 /nfs/dbraw/zinc/43/20/54/557432054.db2.gz YINWOIPFROXWKK-JWQCQUIFSA-N 0 0 445.636 5.498 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ncccc1C ZINC000223105235 557432083 /nfs/dbraw/zinc/43/20/83/557432083.db2.gz LLHYPQHLXHIGOU-ZEQRLZLVSA-N 0 0 445.636 5.498 40 10 IKCBRN CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N12 ZINC000103563490 557439169 /nfs/dbraw/zinc/43/91/69/557439169.db2.gz UDRTYLWKFWAPCG-WHJFZTRWSA-N 0 0 427.888 5.225 40 10 IKCBRN CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N12 ZINC000103563495 557439235 /nfs/dbraw/zinc/43/92/35/557439235.db2.gz VPJYBQMHZZIKTB-OUQLGABESA-N 0 0 427.888 5.225 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014406582 557443580 /nfs/dbraw/zinc/44/35/80/557443580.db2.gz VEUNYJDAAFWOPF-AQTBWJFISA-N 0 0 426.310 5.025 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014406628 557443814 /nfs/dbraw/zinc/44/38/14/557443814.db2.gz FWGWFWUVEIKBLC-UYRXBGFRSA-N 0 0 440.337 5.450 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014406663 557443868 /nfs/dbraw/zinc/44/38/68/557443868.db2.gz WTMLCMKNEQAOJI-BOPFTXTBSA-N 0 0 447.274 5.169 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414286 557445365 /nfs/dbraw/zinc/44/53/65/557445365.db2.gz YZVMBYVGULXYTF-UQQQWYQISA-N 0 0 439.511 5.660 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014479985 557446954 /nfs/dbraw/zinc/44/69/54/557446954.db2.gz XBQNKQIEIQCBNQ-CLCZQPDDSA-N 0 0 444.600 6.239 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000223236201 557449445 /nfs/dbraw/zinc/44/94/45/557449445.db2.gz MBCUSQPRZSXHEP-UHFFFAOYSA-N 0 0 447.417 5.288 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000208849074 557459833 /nfs/dbraw/zinc/45/98/33/557459833.db2.gz LBTLFEDKWPULOM-HYARGMPZSA-N 0 0 446.934 6.124 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cc1 ZINC000223343731 557460647 /nfs/dbraw/zinc/46/06/47/557460647.db2.gz JUZDLMWYDHIEPW-LOSJGSFVSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000223381750 557465306 /nfs/dbraw/zinc/46/53/06/557465306.db2.gz MCASXGAVHNWGTP-CLJLJLNGSA-N 0 0 438.600 5.662 40 10 IKCBRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223393311 557466084 /nfs/dbraw/zinc/46/60/84/557466084.db2.gz AIMDWSKCMZQSQB-SJORKVTESA-N 0 0 435.008 5.826 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 ZINC000223494000 557479236 /nfs/dbraw/zinc/47/92/36/557479236.db2.gz NHBSSFBVHUHYPA-DQEYMECFSA-N 0 0 439.588 5.057 40 10 IKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cccc(Cl)c2C)cc1 ZINC000017097740 557479707 /nfs/dbraw/zinc/47/97/07/557479707.db2.gz ADDPETASICIADT-QJOMJCCJSA-N 0 0 431.923 5.794 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O ZINC000223499533 557479731 /nfs/dbraw/zinc/47/97/31/557479731.db2.gz PZLNYFPFSUDPCU-DDLUMYACSA-N 0 0 442.581 5.005 40 10 IKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223516232 557481272 /nfs/dbraw/zinc/48/12/72/557481272.db2.gz JXEISMKOFMDYAI-MBTVCVBTSA-N 0 0 442.581 5.003 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223518202 557481761 /nfs/dbraw/zinc/48/17/61/557481761.db2.gz GJCDVPCOSOFIER-UCQKPKSFSA-N 0 0 432.589 6.646 40 10 IKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000017094841 557485266 /nfs/dbraw/zinc/48/52/66/557485266.db2.gz LNNYSVKRNKXNLM-QJOMJCCJSA-N 0 0 426.476 5.294 40 10 IKCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223562170 557486209 /nfs/dbraw/zinc/48/62/09/557486209.db2.gz POMVDIQAMVGMLL-MBTVCVBTSA-N 0 0 444.597 5.175 40 10 IKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223566208 557487101 /nfs/dbraw/zinc/48/71/01/557487101.db2.gz WWBZHYVZQKTBNV-QCYAWUEASA-N 0 0 448.632 6.732 40 10 IKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000223581907 557488686 /nfs/dbraw/zinc/48/86/86/557488686.db2.gz IECDAROZXRSRDU-AHQHQLSQSA-N 0 0 444.597 5.095 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586615 557489145 /nfs/dbraw/zinc/48/91/45/557489145.db2.gz RHLWDWVWYMWSMM-CSMVZQPBSA-N 0 0 431.580 5.508 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223585454 557489153 /nfs/dbraw/zinc/48/91/53/557489153.db2.gz LJIJVXCEOGANSK-QCYAWUEASA-N 0 0 448.632 6.652 40 10 IKCBRN CC(Nc1ccc(C)cc1C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017102615 557491278 /nfs/dbraw/zinc/49/12/78/557491278.db2.gz PGQNOBYLIYNMSI-NKFKGCMQSA-N 0 0 438.556 6.050 40 10 IKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223610784 557491561 /nfs/dbraw/zinc/49/15/61/557491561.db2.gz UZDNCHARNPYWDT-PWIMYCEHSA-N 0 0 444.597 5.093 40 10 IKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000019634202 557502543 /nfs/dbraw/zinc/50/25/43/557502543.db2.gz GWUPZHJAPHVYDK-BWAHOGKJSA-N 0 0 441.531 5.403 40 10 IKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000223780383 557512248 /nfs/dbraw/zinc/51/22/48/557512248.db2.gz HZBCVSHQKMBVBU-LOSJGSFVSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 ZINC000223855263 557521425 /nfs/dbraw/zinc/52/14/25/557521425.db2.gz LMKPJWBWRDINOD-LOSJGSFVSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 ZINC000223878725 557524567 /nfs/dbraw/zinc/52/45/67/557524567.db2.gz WJLXYELDRCLEDC-RPWUZVMVSA-N 0 0 426.545 5.063 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C ZINC000224163516 557569024 /nfs/dbraw/zinc/56/90/24/557569024.db2.gz BLUIHMSJZVTQRX-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000224163855 557569187 /nfs/dbraw/zinc/56/91/87/557569187.db2.gz OVLHSRHEXLTFRW-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000224165571 557569456 /nfs/dbraw/zinc/56/94/56/557569456.db2.gz PUOFMNFAXHAGBZ-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000224167424 557569613 /nfs/dbraw/zinc/56/96/13/557569613.db2.gz FAQHOVBRQSMSFX-DQEYMECFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000224173049 557570455 /nfs/dbraw/zinc/57/04/55/557570455.db2.gz ZZWGGCOAFKCPJD-LOSJGSFVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000224285437 557585867 /nfs/dbraw/zinc/58/58/67/557585867.db2.gz HKKLHOSDHKERKM-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000224397759 557601616 /nfs/dbraw/zinc/60/16/16/557601616.db2.gz ULXOVFQSZBRNTE-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 ZINC000224416631 557603989 /nfs/dbraw/zinc/60/39/89/557603989.db2.gz DQIHYZQUKVTYBX-ZEQRLZLVSA-N 0 0 428.536 5.497 40 10 IKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 ZINC000224550546 557621124 /nfs/dbraw/zinc/62/11/24/557621124.db2.gz CORXCINIKYYGPJ-DQEYMECFSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 ZINC000224601015 557629717 /nfs/dbraw/zinc/62/97/17/557629717.db2.gz HFQWUCWEHRNJRY-LOSJGSFVSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 ZINC000224621846 557632036 /nfs/dbraw/zinc/63/20/36/557632036.db2.gz YCXMRMOPGVBIKO-RPWUZVMVSA-N 0 0 426.545 5.063 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000224799083 557652418 /nfs/dbraw/zinc/65/24/18/557652418.db2.gz UXBRRTAZCSCRJB-UHFFFAOYSA-N 0 0 441.369 5.144 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000225001644 557676015 /nfs/dbraw/zinc/67/60/15/557676015.db2.gz CPEQMOPPHVFKBW-IBGZPJMESA-N 0 0 430.614 5.157 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000225001678 557676196 /nfs/dbraw/zinc/67/61/96/557676196.db2.gz CPEQMOPPHVFKBW-LJQANCHMSA-N 0 0 430.614 5.157 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000225014070 557677601 /nfs/dbraw/zinc/67/76/01/557677601.db2.gz BAPYCIJJVNOYOF-JWQCQUIFSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C ZINC000225013938 557677650 /nfs/dbraw/zinc/67/76/50/557677650.db2.gz ICTLKFFMKUIRMT-RPBOFIJWSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000225014101 557677670 /nfs/dbraw/zinc/67/76/70/557677670.db2.gz BAPYCIJJVNOYOF-RPBOFIJWSA-N 0 0 430.621 5.713 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225014758 557677889 /nfs/dbraw/zinc/67/78/89/557677889.db2.gz QTRLXUZRUQQMKM-CLJLJLNGSA-N 0 0 444.648 5.967 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225014661 557677890 /nfs/dbraw/zinc/67/78/90/557677890.db2.gz CTKIPRASXOHFPI-IZZNHLLZSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000225014233 557677916 /nfs/dbraw/zinc/67/79/16/557677916.db2.gz CKVJZCVOSKYVBS-JWQCQUIFSA-N 0 0 430.621 5.713 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000225015294 557678056 /nfs/dbraw/zinc/67/80/56/557678056.db2.gz VSKZGSZGNAQOTG-RPWUZVMVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 ZINC000225015137 557678120 /nfs/dbraw/zinc/67/81/20/557678120.db2.gz VVTYFBBXHOEWSI-RPWUZVMVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O ZINC000225016583 557678299 /nfs/dbraw/zinc/67/82/99/557678299.db2.gz VIDHFZHLDJDYNA-BJKOFHAPSA-N 0 0 432.593 5.110 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225017148 557678436 /nfs/dbraw/zinc/67/84/36/557678436.db2.gz WDUMEKQCMWLQMW-DQEYMECFSA-N 0 0 446.620 5.413 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225017105 557678464 /nfs/dbraw/zinc/67/84/64/557678464.db2.gz WDUMEKQCMWLQMW-LOSJGSFVSA-N 0 0 446.620 5.413 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225018905 557678647 /nfs/dbraw/zinc/67/86/47/557678647.db2.gz ONOUHUKRURQPNN-CLJLJLNGSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cn1 ZINC000225021144 557678860 /nfs/dbraw/zinc/67/88/60/557678860.db2.gz LPKZYNGEFPSGPW-RPWUZVMVSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ncccc1C ZINC000225021062 557678964 /nfs/dbraw/zinc/67/89/64/557678964.db2.gz CGNMWBTYJQLEOP-GOTSBHOMSA-N 0 0 431.609 5.108 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225030973 557680190 /nfs/dbraw/zinc/68/01/90/557680190.db2.gz IIWMGDHHQXFFOS-RPWUZVMVSA-N 0 0 432.593 5.104 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225031055 557680200 /nfs/dbraw/zinc/68/02/00/557680200.db2.gz IIWMGDHHQXFFOS-ZEQRLZLVSA-N 0 0 432.593 5.104 40 10 IKCBRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)n1 ZINC000225292300 557709536 /nfs/dbraw/zinc/70/95/36/557709536.db2.gz LBGOAVNAFNFGSJ-KNQAVFIVSA-N 0 0 430.596 5.276 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654207 557757418 /nfs/dbraw/zinc/75/74/18/557757418.db2.gz JWNYWKUSCZYGJB-INIZCTEOSA-N 0 0 432.431 5.733 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654188 557757448 /nfs/dbraw/zinc/75/74/48/557757448.db2.gz JWNYWKUSCZYGJB-MRXNPFEDSA-N 0 0 432.431 5.733 40 10 IKCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656288 557757702 /nfs/dbraw/zinc/75/77/02/557757702.db2.gz NDGOYAVZSRZWIQ-LJQANCHMSA-N 0 0 439.625 5.456 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000225656230 557757705 /nfs/dbraw/zinc/75/77/05/557757705.db2.gz CIHRZUJMEFCTTG-LJQANCHMSA-N 0 0 439.625 5.456 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225664965 557759362 /nfs/dbraw/zinc/75/93/62/557759362.db2.gz BTEAKRNAKQFLKX-HNNXBMFYSA-N 0 0 431.989 5.165 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665056 557759377 /nfs/dbraw/zinc/75/93/77/557759377.db2.gz PNZBNUMFIBIFGY-OAHLLOKOSA-N 0 0 431.989 5.165 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000225665438 557759512 /nfs/dbraw/zinc/75/95/12/557759512.db2.gz VCRXJEYRNKMNKH-SFHVURJKSA-N 0 0 425.598 5.210 40 10 IKCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665396 557759516 /nfs/dbraw/zinc/75/95/16/557759516.db2.gz AKBLMZTZQKZDQP-GOSISDBHSA-N 0 0 425.598 5.210 40 10 IKCBRN Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000225666159 557759777 /nfs/dbraw/zinc/75/97/77/557759777.db2.gz CMFIMSULGFSZDP-LJQANCHMSA-N 0 0 436.625 5.160 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225670434 557760516 /nfs/dbraw/zinc/76/05/16/557760516.db2.gz SEXKHRIJQHLVIZ-IEBWSBKVSA-N 0 0 439.625 5.456 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671036 557760606 /nfs/dbraw/zinc/76/06/06/557760606.db2.gz UIYZBTYTANWULG-WOJBJXKFSA-N 0 0 437.653 6.292 40 10 IKCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c2cccnc12 ZINC000225672030 557760774 /nfs/dbraw/zinc/76/07/74/557760774.db2.gz XJMKOVXAGKYEIN-MSOLQXFVSA-N 0 0 434.609 5.527 40 10 IKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000225690565 557764144 /nfs/dbraw/zinc/76/41/44/557764144.db2.gz MTJKVLWBBXFVJC-CQSZACIVSA-N 0 0 441.950 6.082 40 10 IKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)C1 ZINC000225691288 557764437 /nfs/dbraw/zinc/76/44/37/557764437.db2.gz AULMIIAJXMNESE-CQSZACIVSA-N 0 0 436.394 5.311 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 ZINC000225694830 557765054 /nfs/dbraw/zinc/76/50/54/557765054.db2.gz PCEFBJPCFFVYLX-CYBMUJFWSA-N 0 0 427.923 6.007 40 10 IKCBRN CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl ZINC000225696186 557765605 /nfs/dbraw/zinc/76/56/05/557765605.db2.gz POPROWKTNYZYJO-OAHLLOKOSA-N 0 0 431.989 5.165 40 10 IKCBRN CCOC(=O)c1cc(NC(=S)NCCCN(CC)c2ccc(C)cc2)ccc1Cl ZINC000225734576 557770540 /nfs/dbraw/zinc/77/05/40/557770540.db2.gz ZXZKFDOJQNEJMF-UHFFFAOYSA-N 0 0 434.005 5.028 40 10 IKCBRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225779636 557776977 /nfs/dbraw/zinc/77/69/77/557776977.db2.gz YDSFYWHGILVBOB-HXUWFJFHSA-N 0 0 448.994 6.400 40 10 IKCBRN CCN(CCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1 ZINC000225793551 557778275 /nfs/dbraw/zinc/77/82/75/557778275.db2.gz OKYMPTJRXRIVIQ-UHFFFAOYSA-N 0 0 426.811 5.224 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000225808167 557779357 /nfs/dbraw/zinc/77/93/57/557779357.db2.gz ICGYSBJXGKEYDR-UHFFFAOYSA-N 0 0 439.024 6.409 40 10 IKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 ZINC000034106769 557811086 /nfs/dbraw/zinc/81/10/86/557811086.db2.gz CYWBBUYENBOXOD-CPNJWEJPSA-N 0 0 427.547 5.267 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847054 557811815 /nfs/dbraw/zinc/81/18/15/557811815.db2.gz YGIUJMFUNUNPDP-SGIRGMQISA-N 0 0 434.536 5.761 40 10 IKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1Cl ZINC000058865686 557812174 /nfs/dbraw/zinc/81/21/74/557812174.db2.gz SGEFBIVZQDMJHO-UHFFFAOYSA-N 0 0 442.895 5.071 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000058865642 557812205 /nfs/dbraw/zinc/81/22/05/557812205.db2.gz DGUJAVOGVUFUSJ-UHFFFAOYSA-N 0 0 428.484 5.563 40 10 IKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000058865987 557812327 /nfs/dbraw/zinc/81/23/27/557812327.db2.gz ZYKKZOYFCHFTGZ-UHFFFAOYSA-N 0 0 433.287 5.326 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000058822045 557812799 /nfs/dbraw/zinc/81/27/99/557812799.db2.gz FEJBVOULPBFZCZ-KGENOOAVSA-N 0 0 437.973 6.325 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845719 557812808 /nfs/dbraw/zinc/81/28/08/557812808.db2.gz OLRIQIUFEBAKHK-VVZHRXSXSA-N 0 0 446.572 5.631 40 10 IKCBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000058822029 557812830 /nfs/dbraw/zinc/81/28/30/557812830.db2.gz JPZFAJZXBMRSAH-HYARGMPZSA-N 0 0 435.570 5.649 40 10 IKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058846067 557813043 /nfs/dbraw/zinc/81/30/43/557813043.db2.gz ZNFGXMMHVVYZRK-VVZHRXSXSA-N 0 0 448.563 6.015 40 10 IKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 ZINC000058846321 557813139 /nfs/dbraw/zinc/81/31/39/557813139.db2.gz FCSBBECEXJDAME-VVZHRXSXSA-N 0 0 448.563 6.070 40 10 IKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845973 557813143 /nfs/dbraw/zinc/81/31/43/557813143.db2.gz JGZHKNBWDPVSTH-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928622 557813258 /nfs/dbraw/zinc/81/32/58/557813258.db2.gz HIHZOEPNHIPJQN-UFPGJGBJSA-N 0 0 436.382 7.707 40 10 IKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846947 557813334 /nfs/dbraw/zinc/81/33/34/557813334.db2.gz FDUIUSAHULUCAN-UNVFRBQDSA-N 0 0 448.563 6.070 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000058929533 557813596 /nfs/dbraw/zinc/81/35/96/557813596.db2.gz ZBLWEULDMALEBJ-OHUGHZGNSA-N 0 0 432.361 6.951 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000058884035 557814795 /nfs/dbraw/zinc/81/47/95/557814795.db2.gz BAWMARXSCSJABQ-ODLFYWEKSA-N 0 0 430.331 5.994 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1ccccc1 ZINC000059229131 557818945 /nfs/dbraw/zinc/81/89/45/557818945.db2.gz FWDPPAXXQWSTIB-XDHOZWIPSA-N 0 0 447.288 5.012 40 10 IKCBRN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1I ZINC000059417960 557823038 /nfs/dbraw/zinc/82/30/38/557823038.db2.gz BOSQQVGTLBNJBN-FLIHGVEMSA-N 0 0 449.338 5.253 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1C1CCCCC1 ZINC000059418177 557823174 /nfs/dbraw/zinc/82/31/74/557823174.db2.gz QDXGFOTZPOMNIN-KGENOOAVSA-N 0 0 427.566 5.939 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(F)c1 ZINC000059418254 557823406 /nfs/dbraw/zinc/82/34/06/557823406.db2.gz OWKCQAIHANQNNM-CIAFOILYSA-N 0 0 439.508 5.950 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000059566389 557823991 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5.334 40 10 IKCBRN CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000011565503 556341908 /nfs/dbraw/zinc/34/19/08/556341908.db2.gz ZIVBJUQNKAVAOQ-MNDPQUGUSA-N 0 0 435.611 5.190 40 10 IKCBRN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000012032420 556388939 /nfs/dbraw/zinc/38/89/39/556388939.db2.gz CCISENYTWXVRNE-QILRFVRISA-N 0 0 442.650 5.405 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1C ZINC000408852584 556441840 /nfs/dbraw/zinc/44/18/40/556441840.db2.gz UOQRKKVALWDGMQ-OYKKKHCWSA-N 0 0 441.600 5.352 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000040007072 556445962 /nfs/dbraw/zinc/44/59/62/556445962.db2.gz LSNQRVSUXFSMKY-LPYMAVHISA-N 0 0 437.326 6.379 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2c(Cl)cccc2Cl)N1 ZINC000408875151 556463817 /nfs/dbraw/zinc/46/38/17/556463817.db2.gz GLEABHYXUHAEBI-QWJLCTJOSA-N 0 0 446.333 6.595 40 10 IKCBRN CCCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408876848 556466622 /nfs/dbraw/zinc/46/66/22/556466622.db2.gz OIUVGUNFJAIENE-UHFFFAOYSA-N 0 0 442.540 5.224 40 10 IKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000408884985 556474690 /nfs/dbraw/zinc/47/46/90/556474690.db2.gz WIJGUJKMOQGTAK-XFQAVAEZSA-N 0 0 428.326 5.495 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408901445 556486965 /nfs/dbraw/zinc/48/69/65/556486965.db2.gz FFIDZMDHDHNHTG-SFQUDFHCSA-N 0 0 441.712 6.169 40 10 IKCBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901005 556488532 /nfs/dbraw/zinc/48/85/32/556488532.db2.gz BLUQCRHYARCAIB-RNEAKCBISA-N 0 0 433.982 5.932 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 ZINC000408905325 556492746 /nfs/dbraw/zinc/49/27/46/556492746.db2.gz XGOAHNVQANFEAC-PCLIKHOPSA-N 0 0 448.526 5.395 40 10 IKCBRN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000032111746 556530619 /nfs/dbraw/zinc/53/06/19/556530619.db2.gz SQMLNGVPSAMROJ-DHDCSXOGSA-N 0 0 447.887 5.466 40 10 IKCBRN COC1=CC(=NNc2ccccc2)C(OC)=CC1=NN=C1C(=O)Nc2ccccc2C1=O ZINC000013597239 556532371 /nfs/dbraw/zinc/53/23/71/556532371.db2.gz DHQPPOYLOLLOCW-PAMTUDGESA-N 0 0 429.436 6.494 40 10 IKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cn(Cc2cccc(O)c2)c2ccccc12 ZINC000032117147 556532735 /nfs/dbraw/zinc/53/27/35/556532735.db2.gz VDBIAWGKJZCFRB-UYRXBGFRSA-N 0 0 427.887 6.030 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000032124854 556533656 /nfs/dbraw/zinc/53/36/56/556533656.db2.gz KWBUDPPDXQTBHI-MHWRWJLKSA-N 0 0 436.967 5.621 40 10 IKCBRN CC(NCCc1c[nH]c2ccc(Cl)cc12)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000013623601 556536034 /nfs/dbraw/zinc/53/60/34/556536034.db2.gz UEOVVQCHGIPLAJ-FYJGNVAPSA-N 0 0 449.967 5.260 40 10 IKCBRN Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000032138911 556536812 /nfs/dbraw/zinc/53/68/12/556536812.db2.gz NGBAUQBXUSMAJE-PDOGEWKWSA-N 0 0 449.335 6.370 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408937916 556537533 /nfs/dbraw/zinc/53/75/33/556537533.db2.gz JXSLPBCNZGDOLY-JJIBRWJFSA-N 0 0 436.486 6.364 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408942410 556540561 /nfs/dbraw/zinc/54/05/61/556540561.db2.gz QQUGCSOXPCLIHX-FYJGNVAPSA-N 0 0 448.881 5.500 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408944342 556540795 /nfs/dbraw/zinc/54/07/95/556540795.db2.gz UKGVNOKUXLGBJK-PXLXIMEGSA-N 0 0 430.891 5.361 40 10 IKCBRN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1Cl ZINC000033422572 556564083 /nfs/dbraw/zinc/56/40/83/556564083.db2.gz SVHXYMJIAJCGJA-VFVRVIDISA-N 0 0 442.127 6.425 40 10 IKCBRN c1ccc(N=NNc2cc(NN=Nc3ccccc3)nc(N=NNc3ccccc3)n2)cc1 ZINC000015922406 556564550 /nfs/dbraw/zinc/56/45/50/556564550.db2.gz GIAXYVBJLKZQPJ-UHFFFAOYSA-N 0 0 437.471 6.809 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966487 556575700 /nfs/dbraw/zinc/57/57/00/556575700.db2.gz LXHNJHJOGRIYOT-IWIPYMOSSA-N 0 0 445.538 5.624 40 10 IKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970142 556586359 /nfs/dbraw/zinc/58/63/59/556586359.db2.gz BMZZJEJONDEJSQ-ATVHPVEESA-N 0 0 427.338 5.203 40 10 IKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000016195803 556590152 /nfs/dbraw/zinc/59/01/52/556590152.db2.gz NMYQXGXPQPSFCS-NVNXTCNLSA-N 0 0 426.346 5.070 40 10 IKCBRN COc1ccc(N(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)c2ccccc2)cc1 ZINC000016216879 556592131 /nfs/dbraw/zinc/59/21/31/556592131.db2.gz GHQPEMZRPVXIOP-OCOZRVBESA-N 0 0 430.489 7.550 40 10 IKCBRN COc1ccccc1NCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000016248141 556594177 /nfs/dbraw/zinc/59/41/77/556594177.db2.gz ITVOPYFOMONAJL-LZYBPNLTSA-N 0 0 425.362 5.273 40 10 IKCBRN COc1ccc(N(c2ccc(/N=N/c3ccc(C)cc3)s2)c2ccc(OC)cc2)cc1 ZINC000016291646 556597972 /nfs/dbraw/zinc/59/79/72/556597972.db2.gz RALHJFAVSDLERM-CYYJNZCTSA-N 0 0 429.545 7.959 40 10 IKCBRN Cc1ccc(N(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)c2ccc(C)cc2)cc1 ZINC000016292606 556598148 /nfs/dbraw/zinc/59/81/48/556598148.db2.gz GLXSWLUBDSPZNJ-OCEACIFDSA-N 0 0 428.517 8.158 40 10 IKCBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000408972997 556611887 /nfs/dbraw/zinc/61/18/87/556611887.db2.gz RGBQIHTVOLVYNP-PDGQHHTCSA-N 0 0 441.365 5.512 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973603 556612646 /nfs/dbraw/zinc/61/26/46/556612646.db2.gz ZILGZSFULBZHRZ-STZFKDTASA-N 0 0 440.396 5.753 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O)c2ccccc12 ZINC000016779676 556641280 /nfs/dbraw/zinc/64/12/80/556641280.db2.gz XJSXRJVNVRFZPI-UHFFFAOYSA-N 0 0 426.925 5.407 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc(C)c2O)c2ccccc12 ZINC000016779664 556641367 /nfs/dbraw/zinc/64/13/67/556641367.db2.gz SHGRTKLYBFBVQC-UHFFFAOYSA-N 0 0 440.952 5.716 40 10 IKCBRN O=C1c2ccccc2C(=O)[C@H]2CC3=C(CC4=C(C3)C[C@@H]3C(=O)c5ccccc5C(=O)[C@@H]3C4)C[C@@H]12 ZINC000016919178 556648994 /nfs/dbraw/zinc/64/89/94/556648994.db2.gz VAYZZDIZEPUMDU-POYMRFPPSA-N 0 0 448.518 5.584 40 10 IKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1ccc(Br)cc1Br ZINC000016951212 556649874 /nfs/dbraw/zinc/64/98/74/556649874.db2.gz XEMJYCFOXXWLDL-VHXPQNKSSA-N 0 0 447.134 5.975 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309594 556663480 /nfs/dbraw/zinc/66/34/80/556663480.db2.gz OOJODHPRLUZNNA-RCCKNPSSSA-N 0 0 431.963 7.026 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000083309593 556663487 /nfs/dbraw/zinc/66/34/87/556663487.db2.gz CEOKFARTXKBPSW-RCCKNPSSSA-N 0 0 442.515 6.281 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(-c2ccccc2)cc1 ZINC000408983323 556665550 /nfs/dbraw/zinc/66/55/50/556665550.db2.gz AWHNREXIFCNJBI-NCELDCMTSA-N 0 0 433.938 7.478 40 10 IKCBRN COc1cc(OC)cc(-c2c3c(C)nn(-c4ccccc4)c3nc3c2C(=O)c2ccccc2-3)c1 ZINC000044138300 556666090 /nfs/dbraw/zinc/66/60/90/556666090.db2.gz AQOOQHWJDCUZHJ-UHFFFAOYSA-N 0 0 447.494 5.625 40 10 IKCBRN COc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 ZINC000017130542 556669084 /nfs/dbraw/zinc/66/90/84/556669084.db2.gz VAAIDCKFMBXURN-OCOZRVBESA-N 0 0 430.558 6.704 40 10 IKCBRN COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2Cl)c1C ZINC000017194793 556672636 /nfs/dbraw/zinc/67/26/36/556672636.db2.gz GNPBGPJMZIFDTK-OCOZRVBESA-N 0 0 425.876 5.246 40 10 IKCBRN S=C(/N=N\c1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 ZINC000017379546 556676995 /nfs/dbraw/zinc/67/69/95/556676995.db2.gz AYRQKQYHAGQLKD-OHYPFYFLSA-N 0 0 440.528 7.257 40 10 IKCBRN Cc1oc2ccc(O)c(CN3C[C@@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418548 556677161 /nfs/dbraw/zinc/67/71/61/556677161.db2.gz INPGQTSUSFGREI-OKILXGFUSA-N 0 0 442.943 5.270 40 10 IKCBRN O=C(Nc1cccc(Cl)c1)C1=CC(=NNc2ccc([N+](=O)[O-])cc2Cl)C=CC1=O ZINC000017995347 556681330 /nfs/dbraw/zinc/68/13/30/556681330.db2.gz GDXQTBCVFFUYAF-WCWDXBQESA-N 0 0 431.235 6.275 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)cc1 ZINC000408758863 556681497 /nfs/dbraw/zinc/68/14/97/556681497.db2.gz SRTCWCQYGVYWAT-FYJGNVAPSA-N 0 0 446.890 5.302 40 10 IKCBRN COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccc(Cl)cc4)cc3c2)cc1 ZINC000018031698 556682013 /nfs/dbraw/zinc/68/20/13/556682013.db2.gz VEKUUVRAVGECSD-CYYJNZCTSA-N 0 0 433.851 6.123 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 ZINC000408759107 556682895 /nfs/dbraw/zinc/68/28/95/556682895.db2.gz XWRMREKPTUPWOV-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000408984136 556684538 /nfs/dbraw/zinc/68/45/38/556684538.db2.gz FFSUBTNLEBSOPM-FCDQGJHFSA-N 0 0 448.953 7.555 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3C)C2=O)cc1 ZINC000408984239 556685139 /nfs/dbraw/zinc/68/51/39/556685139.db2.gz FVNINZUTSMEJCJ-HAVVHWLPSA-N 0 0 439.511 5.652 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(N2CCOCC2)cc1 ZINC000408984462 556685333 /nfs/dbraw/zinc/68/53/33/556685333.db2.gz HKGSAPLNISYYON-RELWKKBWSA-N 0 0 442.946 5.648 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000408759210 556685940 /nfs/dbraw/zinc/68/59/40/556685940.db2.gz ZUKVLYXRZHMQBZ-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc2c(c1)OCO2 ZINC000408985058 556686350 /nfs/dbraw/zinc/68/63/50/556686350.db2.gz LDIXQVTWQCGJSB-LICLKQGHSA-N 0 0 436.294 6.193 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000408760512 556687289 /nfs/dbraw/zinc/68/72/89/556687289.db2.gz ZXWNOLQXRLIBDT-SILNSSARSA-N 0 0 430.935 5.886 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408761005 556687489 /nfs/dbraw/zinc/68/74/89/556687489.db2.gz BUPVTMFSMKMDHZ-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN CC(C)c1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408986213 556687647 /nfs/dbraw/zinc/68/76/47/556687647.db2.gz OSFOZBFKFFISJW-XSFVSMFZSA-N 0 0 434.366 7.588 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C4CCCCC4)cc3)C2=O)cc1 ZINC000408986693 556687882 /nfs/dbraw/zinc/68/78/82/556687882.db2.gz SSHFFXFNIJUHIK-SZXQPVLSSA-N 0 0 449.594 7.604 40 10 IKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4)C3=O)o2)cc1 ZINC000408987277 556691414 /nfs/dbraw/zinc/69/14/14/556691414.db2.gz VTLWGBAMABMYCW-PTGBLXJZSA-N 0 0 447.490 6.205 40 10 IKCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408987887 556693312 /nfs/dbraw/zinc/69/33/12/556693312.db2.gz ZMMDUQREGXIUDB-DEDYPNTBSA-N 0 0 434.322 6.667 40 10 IKCBRN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000070453910 556699992 /nfs/dbraw/zinc/69/99/92/556699992.db2.gz QGUJCRCCBPPHLX-UHFFFAOYSA-N 0 0 427.460 5.872 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1 ZINC000408995206 556709537 /nfs/dbraw/zinc/70/95/37/556709537.db2.gz LEJCRYFHPOVMHK-PXLXIMEGSA-N 0 0 437.326 6.227 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408998334 556710147 /nfs/dbraw/zinc/71/01/47/556710147.db2.gz PZFFMGVKUWTNBI-PDGQHHTCSA-N 0 0 430.331 5.878 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409015737 556719736 /nfs/dbraw/zinc/71/97/36/556719736.db2.gz QGPDVCBDAMVRKY-ULJHMMPZSA-N 0 0 431.532 5.271 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000409017584 556721479 /nfs/dbraw/zinc/72/14/79/556721479.db2.gz FRGVKPRYENOFFY-GDNBJRDFSA-N 0 0 436.722 5.832 40 10 IKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O ZINC000409019005 556722058 /nfs/dbraw/zinc/72/20/58/556722058.db2.gz ZZJFCTXXBQNZFV-QFNCUCFLSA-N 0 0 425.598 5.775 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000409018964 556722154 /nfs/dbraw/zinc/72/21/54/556722154.db2.gz ZTEDRGGAPKMLOJ-DHDCSXOGSA-N 0 0 436.722 5.832 40 10 IKCBRN CC[C@H](C)Oc1c(Cl)cc(C=C2SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OC ZINC000136657433 556722568 /nfs/dbraw/zinc/72/25/68/556722568.db2.gz IHWHZJUAUBVTKO-DKNZLLBESA-N 0 0 444.984 6.225 40 10 IKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)cc1 ZINC000409020524 556723399 /nfs/dbraw/zinc/72/33/99/556723399.db2.gz QEWBVLMTQITNKV-ZXOFLVKFSA-N 0 0 426.538 5.106 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409020962 556723405 /nfs/dbraw/zinc/72/34/05/556723405.db2.gz WGRHUVPRPNWJSO-BKQORJHRSA-N 0 0 446.956 5.044 40 10 IKCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)S1 ZINC000409025547 556726477 /nfs/dbraw/zinc/72/64/77/556726477.db2.gz XBMVMLKBINQVCJ-MTJSOVHGSA-N 0 0 436.920 5.179 40 10 IKCBRN CCn1c(C)c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 ZINC000409034483 556743382 /nfs/dbraw/zinc/74/33/82/556743382.db2.gz HGGKWUPXZHVWBY-LCYFTJDESA-N 0 0 433.380 5.471 40 10 IKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c2n1C ZINC000409034550 556743491 /nfs/dbraw/zinc/74/34/91/556743491.db2.gz OEWMGEVZAURRFN-MDWZMJQESA-N 0 0 433.380 5.297 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409036182 556746625 /nfs/dbraw/zinc/74/66/25/556746625.db2.gz AHVPZOAIHWIXOE-JAIQZWGSSA-N 0 0 431.554 5.271 40 10 IKCBRN CC[C@@H](C)n1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 ZINC000409036587 556746865 /nfs/dbraw/zinc/74/68/65/556746865.db2.gz LSRCXQQGMXSDJS-YFEUJDIGSA-N 0 0 439.481 6.453 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(C(C)C)c2ccccc12 ZINC000409041710 556749687 /nfs/dbraw/zinc/74/96/87/556749687.db2.gz VHQHYPDSUWBBNK-ZSOIEALJSA-N 0 0 433.380 5.724 40 10 IKCBRN COc1ccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)cc1 ZINC000000920833 556749959 /nfs/dbraw/zinc/74/99/59/556749959.db2.gz ZQYBFZJTVJCVJH-UHFFFAOYSA-N 0 0 438.549 5.127 40 10 IKCBRN CCCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 ZINC000409040809 556750677 /nfs/dbraw/zinc/75/06/77/556750677.db2.gz UPOWVSDCSAYZHN-LICLKQGHSA-N 0 0 425.454 5.892 40 10 IKCBRN CC[C@@H](C)n1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 ZINC000409046392 556752134 /nfs/dbraw/zinc/75/21/34/556752134.db2.gz KBRXMMZYYYLJHB-ZFMLPXDISA-N 0 0 439.481 6.578 40 10 IKCBRN COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12 ZINC000409046859 556752290 /nfs/dbraw/zinc/75/22/90/556752290.db2.gz LAFZHETVRNAHRY-NTEUORMPSA-N 0 0 432.348 5.350 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409053691 556757993 /nfs/dbraw/zinc/75/79/93/556757993.db2.gz HBDWSXIPIBZVEK-XYGWBWBKSA-N 0 0 446.591 5.716 40 10 IKCBRN CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000409055045 556758189 /nfs/dbraw/zinc/75/81/89/556758189.db2.gz XTPVGNPQCTYIIZ-WQRHYEAKSA-N 0 0 448.407 5.558 40 10 IKCBRN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc31)C2 ZINC000005317889 556763227 /nfs/dbraw/zinc/76/32/27/556763227.db2.gz LWTOUQIZYBPKCQ-XGCWNURASA-N 0 0 443.547 5.443 40 10 IKCBRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001225052 556769983 /nfs/dbraw/zinc/76/99/83/556769983.db2.gz LWXHCCJRISJBSW-UHFFFAOYSA-N 0 0 429.570 6.009 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1 ZINC000409070508 556774548 /nfs/dbraw/zinc/77/45/48/556774548.db2.gz YRSASBKZVNGMRI-JPOGYNCRSA-N 0 0 440.565 5.035 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409096066 556794590 /nfs/dbraw/zinc/79/45/90/556794590.db2.gz JMWWRFQLXOFXAJ-KEBDBYFISA-N 0 0 440.330 5.807 40 10 IKCBRN Clc1cccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c1Cl ZINC000001995045 556798480 /nfs/dbraw/zinc/79/84/80/556798480.db2.gz RPFZUFVCTNLFBZ-RVPKQNPDSA-N 0 0 442.127 6.425 40 10 IKCBRN CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O ZINC000409122680 556817272 /nfs/dbraw/zinc/81/72/72/556817272.db2.gz AUXKWLNMGSBAIB-ULJHMMPZSA-N 0 0 436.621 6.978 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1)c1ccccc1 ZINC000409123398 556820858 /nfs/dbraw/zinc/82/08/58/556820858.db2.gz GDBIJZWIZNBBTI-STZFKDTASA-N 0 0 448.931 5.319 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 ZINC000408766894 556830005 /nfs/dbraw/zinc/83/00/05/556830005.db2.gz WMTWOAHKTAHKCP-XMHGGMMESA-N 0 0 432.907 6.528 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1)c1ccccc1 ZINC000409125768 556830394 /nfs/dbraw/zinc/83/03/94/556830394.db2.gz AWDOQASZCLLFPG-STZFKDTASA-N 0 0 448.931 5.319 40 10 IKCBRN Clc1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c1Cl ZINC000006444491 556837004 /nfs/dbraw/zinc/83/70/04/556837004.db2.gz RPFZUFVCTNLFBZ-PSVSLLHZSA-N 0 0 442.127 6.425 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409128629 556839613 /nfs/dbraw/zinc/83/96/13/556839613.db2.gz FXANCXZQRBKMGF-JJIBRWJFSA-N 0 0 444.600 6.380 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409129191 556840131 /nfs/dbraw/zinc/84/01/31/556840131.db2.gz FSCTUZRDHRPINQ-BUVRLJJBSA-N 0 0 445.588 6.259 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409129745 556840682 /nfs/dbraw/zinc/84/06/82/556840682.db2.gz UPMOTHHEUSXMJC-ULJHMMPZSA-N 0 0 430.573 6.072 40 10 IKCBRN COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc2ccccc21 ZINC000008617882 556841829 /nfs/dbraw/zinc/84/18/29/556841829.db2.gz CWJAURMBDVJPGM-UHFFFAOYSA-N 0 0 447.560 5.089 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409132722 556843355 /nfs/dbraw/zinc/84/33/55/556843355.db2.gz KQAPZUCTIYRKNI-FYJGNVAPSA-N 0 0 428.985 6.364 40 10 IKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000409133566 556846615 /nfs/dbraw/zinc/84/66/15/556846615.db2.gz MHADKZVQDZQVMJ-HMAPJEAMSA-N 0 0 436.602 5.578 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409134073 556847705 /nfs/dbraw/zinc/84/77/05/556847705.db2.gz RSPBVSSGFZYMNH-KOEQRZSOSA-N 0 0 444.600 6.380 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408773837 556848178 /nfs/dbraw/zinc/84/81/78/556848178.db2.gz SXXBYTWEWXUCAL-UQQQWYQISA-N 0 0 440.543 5.670 40 10 IKCBRN COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 ZINC000408774851 556848364 /nfs/dbraw/zinc/84/83/64/556848364.db2.gz YIEIOFJRCZGRBA-CPNJWEJPSA-N 0 0 446.890 6.037 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 ZINC000408774462 556848375 /nfs/dbraw/zinc/84/83/75/556848375.db2.gz LNFFMXSTUVEERS-LMSRTUJASA-N 0 0 431.605 5.873 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 ZINC000408775221 556848381 /nfs/dbraw/zinc/84/83/81/556848381.db2.gz RLTKCNMBKNHXDB-MGSPXPDISA-N 0 0 437.996 5.910 40 10 IKCBRN CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408774524 556848428 /nfs/dbraw/zinc/84/84/28/556848428.db2.gz MCKCMXMZSJQLTA-HQXXTQMQSA-N 0 0 438.527 6.888 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 ZINC000408774464 556848488 /nfs/dbraw/zinc/84/84/88/556848488.db2.gz LNFFMXSTUVEERS-RISWYLRJSA-N 0 0 431.605 5.873 40 10 IKCBRN CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408774525 556848493 /nfs/dbraw/zinc/84/84/93/556848493.db2.gz MCKCMXMZSJQLTA-MHIQDMOBSA-N 0 0 438.527 6.888 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1)c1ccccc1 ZINC000409136727 556849794 /nfs/dbraw/zinc/84/97/94/556849794.db2.gz UUKXXQVSTJOXHR-WQRHYEAKSA-N 0 0 443.311 5.654 40 10 IKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408783109 556855155 /nfs/dbraw/zinc/85/51/55/556855155.db2.gz KCIDHYHBYHVCMW-UHFFFAOYSA-N 0 0 448.931 5.097 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 ZINC000408784990 556855470 /nfs/dbraw/zinc/85/54/70/556855470.db2.gz WOUIETCYXJETGB-ZGOFBEGVSA-N 0 0 445.632 6.380 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1 ZINC000408786443 556856472 /nfs/dbraw/zinc/85/64/72/556856472.db2.gz JZWPRYXEGKLBMR-SJJVXOANSA-N 0 0 447.604 5.655 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2cccc(C)c2)C1=O ZINC000408840614 556867234 /nfs/dbraw/zinc/86/72/34/556867234.db2.gz DQLPHVVGISJQMA-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2cccc(C)c2)cc1 ZINC000408841411 556867486 /nfs/dbraw/zinc/86/74/86/556867486.db2.gz IXGSSDWEIAZGTM-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408841551 556867780 /nfs/dbraw/zinc/86/77/80/556867780.db2.gz JQORNPMSACYQIS-HYARGMPZSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Br)cc2)cc1 ZINC000408841762 556867787 /nfs/dbraw/zinc/86/77/87/556867787.db2.gz KWKNYFBQNKYNJZ-CPNJWEJPSA-N 0 0 439.334 5.354 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408842251 556868079 /nfs/dbraw/zinc/86/80/79/556868079.db2.gz JPOSIZZGAPBPNY-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409139546 556873316 /nfs/dbraw/zinc/87/33/16/556873316.db2.gz OBWBCOBPMBIVDM-MFOYZWKCSA-N 0 0 435.412 5.712 40 10 IKCBRN COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1 ZINC000409140345 556873610 /nfs/dbraw/zinc/87/36/10/556873610.db2.gz DAOOPACCTREVCZ-JLPGSUDCSA-N 0 0 446.572 5.772 40 10 IKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409151553 556876870 /nfs/dbraw/zinc/87/68/70/556876870.db2.gz HQZOLZFSHSCHDU-WFXMLNOXSA-N 0 0 429.345 6.415 40 10 IKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409151549 556876946 /nfs/dbraw/zinc/87/69/46/556876946.db2.gz HQZOLZFSHSCHDU-OPYAIIAOSA-N 0 0 429.345 6.415 40 10 IKCBRN Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000409152895 556878533 /nfs/dbraw/zinc/87/85/33/556878533.db2.gz GNZHSXIVFVUGBX-FBLLAGFSSA-N 0 0 448.429 7.568 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409153365 556878877 /nfs/dbraw/zinc/87/88/77/556878877.db2.gz HVOWVHLYWOCWMW-IGCXYCKISA-N 0 0 428.679 6.948 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408893887 556879938 /nfs/dbraw/zinc/87/99/38/556879938.db2.gz OBUOFDGJUKZREG-ULJHMMPZSA-N 0 0 439.511 5.451 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 ZINC000409155799 556879924 /nfs/dbraw/zinc/87/99/24/556879924.db2.gz CSZCQBFHUXZGDM-VLXJIEOASA-N 0 0 431.286 5.201 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 ZINC000409155801 556879991 /nfs/dbraw/zinc/87/99/91/556879991.db2.gz CSZCQBFHUXZGDM-XEKQOVJPSA-N 0 0 431.286 5.201 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408894615 556880355 /nfs/dbraw/zinc/88/03/55/556880355.db2.gz RVDVZBDCBVKSQJ-STZFKDTASA-N 0 0 448.316 5.480 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408891723 556881298 /nfs/dbraw/zinc/88/12/98/556881298.db2.gz CCQPRVMSQDQUJQ-KQWNVCNZSA-N 0 0 443.499 5.211 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408900933 556882280 /nfs/dbraw/zinc/88/22/80/556882280.db2.gz AFKQOFXUAYKACV-KGENOOAVSA-N 0 0 448.525 5.580 40 10 IKCBRN Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408901648 556882752 /nfs/dbraw/zinc/88/27/52/556882752.db2.gz GZLSXXYIIUODRQ-LFVJCYFKSA-N 0 0 440.593 6.404 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408902011 556883042 /nfs/dbraw/zinc/88/30/42/556883042.db2.gz JUSNTPMVSVJAOD-RGVLZGJSSA-N 0 0 442.968 6.292 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C ZINC000408902353 556885183 /nfs/dbraw/zinc/88/51/83/556885183.db2.gz NFBUBRVQDSKYJI-PXLXIMEGSA-N 0 0 432.614 6.371 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000409157957 556885252 /nfs/dbraw/zinc/88/52/52/556885252.db2.gz QSVHYYHCRLBXIH-WOVHNISZSA-N 0 0 428.557 7.022 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000408903074 556885461 /nfs/dbraw/zinc/88/54/61/556885461.db2.gz UINSTGFNQOQKSV-CIAFOILYSA-N 0 0 449.488 5.252 40 10 IKCBRN Cc1cccc(Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408902998 556885474 /nfs/dbraw/zinc/88/54/74/556885474.db2.gz UBBXUSSFHUMLAU-BUVRLJJBSA-N 0 0 440.593 6.404 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408903252 556885858 /nfs/dbraw/zinc/88/58/58/556885858.db2.gz WKPGMWXENGMXLD-KGENOOAVSA-N 0 0 448.525 5.580 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408935019 556895427 /nfs/dbraw/zinc/89/54/27/556895427.db2.gz BZSBIDJZZLMGBF-DEDYPNTBSA-N 0 0 437.326 6.379 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408936585 556895987 /nfs/dbraw/zinc/89/59/87/556895987.db2.gz GUVABRXWCNPXNB-PXLXIMEGSA-N 0 0 430.891 5.361 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c1C ZINC000408961923 556901056 /nfs/dbraw/zinc/90/10/56/556901056.db2.gz VPBLRPVUOLVYJQ-UCQKPKSFSA-N 0 0 447.966 5.711 40 10 IKCBRN Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1 ZINC000408963501 556901855 /nfs/dbraw/zinc/90/18/55/556901855.db2.gz FDASHOGYCPHFBO-JCMHNJIXSA-N 0 0 436.433 5.923 40 10 IKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(I)c1 ZINC000408967875 556903481 /nfs/dbraw/zinc/90/34/81/556903481.db2.gz VMZWQIOBINHVLG-UHFFFAOYSA-N 0 0 438.106 5.820 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(OCC)c3)C2=O)cc1 ZINC000408983820 556907925 /nfs/dbraw/zinc/90/79/25/556907925.db2.gz CYDMYISUZZCRIO-LTGZKZEYSA-N 0 0 445.946 6.609 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1 ZINC000408985042 556909059 /nfs/dbraw/zinc/90/90/59/556909059.db2.gz KSXHCKKTJGLUAX-LTGZKZEYSA-N 0 0 426.472 5.773 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408985549 556909269 /nfs/dbraw/zinc/90/92/69/556909269.db2.gz MTLIBWGDZXNUCO-XMHGGMMESA-N 0 0 436.338 6.863 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408985877 556909292 /nfs/dbraw/zinc/90/92/92/556909292.db2.gz NUSWAHQVVLDHCX-CJLVFECKSA-N 0 0 429.947 6.827 40 10 IKCBRN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408987359 556909821 /nfs/dbraw/zinc/90/98/21/556909821.db2.gz WVDKJKHVYUJLSI-LDADJPATSA-N 0 0 440.757 7.427 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408995691 556912123 /nfs/dbraw/zinc/91/21/23/556912123.db2.gz DGMMKSHTEGQBQV-PDGQHHTCSA-N 0 0 430.331 5.878 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408996234 556912442 /nfs/dbraw/zinc/91/24/42/556912442.db2.gz LRTZDAVJTGERCH-JJIBRWJFSA-N 0 0 440.499 5.015 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408998841 556913610 /nfs/dbraw/zinc/91/36/10/556913610.db2.gz UZVIVRPIJVVRRP-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000409002446 556914807 /nfs/dbraw/zinc/91/48/07/556914807.db2.gz UVDMZWKYAKAJIP-HAHDFKILSA-N 0 0 427.500 5.430 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409007747 556916741 /nfs/dbraw/zinc/91/67/41/556916741.db2.gz RDUFRBWELFSQRJ-JCMHNJIXSA-N 0 0 436.964 6.027 40 10 IKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409013237 556918925 /nfs/dbraw/zinc/91/89/25/556918925.db2.gz MPPCRRCSFAOPNB-ZDLGFXPLSA-N 0 0 447.362 5.482 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409023201 556923299 /nfs/dbraw/zinc/92/32/99/556923299.db2.gz YBNWTRATUIAJBP-UQQQWYQISA-N 0 0 439.511 5.138 40 10 IKCBRN CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc21 ZINC000409029373 556925175 /nfs/dbraw/zinc/92/51/75/556925175.db2.gz ACZAPTUKFUJJFP-UKTHLTGXSA-N 0 0 447.407 5.780 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Br)s1 ZINC000409030948 556927229 /nfs/dbraw/zinc/92/72/29/556927229.db2.gz FVVIRTJFYAWNIN-QPJJXVBHSA-N 0 0 437.187 5.012 40 10 IKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409060317 556937296 /nfs/dbraw/zinc/93/72/96/556937296.db2.gz PSPYHFHMDUBTHZ-JAIQZWGSSA-N 0 0 426.944 5.137 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409053654 556937712 /nfs/dbraw/zinc/93/77/12/556937712.db2.gz GRZDFTJYMMUTFD-QNGOZBTKSA-N 0 0 436.527 5.239 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409061749 556939387 /nfs/dbraw/zinc/93/93/87/556939387.db2.gz HFNZLFFZKHNJOH-HAHDFKILSA-N 0 0 436.527 5.239 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409062430 556940010 /nfs/dbraw/zinc/94/00/10/556940010.db2.gz USVLJTYFNUWDBL-UQQQWYQISA-N 0 0 440.543 5.670 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409071278 556945292 /nfs/dbraw/zinc/94/52/92/556945292.db2.gz QINLKVLUHGCPJJ-YDZHTSKRSA-N 0 0 433.939 5.968 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409073413 556946471 /nfs/dbraw/zinc/94/64/71/556946471.db2.gz MWIHJVIPFILPPD-CIAFOILYSA-N 0 0 437.902 5.288 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409081464 556947723 /nfs/dbraw/zinc/94/77/23/556947723.db2.gz PINQEBBRZJRRJH-JAIQZWGSSA-N 0 0 432.351 5.626 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3/C(=O)N(c4ccccc4)N=C3c3ccccc3)c2)cc1 ZINC000409079250 556948975 /nfs/dbraw/zinc/94/89/75/556948975.db2.gz AKBVYPYUUDDOLX-VFCFBJKWSA-N 0 0 444.534 6.409 40 10 IKCBRN Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409131507 556963346 /nfs/dbraw/zinc/96/33/46/556963346.db2.gz VXEGSVMQJZQRPC-MOSHPQCFSA-N 0 0 435.936 5.148 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S ZINC000409127474 556966107 /nfs/dbraw/zinc/96/61/07/556966107.db2.gz QFYMPEXIAPJASU-MOSHPQCFSA-N 0 0 426.538 5.081 40 10 IKCBRN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409130127 556967330 /nfs/dbraw/zinc/96/73/30/556967330.db2.gz LVSPYUSIHPPCHP-ZDLGFXPLSA-N 0 0 443.391 5.374 40 10 IKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 ZINC000409151470 556974980 /nfs/dbraw/zinc/97/49/80/556974980.db2.gz HBWBVVMRGGIBOU-FHSNZYRGSA-N 0 0 441.234 6.137 40 10 IKCBRN COc1ccc(Br)cc1[C@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 ZINC000020058213 556975351 /nfs/dbraw/zinc/97/53/51/556975351.db2.gz JEBCZXMFVXGEIS-KSMMKXTCSA-N 0 0 431.286 5.201 40 10 IKCBRN CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC1=S ZINC000409146814 556977481 /nfs/dbraw/zinc/97/74/81/556977481.db2.gz LEDNTPKYEUPWAK-MOSHPQCFSA-N 0 0 442.993 5.595 40 10 IKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 ZINC000409163945 556978236 /nfs/dbraw/zinc/97/82/36/556978236.db2.gz ACNJSLPWTUHKOZ-QHRIQVFBSA-N 0 0 448.744 5.724 40 10 IKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000409163944 556978299 /nfs/dbraw/zinc/97/82/99/556978299.db2.gz ACNJSLPWTUHKOZ-NQCMUKECSA-N 0 0 448.744 5.724 40 10 IKCBRN Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000409152907 556978582 /nfs/dbraw/zinc/97/85/82/556978582.db2.gz GNZHSXIVFVUGBX-RQTOMXEWSA-N 0 0 448.429 7.568 40 10 IKCBRN COC(=O)c1ccc([C@@H]2Nc3c(C)cc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409167603 556980748 /nfs/dbraw/zinc/98/07/48/556980748.db2.gz IWCZPXSLZNKQJV-DXBVXKBHSA-N 0 0 441.596 6.900 40 10 IKCBRN CCOc1c(Cl)cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000409162187 556981225 /nfs/dbraw/zinc/98/12/25/556981225.db2.gz SRHNKQAEFPSRFU-QGZVFWFLSA-N 0 0 440.417 5.406 40 10 IKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000409171189 556983734 /nfs/dbraw/zinc/98/37/34/556983734.db2.gz YONMCAHOFYTYER-ZYLNGJIFSA-N 0 0 448.975 7.367 40 10 IKCBRN Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409176246 556985897 /nfs/dbraw/zinc/98/58/97/556985897.db2.gz ZEEWUFXYZKASPQ-HWBMXIPRSA-N 0 0 448.429 7.568 40 10 IKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)c1 ZINC000409172813 556986582 /nfs/dbraw/zinc/98/65/82/556986582.db2.gz LOXFGLUKENNSDN-CZIZLABSSA-N 0 0 429.225 6.747 40 10 IKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OCC)c1 ZINC000409179405 556987631 /nfs/dbraw/zinc/98/76/31/556987631.db2.gz MUAVIUHROGZLOX-GIJQJNRQSA-N 0 0 437.945 5.682 40 10 IKCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000409175738 556992578 /nfs/dbraw/zinc/99/25/78/556992578.db2.gz BNGMLQZGOIHCNB-QVIHXGFCSA-N 0 0 435.527 7.114 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S ZINC000409194825 556993488 /nfs/dbraw/zinc/99/34/88/556993488.db2.gz NDXUXBOWIRGJDU-FYJGNVAPSA-N 0 0 438.549 5.360 40 10 IKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)Nc4ccccc43)c1C)CCCC2 ZINC000409197158 556994702 /nfs/dbraw/zinc/99/47/02/556994702.db2.gz XHZGRKDQWAJKTA-XSFVSMFZSA-N 0 0 446.572 5.704 40 10 IKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409197137 556994727 /nfs/dbraw/zinc/99/47/27/556994727.db2.gz WUMLRRSDQDJVOU-ZTKZIYFRSA-N 0 0 440.546 7.466 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2ccccc21 ZINC000409197423 556994988 /nfs/dbraw/zinc/99/49/88/556994988.db2.gz FBXMHUJKQURIDI-JJIBRWJFSA-N 0 0 442.946 6.281 40 10 IKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409197354 556995014 /nfs/dbraw/zinc/99/50/14/556995014.db2.gz CMNCVIHZWBLEFV-KOEQRZSOSA-N 0 0 435.483 6.221 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000409198366 556995439 /nfs/dbraw/zinc/99/54/39/556995439.db2.gz DWPGFTDIWIGXLH-BOPFTXTBSA-N 0 0 447.006 6.040 40 10 IKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\c4ccccc4N(C)C3=O)c2C)cc1 ZINC000409203225 557002136 /nfs/dbraw/zinc/00/21/36/557002136.db2.gz XAJCZSJKOJHXCK-JJIBRWJFSA-N 0 0 428.532 5.568 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)c2ccccc21 ZINC000409205634 557003675 /nfs/dbraw/zinc/00/36/75/557003675.db2.gz DJIQWKTTWQJTKC-OQKWZONESA-N 0 0 426.491 5.767 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c1 ZINC000409213822 557008384 /nfs/dbraw/zinc/00/83/84/557008384.db2.gz TXUXDZJRCIHDIA-UNOMPAQXSA-N 0 0 445.487 6.680 40 10 IKCBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409213828 557008410 /nfs/dbraw/zinc/00/84/10/557008410.db2.gz VJBFBNPLBKSFOE-HIPSJFSSSA-N 0 0 446.956 5.126 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccccc1F ZINC000409214657 557009140 /nfs/dbraw/zinc/00/91/40/557009140.db2.gz ZGPHSGOXXKTASK-WQRHYEAKSA-N 0 0 449.450 6.510 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S ZINC000409214689 557009227 /nfs/dbraw/zinc/00/92/27/557009227.db2.gz ZWFRJUGESBQECY-DHDCSXOGSA-N 0 0 435.324 5.072 40 10 IKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000020357349 557011343 /nfs/dbraw/zinc/01/13/43/557011343.db2.gz USDLBYONAFLMIO-TVZXLZGTSA-N 0 0 446.934 6.962 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409217305 557012279 /nfs/dbraw/zinc/01/22/79/557012279.db2.gz OWBLLDSAMMIEIA-NDENLUEZSA-N 0 0 436.514 5.565 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c2C)cc1 ZINC000409198270 557012482 /nfs/dbraw/zinc/01/24/82/557012482.db2.gz BJAFNOPRVJQDNU-ZXVVBBHZSA-N 0 0 434.539 6.712 40 10 IKCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000006144597 557013477 /nfs/dbraw/zinc/01/34/77/557013477.db2.gz WVDIMIVWIGYONS-AXHZCLLHSA-N 0 0 441.402 6.836 40 10 IKCBRN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409202574 557013760 /nfs/dbraw/zinc/01/37/60/557013760.db2.gz UQMPXRJNFHWDIX-KGENOOAVSA-N 0 0 428.492 5.095 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2ccccc21 ZINC000409201862 557014707 /nfs/dbraw/zinc/01/47/07/557014707.db2.gz QSPFSUXUCNCWCH-OQKWZONESA-N 0 0 442.946 6.281 40 10 IKCBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000409203931 557015270 /nfs/dbraw/zinc/01/52/70/557015270.db2.gz ZFCCTYKPZGOAOE-LPYMAVHISA-N 0 0 436.964 6.551 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000409207395 557018014 /nfs/dbraw/zinc/01/80/14/557018014.db2.gz UEMKKCRMQVDYMG-BKUYFWCQSA-N 0 0 438.549 5.360 40 10 IKCBRN CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409238244 557019771 /nfs/dbraw/zinc/01/97/71/557019771.db2.gz MEHCINMJEKFSMC-UDWIEESQSA-N 0 0 442.346 5.608 40 10 IKCBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409210008 557020271 /nfs/dbraw/zinc/02/02/71/557020271.db2.gz IYVUHBHKBYDETK-XDHOZWIPSA-N 0 0 446.956 5.127 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409231643 557023222 /nfs/dbraw/zinc/02/32/22/557023222.db2.gz DRNLLFUFUZJVPG-HYARGMPZSA-N 0 0 435.911 5.244 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409231905 557023586 /nfs/dbraw/zinc/02/35/86/557023586.db2.gz LUERQYIALOIXKK-RGVLZGJSSA-N 0 0 440.330 5.494 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409213525 557027629 /nfs/dbraw/zinc/02/76/29/557027629.db2.gz UQQKHPFXGKWFNK-ODLFYWEKSA-N 0 0 440.477 5.708 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409249331 557029765 /nfs/dbraw/zinc/02/97/65/557029765.db2.gz TWGWCCMTHHVDOK-OEAKJJBVSA-N 0 0 433.939 5.968 40 10 IKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000408530484 557030467 /nfs/dbraw/zinc/03/04/67/557030467.db2.gz LFZQRSKTHZWNPO-PXLXIMEGSA-N 0 0 433.623 6.860 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409216660 557031366 /nfs/dbraw/zinc/03/13/66/557031366.db2.gz NLQNTZQLFBRWHZ-KEBDBYFISA-N 0 0 426.900 6.128 40 10 IKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408532758 557031675 /nfs/dbraw/zinc/03/16/75/557031675.db2.gz QXYLXYMVCUXUCZ-XYGWBWBKSA-N 0 0 445.994 6.526 40 10 IKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(C)c(Cl)c1 ZINC000408532607 557031697 /nfs/dbraw/zinc/03/16/97/557031697.db2.gz QMGPOTBELFPIFV-YBEGLDIGSA-N 0 0 432.749 5.746 40 10 IKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1 ZINC000408533042 557031896 /nfs/dbraw/zinc/03/18/96/557031896.db2.gz PKXUQSRRBPBYNO-JCMHNJIXSA-N 0 0 433.623 6.860 40 10 IKCBRN CCCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000408533307 557032433 /nfs/dbraw/zinc/03/24/33/557032433.db2.gz QIIOAPJCZRUOKM-NKFKGCMQSA-N 0 0 430.935 6.353 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409243127 557032893 /nfs/dbraw/zinc/03/28/93/557032893.db2.gz YUQZIESTVJBNDI-MFKUBSTISA-N 0 0 427.548 5.619 40 10 IKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000408536762 557033090 /nfs/dbraw/zinc/03/30/90/557033090.db2.gz XXCILWXTPDPSOS-XYGWBWBKSA-N 0 0 429.539 6.012 40 10 IKCBRN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409222204 557044336 /nfs/dbraw/zinc/04/43/36/557044336.db2.gz VYWGTBVMPXTCQB-ULJHMMPZSA-N 0 0 446.572 5.834 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409223931 557046168 /nfs/dbraw/zinc/04/61/68/557046168.db2.gz GRMWZCPTNDRZHJ-LPYMAVHISA-N 0 0 433.939 5.457 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(C)C ZINC000409327061 557061648 /nfs/dbraw/zinc/06/16/48/557061648.db2.gz HGJGRFMGUCTHDX-OEAKJJBVSA-N 0 0 449.597 6.289 40 10 IKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)c1 ZINC000409328267 557062541 /nfs/dbraw/zinc/06/25/41/557062541.db2.gz QYWCGVMLKTWMHW-HYARGMPZSA-N 0 0 449.622 6.393 40 10 IKCBRN O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409328612 557062897 /nfs/dbraw/zinc/06/28/97/557062897.db2.gz YSQUJPKPIKBHLD-SFQUDFHCSA-N 0 0 440.527 5.745 40 10 IKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409328702 557062906 /nfs/dbraw/zinc/06/29/06/557062906.db2.gz ADVIUNYFROWCQO-XSFVSMFZSA-N 0 0 429.563 5.289 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)cc1Cl ZINC000408599516 557063080 /nfs/dbraw/zinc/06/30/80/557063080.db2.gz IJTPQRGZCQUMCE-GRSHGNNSSA-N 0 0 433.982 5.789 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1OC ZINC000409329089 557063503 /nfs/dbraw/zinc/06/35/03/557063503.db2.gz CQIIFOQSQFVODC-XDHOZWIPSA-N 0 0 441.961 5.916 40 10 IKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(CC)C1=O ZINC000409329391 557063878 /nfs/dbraw/zinc/06/38/78/557063878.db2.gz FFTLOMMOYZIWQK-NHDPSOOVSA-N 0 0 427.635 5.774 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000409332110 557065607 /nfs/dbraw/zinc/06/56/07/557065607.db2.gz PKHPNELMRVOBDH-CHHVJCJISA-N 0 0 441.317 5.316 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409340052 557067907 /nfs/dbraw/zinc/06/79/07/557067907.db2.gz PPYKYJKGQCSNBG-JCMHNJIXSA-N 0 0 441.618 6.287 40 10 IKCBRN O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409340578 557068086 /nfs/dbraw/zinc/06/80/86/557068086.db2.gz ZOOWKMPQQWVGDM-AUWJEWJLSA-N 0 0 434.291 6.418 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409340478 557068187 /nfs/dbraw/zinc/06/81/87/557068187.db2.gz XUNXYXIDOHEGRP-ODLFYWEKSA-N 0 0 440.477 5.708 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000409341408 557069109 /nfs/dbraw/zinc/06/91/09/557069109.db2.gz AKVHJEWBMHDSOW-QNGOZBTKSA-N 0 0 427.591 5.978 40 10 IKCBRN O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409342021 557069699 /nfs/dbraw/zinc/06/96/99/557069699.db2.gz BBTFBNWKCLDELY-QGOAFFKASA-N 0 0 445.407 5.455 40 10 IKCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409342919 557070291 /nfs/dbraw/zinc/07/02/91/557070291.db2.gz BZSROQQEMXKRRP-HTMJNSLASA-N 0 0 446.981 5.064 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000409336709 557072754 /nfs/dbraw/zinc/07/27/54/557072754.db2.gz UFQNOAHDFXABSH-PDGQHHTCSA-N 0 0 427.903 5.654 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(C)C ZINC000409338021 557073086 /nfs/dbraw/zinc/07/30/86/557073086.db2.gz BPYBOAQSRNCKGX-JAIQZWGSSA-N 0 0 445.631 5.858 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000409338732 557073744 /nfs/dbraw/zinc/07/37/44/557073744.db2.gz PBUCHPIGYYFLTK-UNOMPAQXSA-N 0 0 433.982 5.932 40 10 IKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409346892 557075209 /nfs/dbraw/zinc/07/52/09/557075209.db2.gz OPZJMSMDBQZEHK-WSDLNYQXSA-N 0 0 447.537 5.400 40 10 IKCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409347362 557075605 /nfs/dbraw/zinc/07/56/05/557075605.db2.gz LXRSNGBUYQAWGU-WQRHYEAKSA-N 0 0 435.401 5.999 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409347466 557075657 /nfs/dbraw/zinc/07/56/57/557075657.db2.gz PZJGBKITSWTLCI-XDHOZWIPSA-N 0 0 444.534 5.188 40 10 IKCBRN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409348409 557076488 /nfs/dbraw/zinc/07/64/88/557076488.db2.gz SLWAPQWOSILMOU-VGOFMYFVSA-N 0 0 445.190 6.162 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC1=S ZINC000409348560 557076527 /nfs/dbraw/zinc/07/65/27/557076527.db2.gz OQXOPBNFXKVTLC-PDGQHHTCSA-N 0 0 448.407 5.639 40 10 IKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 ZINC000409234825 557076662 /nfs/dbraw/zinc/07/66/62/557076662.db2.gz MVSLSJDKFIDRQN-CJLVFECKSA-N 0 0 426.582 5.510 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(OCC)c3)SC2=S)cc1 ZINC000409349059 557077153 /nfs/dbraw/zinc/07/71/53/557077153.db2.gz UJMVWEFWPYIWTE-KGENOOAVSA-N 0 0 443.590 5.677 40 10 IKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409350639 557078498 /nfs/dbraw/zinc/07/84/98/557078498.db2.gz YRPVCPOOLBKNAL-BOPFTXTBSA-N 0 0 434.380 5.642 40 10 IKCBRN C[C@H]1CC(C)(C)N(C)c2ccc(C=C3SC(Nc4cccc(Cl)c4)=NC3=O)cc21 ZINC000208192363 557078755 /nfs/dbraw/zinc/07/87/55/557078755.db2.gz FUFLGMYVSMEAGX-GNKPEBMXSA-N 0 0 425.985 6.144 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC ZINC000409351261 557079046 /nfs/dbraw/zinc/07/90/46/557079046.db2.gz SRRYCXWGDHDGJO-MFOYZWKCSA-N 0 0 440.373 5.807 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)cc1 ZINC000208196797 557079144 /nfs/dbraw/zinc/07/91/44/557079144.db2.gz WRFHLBJREPARFQ-VOMLJKFNSA-N 0 0 435.593 5.890 40 10 IKCBRN Cc1cc2c(cc1C=C1SC(Nc3cccc(Cl)c3)=NC1=O)[C@@H](C)CC(C)(C)N2C ZINC000208233109 557079700 /nfs/dbraw/zinc/07/97/00/557079700.db2.gz LWVIVGFTBNTCPW-SYZMQFJCSA-N 0 0 440.012 6.453 40 10 IKCBRN Cc1cc2c(cc1C=C1SC(Nc3ccc(Cl)cc3)=NC1=O)[C@@H](C)CC(C)(C)N2C ZINC000208232459 557079764 /nfs/dbraw/zinc/07/97/64/557079764.db2.gz WWPCLVBPYTXSET-RANIVTSPSA-N 0 0 440.012 6.453 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409241275 557079748 /nfs/dbraw/zinc/07/97/48/557079748.db2.gz SRBHCHWRXYZWHE-SFQUDFHCSA-N 0 0 448.748 5.046 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)SC1=S ZINC000409352670 557079991 /nfs/dbraw/zinc/07/99/91/557079991.db2.gz YHQYRPKVOYBSIF-WQRHYEAKSA-N 0 0 448.407 5.951 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(C)C ZINC000409352944 557079998 /nfs/dbraw/zinc/07/99/98/557079998.db2.gz ZQMDBEHKDIORGR-BKUYFWCQSA-N 0 0 442.606 5.202 40 10 IKCBRN O=C1S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409243010 557080024 /nfs/dbraw/zinc/08/00/24/557080024.db2.gz UHTYHHDYABYHKN-DEDYPNTBSA-N 0 0 430.932 5.706 40 10 IKCBRN Cc1cccc(NC2=NC(=O)C(=Cc3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)c1 ZINC000208242434 557080041 /nfs/dbraw/zinc/08/00/41/557080041.db2.gz PPVUUBRPDLUHFJ-SYZMQFJCSA-N 0 0 440.012 6.453 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409245403 557080360 /nfs/dbraw/zinc/08/03/60/557080360.db2.gz SFJFMUOHOQYTDJ-XDHOZWIPSA-N 0 0 440.330 5.494 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)S2)cc1 ZINC000208315676 557080513 /nfs/dbraw/zinc/08/05/13/557080513.db2.gz WMEJDQNFQSKVDD-XHFXOGKZSA-N 0 0 447.648 6.752 40 10 IKCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409245074 557080459 /nfs/dbraw/zinc/08/04/59/557080459.db2.gz NAOWYBQNCJXCBJ-BUVRLJJBSA-N 0 0 447.510 5.115 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409250858 557081024 /nfs/dbraw/zinc/08/10/24/557081024.db2.gz OKEDJOADVFMEPH-RGVLZGJSSA-N 0 0 440.330 5.807 40 10 IKCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409346160 557082279 /nfs/dbraw/zinc/08/22/79/557082279.db2.gz NKQUIOUAROYUDO-MKMNVTDBSA-N 0 0 445.736 5.961 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(F)F ZINC000409364085 557083406 /nfs/dbraw/zinc/08/34/06/557083406.db2.gz VDFBZMWUUHDONF-BOPFTXTBSA-N 0 0 437.489 5.101 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C=C4C)S2)cc1 ZINC000208452285 557087858 /nfs/dbraw/zinc/08/78/58/557087858.db2.gz HPXSVRPNEKOYRZ-UCQKPKSFSA-N 0 0 447.604 6.108 40 10 IKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 ZINC000208470385 557091788 /nfs/dbraw/zinc/09/17/88/557091788.db2.gz RCTHOWXJXPUTHE-JMIUGGIZSA-N 0 0 439.918 5.204 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)S2)cc1 ZINC000208471142 557092281 /nfs/dbraw/zinc/09/22/81/557092281.db2.gz SUOJQFCUBUQFNI-NHDPSOOVSA-N 0 0 437.996 6.363 40 10 IKCBRN Cc1ccccc1NC1=NC(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)S1 ZINC000208472680 557092616 /nfs/dbraw/zinc/09/26/16/557092616.db2.gz KKKZRIFZAKGSFX-NHDPSOOVSA-N 0 0 437.996 6.363 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4cccc(C)c4C)=NC3=O)cc2C(C)=CC1(C)C ZINC000208505433 557093151 /nfs/dbraw/zinc/09/31/51/557093151.db2.gz OVUAEGDPMZRZRI-UCQKPKSFSA-N 0 0 431.605 6.408 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208510031 557093271 /nfs/dbraw/zinc/09/32/71/557093271.db2.gz GUTBCUFGZXHVEA-XKZIYDEJSA-N 0 0 436.552 6.084 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4cccc(Cl)c4)=NC3=O)cc2C(C)=CC1(C)C ZINC000208504769 557093329 /nfs/dbraw/zinc/09/33/29/557093329.db2.gz RFDODCQHQRFRCK-MTJSOVHGSA-N 0 0 437.996 6.444 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000409378677 557094032 /nfs/dbraw/zinc/09/40/32/557094032.db2.gz RLGOSXMKEWVSJX-BOPFTXTBSA-N 0 0 433.451 5.305 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccccc1Cl ZINC000409391562 557096211 /nfs/dbraw/zinc/09/62/11/557096211.db2.gz IQDXEFLKGTZORY-UUYOSTAYSA-N 0 0 433.964 5.135 40 10 IKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc12 ZINC000409328215 557111508 /nfs/dbraw/zinc/11/15/08/557111508.db2.gz QBHPRLASRUDIGL-GRSHGNNSSA-N 0 0 446.380 6.561 40 10 IKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409327982 557111525 /nfs/dbraw/zinc/11/15/25/557111525.db2.gz OPULLLQWXHJTKG-CPNJWEJPSA-N 0 0 444.534 5.188 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000100208135 557111602 /nfs/dbraw/zinc/11/16/02/557111602.db2.gz CXQXMGPFOZRLJR-UYRXBGFRSA-N 0 0 426.310 5.025 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1Cl ZINC000409329642 557111710 /nfs/dbraw/zinc/11/17/10/557111710.db2.gz GVXSZVHZDSLFLL-XDHOZWIPSA-N 0 0 430.982 5.355 40 10 IKCBRN CCc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409330330 557112093 /nfs/dbraw/zinc/11/20/93/557112093.db2.gz LDAHYYZEVCYTGN-SXGWCWSVSA-N 0 0 438.799 6.071 40 10 IKCBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O ZINC000409330277 557112212 /nfs/dbraw/zinc/11/22/12/557112212.db2.gz KNYWHBGKDXMFCK-XQNSMLJCSA-N 0 0 433.598 6.733 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl ZINC000100311490 557112704 /nfs/dbraw/zinc/11/27/04/557112704.db2.gz ACPLARRZRGBBHH-KGENOOAVSA-N 0 0 432.907 5.734 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409332211 557112953 /nfs/dbraw/zinc/11/29/53/557112953.db2.gz QJWFERYTSKGRPG-OTGIAGGSSA-N 0 0 433.982 5.932 40 10 IKCBRN CCCn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 ZINC000409333549 557113300 /nfs/dbraw/zinc/11/33/00/557113300.db2.gz UKISDNUPSNUBGU-GRSHGNNSSA-N 0 0 430.957 6.250 40 10 IKCBRN O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409333735 557113322 /nfs/dbraw/zinc/11/33/22/557113322.db2.gz VKPYDLSCOKVFHD-RIYZIHGNSA-N 0 0 426.744 5.214 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000409332855 557113378 /nfs/dbraw/zinc/11/33/78/557113378.db2.gz SDVHNVRAMZFRON-ODLFYWEKSA-N 0 0 444.534 5.187 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C ZINC000409332303 557113400 /nfs/dbraw/zinc/11/34/00/557113400.db2.gz QDFQNSXLODIASS-YBFXNURJSA-N 0 0 433.982 5.789 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(OC)c3)SC2=S)cc1 ZINC000409334269 557113559 /nfs/dbraw/zinc/11/35/59/557113559.db2.gz WMSDOJHYSXMUKA-XWCAUFEOSA-N 0 0 443.590 5.677 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccncc1 ZINC000409335127 557113705 /nfs/dbraw/zinc/11/37/05/557113705.db2.gz YWYJEXBRNYVXKI-HMAPJEAMSA-N 0 0 448.569 5.383 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)CC ZINC000409338623 557115942 /nfs/dbraw/zinc/11/59/42/557115942.db2.gz NDLFQERVNCWTNJ-XWCAUFEOSA-N 0 0 443.590 5.677 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(OCC)ccc4ccccc43)SC2=S)cc1 ZINC000409338972 557116002 /nfs/dbraw/zinc/11/60/02/557116002.db2.gz CQMGANQJJGRDJP-PXLXIMEGSA-N 0 0 435.570 6.043 40 10 IKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000409339106 557116010 /nfs/dbraw/zinc/11/60/10/557116010.db2.gz DYURGXYABQJVGX-XQNSMLJCSA-N 0 0 449.597 6.433 40 10 IKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409338975 557116034 /nfs/dbraw/zinc/11/60/34/557116034.db2.gz CRZOBUDKERWGGT-UDWIEESQSA-N 0 0 442.562 6.006 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409339161 557116538 /nfs/dbraw/zinc/11/65/38/557116538.db2.gz FJJXMIRNFQCAQD-XSFVSMFZSA-N 0 0 448.009 6.323 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O ZINC000409339206 557116607 /nfs/dbraw/zinc/11/66/07/557116607.db2.gz FPZCJPJVOCKIRD-WQRHYEAKSA-N 0 0 433.938 5.070 40 10 IKCBRN CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409339412 557116913 /nfs/dbraw/zinc/11/69/13/557116913.db2.gz VDFNGMIWLIMVSZ-WJDWOHSUSA-N 0 0 426.401 5.382 40 10 IKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(CCC)C2=O)cc1OCC ZINC000409339402 557116947 /nfs/dbraw/zinc/11/69/47/557116947.db2.gz UZOIHEWMWOIJFD-RVDMUPIBSA-N 0 0 444.416 5.248 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S ZINC000409341778 557120580 /nfs/dbraw/zinc/12/05/80/557120580.db2.gz CBKHGRAIMMBNAO-JCMHNJIXSA-N 0 0 440.634 5.723 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C ZINC000409342186 557120927 /nfs/dbraw/zinc/12/09/27/557120927.db2.gz CQAGIZGEOQZPRZ-KEBDBYFISA-N 0 0 443.546 5.007 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(C)C ZINC000409343227 557121476 /nfs/dbraw/zinc/12/14/76/557121476.db2.gz DCLGZSUPHACPBR-XKZIYDEJSA-N 0 0 441.618 6.143 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409344339 557124199 /nfs/dbraw/zinc/12/41/99/557124199.db2.gz IQYQTLLZQVNXSL-WOJGMQOQSA-N 0 0 438.401 6.578 40 10 IKCBRN CCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000409344592 557124372 /nfs/dbraw/zinc/12/43/72/557124372.db2.gz HIOGWJTYDRMCNU-JAIQZWGSSA-N 0 0 444.984 6.093 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(C)C ZINC000409345845 557126765 /nfs/dbraw/zinc/12/67/65/557126765.db2.gz MJRMESZUJJALIM-FYJGNVAPSA-N 0 0 427.591 5.522 40 10 IKCBRN CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409346387 557127062 /nfs/dbraw/zinc/12/70/62/557127062.db2.gz KDKYLTHMFJXWSC-YBEGLDIGSA-N 0 0 438.343 5.393 40 10 IKCBRN CCCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OCC)SC1=S ZINC000409348347 557127411 /nfs/dbraw/zinc/12/74/11/557127411.db2.gz SFMHBOOAYYINIU-UUYOSTAYSA-N 0 0 441.662 6.164 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409348276 557128142 /nfs/dbraw/zinc/12/81/42/557128142.db2.gz RVDXLPMIKNGLFF-ODLFYWEKSA-N 0 0 449.428 6.308 40 10 IKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)SC1=S ZINC000409349220 557128430 /nfs/dbraw/zinc/12/84/30/557128430.db2.gz VKJMUEGXYQQHIY-NDENLUEZSA-N 0 0 429.563 5.144 40 10 IKCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409348369 557128828 /nfs/dbraw/zinc/12/88/28/557128828.db2.gz SGADFGPAOBMCBM-PDGQHHTCSA-N 0 0 434.508 5.711 40 10 IKCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409350139 557129339 /nfs/dbraw/zinc/12/93/39/557129339.db2.gz XPXASCUVDAVARJ-CIAFOILYSA-N 0 0 435.526 5.373 40 10 IKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409348626 557129374 /nfs/dbraw/zinc/12/93/74/557129374.db2.gz NXHQNEAFWRJFHA-WOJGMQOQSA-N 0 0 448.407 5.870 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409348650 557129406 /nfs/dbraw/zinc/12/94/06/557129406.db2.gz OCYAGEYSHARNOT-CFFVULROSA-N 0 0 443.546 5.007 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)=O ZINC000409348453 557129410 /nfs/dbraw/zinc/12/94/10/557129410.db2.gz NOURFJNLXDMEOG-NDENLUEZSA-N 0 0 427.547 5.033 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000409350666 557129466 /nfs/dbraw/zinc/12/94/66/557129466.db2.gz RXWVSZUHRGLIRA-MOSHPQCFSA-N 0 0 435.530 5.159 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)SC2=S)cc1 ZINC000409349843 557129926 /nfs/dbraw/zinc/12/99/26/557129926.db2.gz WGUHMHPCECJKOK-QGOAFFKASA-N 0 0 425.556 5.845 40 10 IKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409349844 557130160 /nfs/dbraw/zinc/13/01/60/557130160.db2.gz RBULYSXRFDDISC-STZFKDTASA-N 0 0 427.591 5.897 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1 ZINC000409352088 557130527 /nfs/dbraw/zinc/13/05/27/557130527.db2.gz WAVJFYLGRCYWQQ-WQRHYEAKSA-N 0 0 446.380 6.968 40 10 IKCBRN CCOc1c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC ZINC000409352646 557132755 /nfs/dbraw/zinc/13/27/55/557132755.db2.gz YDWDPUUGAPPYLL-SXGWCWSVSA-N 0 0 440.373 5.807 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1C1CCCCC1 ZINC000409352862 557133739 /nfs/dbraw/zinc/13/37/39/557133739.db2.gz YZJNTCYFSMQLJT-WQRHYEAKSA-N 0 0 448.953 6.042 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(F)F ZINC000409353582 557134839 /nfs/dbraw/zinc/13/48/39/557134839.db2.gz NULLRXJGXPJWMG-SXGWCWSVSA-N 0 0 439.530 5.424 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408722270 557136136 /nfs/dbraw/zinc/13/61/36/557136136.db2.gz GCPUGOOXIXURHM-ZHZULCJRSA-N 0 0 433.301 6.009 40 10 IKCBRN O=C(Nc1cccc(Br)c1)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408721939 557136180 /nfs/dbraw/zinc/13/61/80/557136180.db2.gz NELOUIITOQHLKJ-UHFFFAOYSA-N 0 0 428.289 5.951 40 10 IKCBRN COc1ccc2cc(C3=C/C(=C/c4ccc(OCc5ccccc5)cc4)C(=O)O3)ccc2c1 ZINC000408723437 557136962 /nfs/dbraw/zinc/13/69/62/557136962.db2.gz USYYZOVUCYXHCJ-MYYYXRDXSA-N 0 0 434.491 6.409 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409360090 557137411 /nfs/dbraw/zinc/13/74/11/557137411.db2.gz OWWALOVDNIMSSN-UDWIEESQSA-N 0 0 442.462 6.354 40 10 IKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 ZINC000103918452 557140383 /nfs/dbraw/zinc/14/03/83/557140383.db2.gz UPVYRXFJPGDWBK-BWAHOGKJSA-N 0 0 430.552 5.094 40 10 IKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(Br)c1 ZINC000103918873 557140427 /nfs/dbraw/zinc/14/04/27/557140427.db2.gz PYBWPDQSGWJANT-UYRXBGFRSA-N 0 0 443.301 5.246 40 10 IKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 ZINC000103917966 557140750 /nfs/dbraw/zinc/14/07/50/557140750.db2.gz DCRFGEBEWMLVKE-JWGURIENSA-N 0 0 444.000 5.507 40 10 IKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCCC1 ZINC000409382040 557141291 /nfs/dbraw/zinc/14/12/91/557141291.db2.gz KAXIHZIKLSZQHM-QTEQDKRBSA-N 0 0 437.381 5.902 40 10 IKCBRN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccccc1 ZINC000409388397 557142239 /nfs/dbraw/zinc/14/22/39/557142239.db2.gz VBVUAYZTKVWZCP-UUASQNMZSA-N 0 0 434.325 5.506 40 10 IKCBRN CN(C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000408734669 557142409 /nfs/dbraw/zinc/14/24/09/557142409.db2.gz BOJYDFIGGUEHSW-UHFFFAOYSA-N 0 0 428.495 6.758 40 10 IKCBRN CN(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000408735010 557142640 /nfs/dbraw/zinc/14/26/40/557142640.db2.gz JATOVIPTEYUBQI-UHFFFAOYSA-N 0 0 445.547 6.890 40 10 IKCBRN CC1CCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 ZINC000408735211 557142688 /nfs/dbraw/zinc/14/26/88/557142688.db2.gz MEGIIHYEGVFIOB-UHFFFAOYSA-N 0 0 436.584 6.518 40 10 IKCBRN COc1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408735007 557142715 /nfs/dbraw/zinc/14/27/15/557142715.db2.gz IYXXQZWQFBUQKL-UHFFFAOYSA-N 0 0 444.494 6.742 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409394266 557142890 /nfs/dbraw/zinc/14/28/90/557142890.db2.gz XYJORPQECILTFE-CFRMEGHHSA-N 0 0 427.573 5.098 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736120 557143513 /nfs/dbraw/zinc/14/35/13/557143513.db2.gz GKSPBLSTCUGYAY-OHUGHZGNSA-N 0 0 448.360 7.077 40 10 IKCBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 ZINC000408736068 557143528 /nfs/dbraw/zinc/14/35/28/557143528.db2.gz CVBMXRGQNPODPV-SWYRRKHMSA-N 0 0 428.488 6.009 40 10 IKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4ccc(Br)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736094 557143638 /nfs/dbraw/zinc/14/36/38/557143638.db2.gz FBOJGKLZYSHIKP-UMFSSWHCSA-N 0 0 446.388 7.163 40 10 IKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736234 557143872 /nfs/dbraw/zinc/14/38/72/557143872.db2.gz MZACXPADUHMBLG-SLSDLSHTSA-N 0 0 436.382 7.707 40 10 IKCBRN Clc1ccccc1COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736124 557143933 /nfs/dbraw/zinc/14/39/33/557143933.db2.gz GPYMUMHLVZDGLD-QQNWGBJXSA-N 0 0 437.970 7.899 40 10 IKCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409399862 557144149 /nfs/dbraw/zinc/14/41/49/557144149.db2.gz OCEFQLGDWULTPT-HAHDFKILSA-N 0 0 441.918 5.113 40 10 IKCBRN O=C(Oc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000408736448 557144163 /nfs/dbraw/zinc/14/41/63/557144163.db2.gz TXGTUDAOIATDHN-DPLHUUCSSA-N 0 0 446.344 6.495 40 10 IKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736495 557144477 /nfs/dbraw/zinc/14/44/77/557144477.db2.gz WQAWAPKKHWITJQ-UMFSSWHCSA-N 0 0 425.528 6.187 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408739221 557147015 /nfs/dbraw/zinc/14/70/15/557147015.db2.gz UIUFOZJEHQCGNV-XSFVSMFZSA-N 0 0 446.344 6.237 40 10 IKCBRN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000006177819 557147715 /nfs/dbraw/zinc/14/77/15/557147715.db2.gz HQFFZZSTEKGDEM-UHFFFAOYSA-N 0 0 441.527 5.905 40 10 IKCBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408740833 557149020 /nfs/dbraw/zinc/14/90/20/557149020.db2.gz MZLVMCPBRLDHME-WSDLNYQXSA-N 0 0 433.964 5.135 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1F ZINC000408740688 557149121 /nfs/dbraw/zinc/14/91/21/557149121.db2.gz DGIDDEMIHMPIEF-HYARGMPZSA-N 0 0 430.475 6.093 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408740993 557149365 /nfs/dbraw/zinc/14/93/65/557149365.db2.gz GFPZXXWDAYKUER-CIAFOILYSA-N 0 0 443.455 5.472 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1cccc(F)c1 ZINC000408744075 557156307 /nfs/dbraw/zinc/15/63/07/557156307.db2.gz WFIVGVHPXRJENO-FYJGNVAPSA-N 0 0 446.474 5.793 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000106689082 557157644 /nfs/dbraw/zinc/15/76/44/557157644.db2.gz NUEXSDBUQUPRPU-NDENLUEZSA-N 0 0 430.957 5.431 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000106703427 557157999 /nfs/dbraw/zinc/15/79/99/557157999.db2.gz HHCQYVLJJDRIOC-XKZIYDEJSA-N 0 0 436.964 6.292 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2Cl)cc1 ZINC000408752722 557160659 /nfs/dbraw/zinc/16/06/59/557160659.db2.gz GIJRLVWHADHJSL-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C)C2=O)cc1OC ZINC000408752190 557160760 /nfs/dbraw/zinc/16/07/60/557160760.db2.gz BYZAMDFASMTNCD-XSFVSMFZSA-N 0 0 431.919 6.137 40 10 IKCBRN Cc1cc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408755922 557161038 /nfs/dbraw/zinc/16/10/38/557161038.db2.gz NVCXSWOAAPZOIC-YUMHPJSZSA-N 0 0 433.551 7.154 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 ZINC000408753725 557164986 /nfs/dbraw/zinc/16/49/86/557164986.db2.gz HNGKWWXJBSYSJF-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408754147 557165536 /nfs/dbraw/zinc/16/55/36/557165536.db2.gz MEJAJZOGNVJXJL-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000408754246 557165593 /nfs/dbraw/zinc/16/55/93/557165593.db2.gz JKZSTDXMERQSSP-KGENOOAVSA-N 0 0 431.919 5.824 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408754235 557165641 /nfs/dbraw/zinc/16/56/41/557165641.db2.gz JGMZCLNQPKJFCT-ATVHPVEESA-N 0 0 440.301 6.612 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)cc1 ZINC000408754327 557165884 /nfs/dbraw/zinc/16/58/84/557165884.db2.gz MSFVGWLJOQNTHM-CIAFOILYSA-N 0 0 441.289 5.976 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000408754502 557166282 /nfs/dbraw/zinc/16/62/82/557166282.db2.gz KORKCPJBPRNVHF-DEDYPNTBSA-N 0 0 437.268 5.128 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408755104 557167347 /nfs/dbraw/zinc/16/73/47/557167347.db2.gz MLZFLBBZPSKKBM-JJIBRWJFSA-N 0 0 440.499 5.015 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(F)cc2)c1 ZINC000408755649 557167713 /nfs/dbraw/zinc/16/77/13/557167713.db2.gz RPXVVTDWDRFIRD-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408755440 557167723 /nfs/dbraw/zinc/16/77/23/557167723.db2.gz UVZVXKQDBJQCHX-ZHZULCJRSA-N 0 0 445.902 5.607 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408756736 557168724 /nfs/dbraw/zinc/16/87/24/557168724.db2.gz SWDZEVCMQBCFBJ-HYARGMPZSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408757013 557169494 /nfs/dbraw/zinc/16/94/94/557169494.db2.gz VRKPFTBGXCDACQ-XQNSMLJCSA-N 0 0 431.923 5.249 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3C(C)C)C2=O)cc1 ZINC000408757635 557169781 /nfs/dbraw/zinc/16/97/81/557169781.db2.gz BDDQOYXCXPUFAH-PGMHBOJBSA-N 0 0 429.947 6.943 40 10 IKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 ZINC000008674143 557170402 /nfs/dbraw/zinc/17/04/02/557170402.db2.gz PFQNHRYYMFBGDS-SGIRGMQISA-N 0 0 434.536 5.761 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408758083 557171145 /nfs/dbraw/zinc/17/11/45/557171145.db2.gz GKWTXWUKNIOXRB-NLRVBDNBSA-N 0 0 434.495 5.692 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3O)C2=O)cc1 ZINC000408758241 557171974 /nfs/dbraw/zinc/17/19/74/557171974.db2.gz HVZFGOWYPGYCOW-ATVHPVEESA-N 0 0 438.310 6.179 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408761065 557174990 /nfs/dbraw/zinc/17/49/90/557174990.db2.gz HFXRDOFYPLLWIE-DEDYPNTBSA-N 0 0 436.870 5.331 40 10 IKCBRN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218000427 557175012 /nfs/dbraw/zinc/17/50/12/557175012.db2.gz IFSHFHMTUAZVRV-YADHBBJMSA-N 0 0 444.644 6.706 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2F)cc1 ZINC000408761238 557175731 /nfs/dbraw/zinc/17/57/31/557175731.db2.gz DFBLLVJDXSELCJ-HZHRSRAPSA-N 0 0 446.478 5.076 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(F)cc2)cc1 ZINC000408761590 557175973 /nfs/dbraw/zinc/17/59/73/557175973.db2.gz GPZLSPNKXBUSFO-PXLXIMEGSA-N 0 0 446.478 5.076 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408761609 557176051 /nfs/dbraw/zinc/17/60/51/557176051.db2.gz HBNSASUVIWYCNT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408761679 557176056 /nfs/dbraw/zinc/17/60/56/557176056.db2.gz ARZIXRLRTXXDPY-XMHGGMMESA-N 0 0 447.918 5.837 40 10 IKCBRN COc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000408762244 557176669 /nfs/dbraw/zinc/17/66/69/557176669.db2.gz AIFOUYPHCQNYLU-QNGOZBTKSA-N 0 0 429.903 6.023 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408760182 557178197 /nfs/dbraw/zinc/17/81/97/557178197.db2.gz TYQMKPOJAXGOMO-HYARGMPZSA-N 0 0 447.332 5.601 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000408760560 557178227 /nfs/dbraw/zinc/17/82/27/557178227.db2.gz AUNIQQGKAXSRLT-RGVLZGJSSA-N 0 0 443.717 6.187 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 ZINC000408760588 557178287 /nfs/dbraw/zinc/17/82/87/557178287.db2.gz BGUPOERSXAVGNM-SFQUDFHCSA-N 0 0 436.945 6.156 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408763639 557181158 /nfs/dbraw/zinc/18/11/58/557181158.db2.gz QAKFRYGTDAAXHK-DEDYPNTBSA-N 0 0 427.718 6.481 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)cc1 ZINC000408764201 557182015 /nfs/dbraw/zinc/18/20/15/557182015.db2.gz WJSPDGJEGNQFNT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408764240 557182121 /nfs/dbraw/zinc/18/21/21/557182121.db2.gz WMDZOQCDSJNFOC-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1I)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218217070 557182705 /nfs/dbraw/zinc/18/27/05/557182705.db2.gz RBSSAUXJOJLJQJ-HZPDHXFCSA-N 0 0 448.348 5.019 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408764640 557182730 /nfs/dbraw/zinc/18/27/30/557182730.db2.gz SEDUOECANCYUKJ-DEDYPNTBSA-N 0 0 436.870 5.331 40 10 IKCBRN CCOc1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)C=C1c1ccc(Cl)cc1 ZINC000408763265 557183120 /nfs/dbraw/zinc/18/31/20/557183120.db2.gz INOFTYORACLBGW-SILNSSARSA-N 0 0 431.919 6.219 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408763026 557183136 /nfs/dbraw/zinc/18/31/36/557183136.db2.gz GWPNKSGPIKCXOT-DEDYPNTBSA-N 0 0 438.270 5.736 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408765505 557187367 /nfs/dbraw/zinc/18/73/67/557187367.db2.gz LNXQTQORTPEFKN-XQNSMLJCSA-N 0 0 427.460 5.136 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)c1 ZINC000408765551 557187667 /nfs/dbraw/zinc/18/76/67/557187667.db2.gz YOSYUJJVHMBVNZ-QGOAFFKASA-N 0 0 434.973 6.759 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccccc2)C1=O ZINC000408765635 557188330 /nfs/dbraw/zinc/18/83/30/557188330.db2.gz MUKZUPOKLGSQJF-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408766803 557189023 /nfs/dbraw/zinc/18/90/23/557189023.db2.gz RZILLGQFMVXPKM-HKWRFOASSA-N 0 0 431.919 6.219 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)o1 ZINC000408767259 557189027 /nfs/dbraw/zinc/18/90/27/557189027.db2.gz FHDQUERNCARMTC-UHFFFAOYSA-N 0 0 427.503 5.184 40 10 IKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000009805178 557192730 /nfs/dbraw/zinc/19/27/30/557192730.db2.gz FLILAMIIHKBRPE-DFIYOIEZSA-N 0 0 434.536 5.761 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)S2)cc1 ZINC000408775368 557198033 /nfs/dbraw/zinc/19/80/33/557198033.db2.gz POVMNQZUEBBPCM-QBIYVPAOSA-N 0 0 430.533 5.970 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 ZINC000408779773 557201404 /nfs/dbraw/zinc/20/14/04/557201404.db2.gz KFGZPFNARMSCIE-LMSRTUJASA-N 0 0 431.605 5.873 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 ZINC000408777852 557202364 /nfs/dbraw/zinc/20/23/64/557202364.db2.gz KGRXGWHCUUKOTH-OFCKJYIJSA-N 0 0 431.605 5.873 40 10 IKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(C(=O)OC)=C1C ZINC000408783135 557206599 /nfs/dbraw/zinc/20/65/99/557206599.db2.gz LHVDYPGQVOZNSF-WJDWOHSUSA-N 0 0 433.335 5.093 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br ZINC000038187371 557207032 /nfs/dbraw/zinc/20/70/32/557207032.db2.gz LTRHGNDHUUFYPW-LDADJPATSA-N 0 0 433.305 5.324 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 ZINC000408785577 557208289 /nfs/dbraw/zinc/20/82/89/557208289.db2.gz HOVNACXJZWTZTJ-SJJVXOANSA-N 0 0 431.605 5.819 40 10 IKCBRN O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422909 557210840 /nfs/dbraw/zinc/21/08/40/557210840.db2.gz VFKYTCMJRQLLSS-SRZZPIQSSA-N 0 0 448.613 5.289 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408793491 557212972 /nfs/dbraw/zinc/21/29/72/557212972.db2.gz FNNWDLFGWFGQQK-ULJHMMPZSA-N 0 0 425.484 5.143 40 10 IKCBRN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl ZINC000218713788 557213236 /nfs/dbraw/zinc/21/32/36/557213236.db2.gz DZEORQJEVMHSHC-AHRSYUTCSA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl ZINC000218713630 557213281 /nfs/dbraw/zinc/21/32/81/557213281.db2.gz DZEORQJEVMHSHC-UXPWSPDFSA-N 0 0 429.004 5.838 40 10 IKCBRN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218979041 557221939 /nfs/dbraw/zinc/22/19/39/557221939.db2.gz MZRZLTGBYHJCPF-YADHBBJMSA-N 0 0 428.576 5.993 40 10 IKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408813299 557223627 /nfs/dbraw/zinc/22/36/27/557223627.db2.gz QOGQDUGIODVBNJ-SXGWCWSVSA-N 0 0 440.373 5.460 40 10 IKCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 ZINC000408814262 557227430 /nfs/dbraw/zinc/22/74/30/557227430.db2.gz OSUWKWXNBXPHDM-UHFFFAOYSA-N 0 0 436.532 5.313 40 10 IKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000040846778 557232165 /nfs/dbraw/zinc/23/21/65/557232165.db2.gz WCAVNEYXKIJMAV-ZHZULCJRSA-N 0 0 429.563 5.289 40 10 IKCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219338585 557238055 /nfs/dbraw/zinc/23/80/55/557238055.db2.gz JQOKOQILDZDYOK-YZIHRLCOSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219338379 557238066 /nfs/dbraw/zinc/23/80/66/557238066.db2.gz FJFNSMZFRYZMRJ-LVXARBLLSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219349027 557238328 /nfs/dbraw/zinc/23/83/28/557238328.db2.gz RRYOIKZGHJMDCU-JIPXPUAJSA-N 0 0 430.592 6.111 40 10 IKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000112289177 557238556 /nfs/dbraw/zinc/23/85/56/557238556.db2.gz WJZWWRNPGQQEMC-BWAHOGKJSA-N 0 0 429.495 6.507 40 10 IKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000112292122 557239131 /nfs/dbraw/zinc/23/91/31/557239131.db2.gz STZTZDJJRZIVGZ-QNGOZBTKSA-N 0 0 438.984 5.559 40 10 IKCBRN CC(Nc1ccc(Oc2ccccc2)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112296353 557239593 /nfs/dbraw/zinc/23/95/93/557239593.db2.gz NYICKCAPXGHTQT-MEFGMAGPSA-N 0 0 445.522 6.616 40 10 IKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219386424 557239658 /nfs/dbraw/zinc/23/96/58/557239658.db2.gz AUSJPTLROJFJQW-JPYJTQIMSA-N 0 0 431.045 6.324 40 10 IKCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000112296401 557239712 /nfs/dbraw/zinc/23/97/12/557239712.db2.gz UGTCVXMMGNGDMB-ULJHMMPZSA-N 0 0 445.494 5.370 40 10 IKCBRN Nc1ccc(N=Nc2ccc(N=Nc3ccc([N+](=O)[N-]c4ccc(N)cc4)cc3)cc2)cc1 ZINC000100368251 557259263 /nfs/dbraw/zinc/25/92/63/557259263.db2.gz VZUJZZLOFGSASY-YFGNAISGSA-N 0 0 436.479 7.608 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2OC)cc1 ZINC000408839777 557260604 /nfs/dbraw/zinc/26/06/04/557260604.db2.gz AGDJPOPTPAKCRJ-XIEYBQDHSA-N 0 0 434.495 5.692 40 10 IKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccc(Br)cc1Br ZINC000100458980 557261791 /nfs/dbraw/zinc/26/17/91/557261791.db2.gz XEMJYCFOXXWLDL-WCWDXBQESA-N 0 0 447.134 5.975 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Cl)cc1 ZINC000408840797 557261868 /nfs/dbraw/zinc/26/18/68/557261868.db2.gz GAOLIWKGCUAFCZ-XSFVSMFZSA-N 0 0 433.851 5.091 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000408840717 557261881 /nfs/dbraw/zinc/26/18/81/557261881.db2.gz DGLZULKVBPAMLG-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Br)cc2)N1c1ccccc1 ZINC000408840786 557261885 /nfs/dbraw/zinc/26/18/85/557261885.db2.gz FVTNHEUHOVMLKH-XMHGGMMESA-N 0 0 448.276 5.192 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000408840926 557262192 /nfs/dbraw/zinc/26/21/92/557262192.db2.gz GMPHQWZUVPTVOT-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408842475 557262523 /nfs/dbraw/zinc/26/25/23/557262523.db2.gz OARXFUSKFGGIHO-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccc(C)cc2)C1=O ZINC000408844087 557263485 /nfs/dbraw/zinc/26/34/85/557263485.db2.gz OMLYJJXXOQLNHD-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000408843111 557264724 /nfs/dbraw/zinc/26/47/24/557264724.db2.gz QIPODKFTMCIQFW-CPNJWEJPSA-N 0 0 448.276 5.192 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408845571 557266219 /nfs/dbraw/zinc/26/62/19/557266219.db2.gz QKCPJVOPRXBEFN-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)C2=CCC=C[C@H]2C3=O)cc1C ZINC000100643756 557267250 /nfs/dbraw/zinc/26/72/50/557267250.db2.gz BPFNGJOREWNVEV-PSWAGMNNSA-N 0 0 448.566 7.145 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408847251 557267928 /nfs/dbraw/zinc/26/79/28/557267928.db2.gz ULUFDPIRELEZBS-RCCKNPSSSA-N 0 0 442.971 7.006 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2cccc(C)c2)cc1 ZINC000408848595 557271711 /nfs/dbraw/zinc/27/17/11/557271711.db2.gz XINVSQWADGFSBV-CJLVFECKSA-N 0 0 427.460 5.136 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408849248 557272178 /nfs/dbraw/zinc/27/21/78/557272178.db2.gz ZGGOIBXKMGNNMT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000101693066 557295077 /nfs/dbraw/zinc/29/50/77/557295077.db2.gz JYWBBHQMIZZTQG-BSRJHKFKSA-N 0 0 427.375 6.446 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000113831250 557307264 /nfs/dbraw/zinc/30/72/64/557307264.db2.gz UFJIWMFIFCOVSF-LDADJPATSA-N 0 0 426.360 6.008 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000113831274 557307301 /nfs/dbraw/zinc/30/73/01/557307301.db2.gz HJDJJPFLQCKGAF-LDADJPATSA-N 0 0 426.360 6.008 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000113836913 557307633 /nfs/dbraw/zinc/30/76/33/557307633.db2.gz BSQXXOGSNHGUJH-WOJGMQOQSA-N 0 0 426.906 5.807 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1 ZINC000113837789 557307773 /nfs/dbraw/zinc/30/77/73/557307773.db2.gz PFUYXGNPBTXRMC-VIZOYTHASA-N 0 0 425.318 5.616 40 10 IKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl ZINC000113858915 557308317 /nfs/dbraw/zinc/30/83/17/557308317.db2.gz HWZCXODGVOMGIQ-RGEXLXHISA-N 0 0 434.879 5.583 40 10 IKCBRN O=C1c2cc(Cl)c(Cl)cc2C(=O)c2c(O)c3cc(Cl)c(Cl)cc3c(O)c21 ZINC000013304527 557308827 /nfs/dbraw/zinc/30/88/27/557308827.db2.gz PBKNTNXGMOCTKW-UHFFFAOYSA-N 0 0 428.054 5.640 40 10 IKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000013371275 557309149 /nfs/dbraw/zinc/30/91/49/557309149.db2.gz KXJVHPNFDIIWLU-HMAPJEAMSA-N 0 0 432.907 5.734 40 10 IKCBRN CCOc1cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000013371359 557309270 /nfs/dbraw/zinc/30/92/70/557309270.db2.gz LZUYKWCTOXMURF-JCMHNJIXSA-N 0 0 428.484 5.654 40 10 IKCBRN CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000033390940 557319200 /nfs/dbraw/zinc/31/92/00/557319200.db2.gz SIAXBDHSHKFNFW-DBZAVIBRSA-N 0 0 441.618 5.879 40 10 IKCBRN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000033391819 557319252 /nfs/dbraw/zinc/31/92/52/557319252.db2.gz BRYDTZLOWJWVDZ-DBZAVIBRSA-N 0 0 441.618 5.879 40 10 IKCBRN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000013476929 557322191 /nfs/dbraw/zinc/32/21/91/557322191.db2.gz KSBAYNRRDKLSCA-ZHZULCJRSA-N 0 0 448.276 5.192 40 10 IKCBRN NC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000104223355 557322465 /nfs/dbraw/zinc/32/24/65/557322465.db2.gz MSPODEORBPMUMC-OCOZRVBESA-N 0 0 428.477 5.632 40 10 IKCBRN CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=S)S)c1-c1ccccc1 ZINC000104230963 557322721 /nfs/dbraw/zinc/32/27/21/557322721.db2.gz AJHIZQHMDVPZGD-QPLCGJKRSA-N 0 0 444.585 7.094 40 10 IKCBRN COc1ccccc1/N=N\c1c(-c2cccs2)nn(C(=S)SC)c1C(F)(F)F ZINC000104235739 557323061 /nfs/dbraw/zinc/32/30/61/557323061.db2.gz ZSJKDLZNDQKFLJ-DQRAZIAOSA-N 0 0 442.513 6.550 40 10 IKCBRN Cc1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000104366417 557325739 /nfs/dbraw/zinc/32/57/39/557325739.db2.gz SMALRPZTMLNUDX-RQZHXJHFSA-N 0 0 426.432 6.430 40 10 IKCBRN CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000013509926 557331649 /nfs/dbraw/zinc/33/16/49/557331649.db2.gz YCUSXVAMOSOZGQ-UHFFFAOYSA-N 0 0 443.544 5.237 40 10 IKCBRN Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1 ZINC000033417796 557340306 /nfs/dbraw/zinc/34/03/06/557340306.db2.gz AQDMOZRTVPMKLH-JYHUHERQSA-N 0 0 441.560 5.273 40 10 IKCBRN Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1-c1ccccc1 ZINC000222563650 557352865 /nfs/dbraw/zinc/35/28/65/557352865.db2.gz ALGDYITXQBQTGB-UHFFFAOYSA-N 0 0 434.971 5.950 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc21 ZINC000222610524 557361510 /nfs/dbraw/zinc/36/15/10/557361510.db2.gz LZXJBZYRQQTJJP-FMLDBKJISA-N 0 0 438.600 6.232 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000222619934 557363183 /nfs/dbraw/zinc/36/31/83/557363183.db2.gz JLYLNPTXAPLXNM-IRBZQWRBSA-N 0 0 437.012 6.040 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222620387 557363248 /nfs/dbraw/zinc/36/32/48/557363248.db2.gz VBVDBWUUKPHVLF-XYURVEJXSA-N 0 0 430.621 5.949 40 10 IKCBRN C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222694843 557374909 /nfs/dbraw/zinc/37/49/09/557374909.db2.gz KCJUXTFAONKIJO-LJQANCHMSA-N 0 0 431.045 6.326 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 ZINC000222696198 557375111 /nfs/dbraw/zinc/37/51/11/557375111.db2.gz UDGOQJBMROSJDX-DCEDVJGZSA-N 0 0 430.621 6.031 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C ZINC000222695815 557375211 /nfs/dbraw/zinc/37/52/11/557375211.db2.gz LVNZTOWCSSOPBQ-NIJXNBFTSA-N 0 0 430.621 6.031 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000222699174 557375445 /nfs/dbraw/zinc/37/54/45/557375445.db2.gz JXKDGJOTPSZTDE-GKVQRAMASA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 ZINC000222697778 557375458 /nfs/dbraw/zinc/37/54/58/557375458.db2.gz WCLYWWIYNIMQKJ-OFAXGOBFSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 ZINC000222697415 557375495 /nfs/dbraw/zinc/37/54/95/557375495.db2.gz SKTZDCCDOILRJT-YFXJRYMSSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 ZINC000222697552 557375520 /nfs/dbraw/zinc/37/55/20/557375520.db2.gz SKTZDCCDOILRJT-SXSPYAJSSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 ZINC000222700310 557375804 /nfs/dbraw/zinc/37/58/04/557375804.db2.gz AMZQPMQIVMEBCH-PNTFMKQHSA-N 0 0 445.636 5.535 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 ZINC000222701434 557376091 /nfs/dbraw/zinc/37/60/91/557376091.db2.gz HKTCNSPIYPBMAI-KSNOWIBYSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 ZINC000222701772 557376142 /nfs/dbraw/zinc/37/61/42/557376142.db2.gz MPWKEGTUXPTTDJ-UOKFIYJESA-N 0 0 446.576 5.197 40 10 IKCBRN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cccc(I)c1)N2 ZINC000013633833 557383896 /nfs/dbraw/zinc/38/38/96/557383896.db2.gz MDCQSQMXDAJHKA-LJQANCHMSA-N 0 0 435.349 6.389 40 10 IKCBRN COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639425 557384605 /nfs/dbraw/zinc/38/46/05/557384605.db2.gz QXNZFKVUXOSUBA-DXIQSLLYSA-N 0 0 441.369 5.042 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000222783042 557386535 /nfs/dbraw/zinc/38/65/35/557386535.db2.gz VKMWVRBMOBFYFQ-NHCUHLMSSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000222782976 557386578 /nfs/dbraw/zinc/38/65/78/557386578.db2.gz VKMWVRBMOBFYFQ-LEWJYISDSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000222788820 557387053 /nfs/dbraw/zinc/38/70/53/557387053.db2.gz FFAQNJRLTQQQRZ-NHCUHLMSSA-N 0 0 445.419 5.788 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222835142 557391555 /nfs/dbraw/zinc/39/15/55/557391555.db2.gz JBJWVOCMAGRSQX-NOZRDPDXSA-N 0 0 432.637 5.795 40 10 IKCBRN COc1cccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033430171 557397306 /nfs/dbraw/zinc/39/73/06/557397306.db2.gz DSDMBCWLZJXWSK-UNOMPAQXSA-N 0 0 449.981 5.028 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222882686 557397724 /nfs/dbraw/zinc/39/77/24/557397724.db2.gz QFKJZBUFAPJUTG-UKILVPOCSA-N 0 0 432.637 5.742 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222919993 557402830 /nfs/dbraw/zinc/40/28/30/557402830.db2.gz WLAWGPRPRFPDFT-DHIUTWEWSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222920351 557402932 /nfs/dbraw/zinc/40/29/32/557402932.db2.gz JABHMNBXAWXYLW-XZOQPEGZSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C)c1C ZINC000222924212 557403437 /nfs/dbraw/zinc/40/34/37/557403437.db2.gz NVWJVFAIAPZSCL-RPBOFIJWSA-N 0 0 432.637 5.734 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222927534 557404159 /nfs/dbraw/zinc/40/41/59/557404159.db2.gz VAQBUQUPGMBHAO-AOYPEHQESA-N 0 0 446.664 5.988 40 10 IKCBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222937662 557405585 /nfs/dbraw/zinc/40/55/85/557405585.db2.gz PNZIDHDSCUSQIB-HFZDXXHNSA-N 0 0 436.640 6.255 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C ZINC000222963622 557408710 /nfs/dbraw/zinc/40/87/10/557408710.db2.gz GMEZPMAWOOFOPK-JWQCQUIFSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222967876 557409265 /nfs/dbraw/zinc/40/92/65/557409265.db2.gz AVSQYBMEYWGOKI-RPBOFIJWSA-N 0 0 447.652 5.328 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000222969709 557409520 /nfs/dbraw/zinc/40/95/20/557409520.db2.gz CEETWIJNBKDDCX-RPBOFIJWSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222972396 557410168 /nfs/dbraw/zinc/41/01/68/557410168.db2.gz RNCCSMHDFKUWEQ-AZGAKELHSA-N 0 0 446.664 6.133 40 10 IKCBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223031498 557418535 /nfs/dbraw/zinc/41/85/35/557418535.db2.gz JXUDNXRHARNZMH-YIGJPRQDSA-N 0 0 429.004 5.920 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 ZINC000223086927 557429117 /nfs/dbraw/zinc/42/91/17/557429117.db2.gz PSOWXIVHAQFIHS-RPWUZVMVSA-N 0 0 431.609 5.189 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 ZINC000223086992 557429128 /nfs/dbraw/zinc/42/91/28/557429128.db2.gz PSOWXIVHAQFIHS-BJKOFHAPSA-N 0 0 431.609 5.189 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 ZINC000223087046 557429237 /nfs/dbraw/zinc/42/92/37/557429237.db2.gz PSOWXIVHAQFIHS-ZEQRLZLVSA-N 0 0 431.609 5.189 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cc1 ZINC000223095040 557430579 /nfs/dbraw/zinc/43/05/79/557430579.db2.gz CAUREACGIPCJMG-CLJLJLNGSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 ZINC000223096426 557430863 /nfs/dbraw/zinc/43/08/63/557430863.db2.gz NYBUCAISQISJSH-RPBOFIJWSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000223096746 557431031 /nfs/dbraw/zinc/43/10/31/557431031.db2.gz FMOYTWQTKSZMLA-LOSJGSFVSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 ZINC000223096483 557431043 /nfs/dbraw/zinc/43/10/43/557431043.db2.gz NYBUCAISQISJSH-LOSJGSFVSA-N 0 0 448.611 5.933 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000103563312 557439260 /nfs/dbraw/zinc/43/92/60/557439260.db2.gz LMSARDMLOJSSTD-JFBLTNLISA-N 0 0 431.348 5.568 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406749 557443900 /nfs/dbraw/zinc/44/39/00/557443900.db2.gz YOQKATCQFGZAGT-JLPGSUDCSA-N 0 0 441.483 5.365 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414537 557445663 /nfs/dbraw/zinc/44/56/63/557445663.db2.gz LWSJMURVIYVCGP-ULJHMMPZSA-N 0 0 441.483 5.365 40 10 IKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414478 557445703 /nfs/dbraw/zinc/44/57/03/557445703.db2.gz CGFMVSQBYPWKJB-ZZMKYJANSA-N 0 0 439.511 5.913 40 10 IKCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000014414986 557445865 /nfs/dbraw/zinc/44/58/65/557445865.db2.gz FHNYHBQFDDLIQH-JXAWBTAJSA-N 0 0 430.331 5.299 40 10 IKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000014545892 557446451 /nfs/dbraw/zinc/44/64/51/557446451.db2.gz FEOYXSAQPCDFRE-DFIYOIEZSA-N 0 0 432.545 5.323 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458422 557446930 /nfs/dbraw/zinc/44/69/30/557446930.db2.gz OBCUTUIABROQMM-CLCZQPDDSA-N 0 0 444.600 6.239 40 10 IKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 ZINC000014469614 557446940 /nfs/dbraw/zinc/44/69/40/557446940.db2.gz SFFNQWUEKZMMFJ-DXBVXKBHSA-N 0 0 425.528 6.269 40 10 IKCBRN CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000208845667 557459824 /nfs/dbraw/zinc/45/98/24/557459824.db2.gz PBSNBAQSOZBUFV-LDADJPATSA-N 0 0 443.341 5.443 40 10 IKCBRN O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000169683725 557461029 /nfs/dbraw/zinc/46/10/29/557461029.db2.gz WKHHQLYYQNVCOK-MOXQZVSFSA-N 0 0 445.946 5.533 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000223381921 557465360 /nfs/dbraw/zinc/46/53/60/557465360.db2.gz MCASXGAVHNWGTP-UIOOFZCWSA-N 0 0 438.600 5.662 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(C)cc2C)cc1 ZINC000017096489 557476674 /nfs/dbraw/zinc/47/66/74/557476674.db2.gz VTQYXOWAOOVMAW-MOHJPFBDSA-N 0 0 429.495 5.588 40 10 IKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(Cl)cc3C)C2=O)cc1 ZINC000017097739 557479714 /nfs/dbraw/zinc/47/97/14/557479714.db2.gz AJGNXWQBNZFVPH-QJOMJCCJSA-N 0 0 431.923 5.794 40 10 IKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cccc4ccccc43)C2=O)cc1 ZINC000017098459 557481201 /nfs/dbraw/zinc/48/12/01/557481201.db2.gz OCQHOZNLRMHIRI-XHPQRKPJSA-N 0 0 433.511 5.985 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NC2CCCCCC2)cc1 ZINC000017098516 557481238 /nfs/dbraw/zinc/48/12/38/557481238.db2.gz ZAEOCAVVKMKCCR-MOHJPFBDSA-N 0 0 433.552 5.041 40 10 IKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223516286 557481340 /nfs/dbraw/zinc/48/13/40/557481340.db2.gz JXEISMKOFMDYAI-YODDIOPGSA-N 0 0 442.581 5.003 40 10 IKCBRN CCCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 ZINC000017099134 557482163 /nfs/dbraw/zinc/48/21/63/557482163.db2.gz WOBGXGNKUMWZGJ-PGMHBOJBSA-N 0 0 434.565 5.110 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223564572 557486835 /nfs/dbraw/zinc/48/68/35/557486835.db2.gz ZPCVYPNQWLJHMF-CPEHUTGBSA-N 0 0 436.646 6.593 40 10 IKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223566277 557487038 /nfs/dbraw/zinc/48/70/38/557487038.db2.gz WWBZHYVZQKTBNV-QHSFOXILSA-N 0 0 448.632 6.732 40 10 IKCBRN CC(Nc1cccc(OC(F)(F)F)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017101257 557490177 /nfs/dbraw/zinc/49/01/77/557490177.db2.gz JNKAGHNOWRNRNO-PGMHBOJBSA-N 0 0 437.421 5.722 40 10 IKCBRN CC(Nc1ccc(C)c(C)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017102617 557491262 /nfs/dbraw/zinc/49/12/62/557491262.db2.gz XPRMAJBREYWWDU-NKFKGCMQSA-N 0 0 438.556 6.050 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223614309 557491958 /nfs/dbraw/zinc/49/19/58/557491958.db2.gz HKJZHWXWEIXSJG-QHSFOXILSA-N 0 0 448.632 6.732 40 10 IKCBRN CC(NCCc1cccs1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000019641628 557503894 /nfs/dbraw/zinc/50/38/94/557503894.db2.gz IFXSXAPQMVOYHM-PGMHBOJBSA-N 0 0 444.585 5.215 40 10 IKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000019644113 557504425 /nfs/dbraw/zinc/50/44/25/557504425.db2.gz ZDGLUJBQWRZYLB-MOHJPFBDSA-N 0 0 445.950 5.206 40 10 IKCBRN CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000019645377 557504855 /nfs/dbraw/zinc/50/48/55/557504855.db2.gz OJLOBCPNPGXHJC-JWGURIENSA-N 0 0 446.894 5.694 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2cccc(Cl)c2C)cc1 ZINC000020289120 557519468 /nfs/dbraw/zinc/51/94/68/557519468.db2.gz SYJMZFXXWALBRG-KQWNVCNZSA-N 0 0 449.913 5.933 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1 ZINC000020244053 557519526 /nfs/dbraw/zinc/51/95/26/557519526.db2.gz NLLXHWQQTOHHFD-HZHRSRAPSA-N 0 0 446.934 6.124 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 ZINC000223878830 557524611 /nfs/dbraw/zinc/52/46/11/557524611.db2.gz WJLXYELDRCLEDC-ZEQRLZLVSA-N 0 0 426.545 5.063 40 10 IKCBRN COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000004062909 557530639 /nfs/dbraw/zinc/53/06/39/557530639.db2.gz VSNYNWKZXCVVPL-HWBMXIPRSA-N 0 0 430.935 6.427 40 10 IKCBRN COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000004062915 557530800 /nfs/dbraw/zinc/53/08/00/557530800.db2.gz VSNYNWKZXCVVPL-FBLLAGFSSA-N 0 0 430.935 6.427 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 ZINC000224157058 557567817 /nfs/dbraw/zinc/56/78/17/557567817.db2.gz DNLKMAIQSPYVTK-BJKOFHAPSA-N 0 0 425.561 5.061 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 ZINC000224157111 557567837 /nfs/dbraw/zinc/56/78/37/557567837.db2.gz DNLKMAIQSPYVTK-ZEQRLZLVSA-N 0 0 425.561 5.061 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 ZINC000224157022 557567862 /nfs/dbraw/zinc/56/78/62/557567862.db2.gz DNLKMAIQSPYVTK-RPWUZVMVSA-N 0 0 425.561 5.061 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000224164150 557569192 /nfs/dbraw/zinc/56/91/92/557569192.db2.gz PVXZIHITBWVNLF-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000224164093 557569219 /nfs/dbraw/zinc/56/92/19/557569219.db2.gz PVXZIHITBWVNLF-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000224165521 557569352 /nfs/dbraw/zinc/56/93/52/557569352.db2.gz PUOFMNFAXHAGBZ-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F ZINC000224165038 557569495 /nfs/dbraw/zinc/56/94/95/557569495.db2.gz SJZHGTWELDGQCC-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O ZINC000224167069 557569657 /nfs/dbraw/zinc/56/96/57/557569657.db2.gz VKPGTMZADCGZHG-JWQCQUIFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000224172950 557570251 /nfs/dbraw/zinc/57/02/51/557570251.db2.gz ZZWGGCOAFKCPJD-JWQCQUIFSA-N 0 0 439.588 5.370 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224187102 557572727 /nfs/dbraw/zinc/57/27/27/557572727.db2.gz JFQUKYAIPRMWFI-DQEYMECFSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000224195360 557573719 /nfs/dbraw/zinc/57/37/19/557573719.db2.gz AKYKFFWLFYQKDR-DQEYMECFSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000224195310 557573754 /nfs/dbraw/zinc/57/37/54/557573754.db2.gz AKYKFFWLFYQKDR-LOSJGSFVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000224201049 557574869 /nfs/dbraw/zinc/57/48/69/557574869.db2.gz VPUCDDTZNSKJPF-CLJLJLNGSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000224227601 557577869 /nfs/dbraw/zinc/57/78/69/557577869.db2.gz DQDLFASGBLWHCF-RPBOFIJWSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000224233433 557578896 /nfs/dbraw/zinc/57/88/96/557578896.db2.gz UXGVFKOEGQWFCM-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000224233380 557578934 /nfs/dbraw/zinc/57/89/34/557578934.db2.gz UXGVFKOEGQWFCM-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000224397709 557601633 /nfs/dbraw/zinc/60/16/33/557601633.db2.gz ULXOVFQSZBRNTE-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 ZINC000224424035 557604698 /nfs/dbraw/zinc/60/46/98/557604698.db2.gz XLSQKEKVKVCYIW-DNQXCXABSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 ZINC000224450089 557607402 /nfs/dbraw/zinc/60/74/02/557607402.db2.gz QWBALFXTCDIIPV-ZEQRLZLVSA-N 0 0 428.536 5.497 40 10 IKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000224586634 557627607 /nfs/dbraw/zinc/62/76/07/557627607.db2.gz RSHYSMRJGGIOFW-JWQCQUIFSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 ZINC000224601062 557629682 /nfs/dbraw/zinc/62/96/82/557629682.db2.gz HFQWUCWEHRNJRY-DQEYMECFSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 ZINC000224621809 557631993 /nfs/dbraw/zinc/63/19/93/557631993.db2.gz YCXMRMOPGVBIKO-DNQXCXABSA-N 0 0 426.545 5.063 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 ZINC000224621941 557632010 /nfs/dbraw/zinc/63/20/10/557632010.db2.gz YCXMRMOPGVBIKO-ZEQRLZLVSA-N 0 0 426.545 5.063 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1-c1ccccc1 ZINC000224915244 557666558 /nfs/dbraw/zinc/66/65/58/557666558.db2.gz HVRBFAVCMXZNOH-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1-c1ccccc1 ZINC000224915134 557666565 /nfs/dbraw/zinc/66/65/65/557666565.db2.gz HVRBFAVCMXZNOH-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1-c1ccccc1 ZINC000224915171 557666616 /nfs/dbraw/zinc/66/66/16/557666616.db2.gz HVRBFAVCMXZNOH-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1-c1ccccc1 ZINC000224915210 557666636 /nfs/dbraw/zinc/66/66/36/557666636.db2.gz HVRBFAVCMXZNOH-LOSJGSFVSA-N 0 0 442.563 5.805 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 ZINC000225014836 557677882 /nfs/dbraw/zinc/67/78/82/557677882.db2.gz QTRLXUZRUQQMKM-IZZNHLLZSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 ZINC000225015098 557678041 /nfs/dbraw/zinc/67/80/41/557678041.db2.gz VVTYFBBXHOEWSI-DNQXCXABSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F ZINC000225015001 557678096 /nfs/dbraw/zinc/67/80/96/557678096.db2.gz JZYUENJIAFUBIK-BJKOFHAPSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O ZINC000225016555 557678315 /nfs/dbraw/zinc/67/83/15/557678315.db2.gz VIDHFZHLDJDYNA-RPWUZVMVSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccc1C ZINC000225018535 557678654 /nfs/dbraw/zinc/67/86/54/557678654.db2.gz SWLLFWJCRCULBX-CLJLJLNGSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccc1C ZINC000225018664 557678705 /nfs/dbraw/zinc/67/87/05/557678705.db2.gz SWLLFWJCRCULBX-UIOOFZCWSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccn1 ZINC000225020849 557678707 /nfs/dbraw/zinc/67/87/07/557678707.db2.gz HACFNBAKMAHAKG-BJKOFHAPSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1c(C)cccc1C ZINC000225018845 557678711 /nfs/dbraw/zinc/67/87/11/557678711.db2.gz ZUVCXLDQFSUBPY-AHWVRZQESA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ncccc1C ZINC000225021022 557678857 /nfs/dbraw/zinc/67/88/57/557678857.db2.gz CGNMWBTYJQLEOP-XZOQPEGZSA-N 0 0 431.609 5.108 40 10 IKCBRN S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000225417163 557720583 /nfs/dbraw/zinc/72/05/83/557720583.db2.gz GPKOHOYDYMGGIR-UHFFFAOYSA-N 0 0 438.822 5.579 40 10 IKCBRN S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225420326 557721197 /nfs/dbraw/zinc/72/11/97/557721197.db2.gz WRAGCLVVTYPSMF-UHFFFAOYSA-N 0 0 449.645 5.302 40 10 IKCBRN Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br ZINC000225655096 557757431 /nfs/dbraw/zinc/75/74/31/557757431.db2.gz RDWHREUGWUSCLJ-QGZVFWFLSA-N 0 0 446.458 6.041 40 10 IKCBRN C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654160 557757453 /nfs/dbraw/zinc/75/74/53/557757453.db2.gz AXSNBYYFFZHSAF-INIZCTEOSA-N 0 0 432.431 5.733 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656166 557757683 /nfs/dbraw/zinc/75/76/83/557757683.db2.gz YNWAPMCMAAEFKM-GOSISDBHSA-N 0 0 425.598 5.147 40 10 IKCBRN C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225657122 557757812 /nfs/dbraw/zinc/75/78/12/557757812.db2.gz CQCGFWUMRPSDEA-IBGZPJMESA-N 0 0 436.625 5.097 40 10 IKCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c2cccnc12 ZINC000225657837 557757828 /nfs/dbraw/zinc/75/78/28/557757828.db2.gz FAHTWXYEUJQQBD-GOSISDBHSA-N 0 0 434.609 5.527 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000225665319 557759409 /nfs/dbraw/zinc/75/94/09/557759409.db2.gz QEYVFHKNVDAKPJ-GOSISDBHSA-N 0 0 425.598 5.210 40 10 IKCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665369 557759543 /nfs/dbraw/zinc/75/95/43/557759543.db2.gz AKBLMZTZQKZDQP-SFHVURJKSA-N 0 0 425.598 5.210 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000225669891 557760398 /nfs/dbraw/zinc/76/03/98/557760398.db2.gz MBZSJKNJVSWNHE-CVEARBPZSA-N 0 0 446.016 5.411 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225670295 557760551 /nfs/dbraw/zinc/76/05/51/557760551.db2.gz KMBHHZQCCIUJQN-IEBWSBKVSA-N 0 0 439.625 5.456 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225670263 557760571 /nfs/dbraw/zinc/76/05/71/557760571.db2.gz KMBHHZQCCIUJQN-MJGOQNOKSA-N 0 0 439.625 5.456 40 10 IKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)C1 ZINC000225691319 557764386 /nfs/dbraw/zinc/76/43/86/557764386.db2.gz AULMIIAJXMNESE-AWEZNQCLSA-N 0 0 436.394 5.311 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCC2)cc1 ZINC000225695387 557765349 /nfs/dbraw/zinc/76/53/49/557765349.db2.gz MBHPDJGRMHHWFY-CYBMUJFWSA-N 0 0 438.822 5.750 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000225838386 557783553 /nfs/dbraw/zinc/78/35/53/557783553.db2.gz SMDCXTSOYWUOBD-ZDUSSCGKSA-N 0 0 443.922 5.243 40 10 IKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 ZINC000225956986 557796845 /nfs/dbraw/zinc/79/68/45/557796845.db2.gz TUWVNQRFVDIYOZ-UHFFFAOYSA-N 0 0 439.972 5.009 40 10 IKCBRN Cc1cc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C(C)C)c(C)n1-c1ccccc1 ZINC000225982498 557798906 /nfs/dbraw/zinc/79/89/06/557798906.db2.gz WETRMOOYJNOEMM-UHFFFAOYSA-N 0 0 437.996 6.408 40 10 IKCBRN CCOC(=O)c1ccc(N[C@@H](c2ccc(OC)cc2)c2ccc3cccnc3c2O)cc1 ZINC000033375260 557807429 /nfs/dbraw/zinc/80/74/29/557807429.db2.gz DHPFVSVTSIBTCB-QHCPKHFHSA-N 0 0 428.488 5.327 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc(F)c1 ZINC000033498832 557808958 /nfs/dbraw/zinc/80/89/58/557808958.db2.gz MNVVCKVENNWGFR-CIAFOILYSA-N 0 0 439.508 5.950 40 10 IKCBRN CC(C)(C)c1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000033809103 557809989 /nfs/dbraw/zinc/80/99/89/557809989.db2.gz MRJOQSLSXGNMOA-XSFVSMFZSA-N 0 0 439.646 6.389 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1OC ZINC000034139218 557811013 /nfs/dbraw/zinc/81/10/13/557811013.db2.gz FYCMGHTWLSVGBX-KGENOOAVSA-N 0 0 432.907 5.500 40 10 IKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 ZINC000058848889 557811836 /nfs/dbraw/zinc/81/18/36/557811836.db2.gz UPTNECACPYUIRH-LZCXECNNSA-N 0 0 446.572 5.631 40 10 IKCBRN O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058847075 557811853 /nfs/dbraw/zinc/81/18/53/557811853.db2.gz BNAOONVDVXTODX-YZUZCNPQSA-N 0 0 438.499 5.592 40 10 IKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@@H]2C=CC[C@@H]21 ZINC000058850915 557811933 /nfs/dbraw/zinc/81/19/33/557811933.db2.gz PCRNUJCWBVINND-METZIYRZSA-N 0 0 433.998 7.773 40 10 IKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1cccc2ccccc21 ZINC000058866046 557812263 /nfs/dbraw/zinc/81/22/63/557812263.db2.gz KUAUHPDNDOLISS-UHFFFAOYSA-N 0 0 444.483 5.181 40 10 IKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000058866246 557812357 /nfs/dbraw/zinc/81/23/57/557812357.db2.gz RSCGNUSYXORQJS-UHFFFAOYSA-N 0 0 432.447 5.312 40 10 IKCBRN O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000058822013 557812606 /nfs/dbraw/zinc/81/26/06/557812606.db2.gz ODWADHAPKQPDAG-HZHRSRAPSA-N 0 0 426.566 6.095 40 10 IKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000058845624 557812813 /nfs/dbraw/zinc/81/28/13/557812813.db2.gz DRJHPQXMCPYWRO-GLDPYIMESA-N 0 0 447.516 5.222 40 10 IKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058845678 557812841 /nfs/dbraw/zinc/81/28/41/557812841.db2.gz QSMREFDBNRYOGA-BPYKYCOYSA-N 0 0 434.536 5.761 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845787 557813022 /nfs/dbraw/zinc/81/30/22/557813022.db2.gz XRYRTHXOJHSDGG-PPJWLVRDSA-N 0 0 430.573 5.931 40 10 IKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845845 557813050 /nfs/dbraw/zinc/81/30/50/557813050.db2.gz GPMBHCNIJZMQDH-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 ZINC000058845793 557813059 /nfs/dbraw/zinc/81/30/59/557813059.db2.gz YGWGMDYAKJOVTM-PPJWLVRDSA-N 0 0 430.573 5.931 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000058845902 557813073 /nfs/dbraw/zinc/81/30/73/557813073.db2.gz DPKOWYYUNDSHKZ-PPJWLVRDSA-N 0 0 430.573 5.931 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000059138743 557816326 /nfs/dbraw/zinc/81/63/26/557816326.db2.gz AZVNEHCTYAQTMA-LFVJCYFKSA-N 0 0 441.531 5.226 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000059138761 557816354 /nfs/dbraw/zinc/81/63/54/557816354.db2.gz VLYPXLCTVKEDNK-JJIBRWJFSA-N 0 0 449.510 5.256 40 10 IKCBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138864 557816502 /nfs/dbraw/zinc/81/65/02/557816502.db2.gz MLYIFAORKRHJKL-ATVHPVEESA-N 0 0 441.270 5.262 40 10 IKCBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138863 557816516 /nfs/dbraw/zinc/81/65/16/557816516.db2.gz LNSSLNGWWIQFRM-VBKFSLOCSA-N 0 0 441.270 5.262 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(C)c1 ZINC000059459827 557821311 /nfs/dbraw/zinc/82/13/11/557821311.db2.gz PAXWWFNQDYZWII-NDENLUEZSA-N 0 0 436.514 5.877 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000059459842 557821356 /nfs/dbraw/zinc/82/13/56/557821356.db2.gz IBZWNCJTWHOFDC-AUWJEWJLSA-N 0 0 444.843 5.673 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000059471540 557821918 /nfs/dbraw/zinc/82/19/18/557821918.db2.gz OYWKBWRGWKNACN-KGENOOAVSA-N 0 0 447.328 6.318 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000059418260 557823445 /nfs/dbraw/zinc/82/34/45/557823445.db2.gz HBJZLGFSHBIOAY-XDHOZWIPSA-N 0 0 433.982 5.539 40 10 IKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000059565723 557824013 /nfs/dbraw/zinc/82/40/13/557824013.db2.gz MSGXQIQAJFWBEJ-UHFFFAOYSA-N 0 0 442.540 5.224 40 10 IKCBRN Cc1ccccc1N1C(=O)C(=Cc2ccc(C(C)C)cc2)C(=O)N(c2ccccc2C)C1=O ZINC000059484129 557825049 /nfs/dbraw/zinc/82/50/49/557825049.db2.gz TWMPOBBMESSHAQ-UHFFFAOYSA-N 0 0 438.527 6.010 40 10 IKCBRN Cc1ccc(N2C(=O)C(=Cc3ccccc3C)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000059484913 557825425 /nfs/dbraw/zinc/82/54/25/557825425.db2.gz BLMLHGLGVOEZJD-UHFFFAOYSA-N 0 0 426.541 5.360 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000059484892 557825460 /nfs/dbraw/zinc/82/54/60/557825460.db2.gz KPVFWOPZQAQNPR-HAVVHWLPSA-N 0 0 448.478 5.437 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484778 557825475 /nfs/dbraw/zinc/82/54/75/557825475.db2.gz WEVLZGNLGADQCO-HAVVHWLPSA-N 0 0 448.478 5.437 40 10 IKCBRN O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccccc1Cl ZINC000001298789 568778620 /nfs/dbraw/zinc/77/86/20/568778620.db2.gz ORVNQHJGCPFNJT-ZSOIEALJSA-N 0 0 443.764 5.193 40 10 IKCBRN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001781778 568907102 /nfs/dbraw/zinc/90/71/02/568907102.db2.gz BABCAXGVIZZQHY-UHFFFAOYSA-N 0 0 430.460 5.267 40 10 IKCBRN COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226797247 569182899 /nfs/dbraw/zinc/18/28/99/569182899.db2.gz QXNZFKVUXOSUBA-XQBPLPMBSA-N 0 0 441.369 5.042 40 10 IKCBRN Clc1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000230389490 569185512 /nfs/dbraw/zinc/18/55/12/569185512.db2.gz RPFZUFVCTNLFBZ-VGTOOOLASA-N 0 0 442.127 6.425 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000011612238 569188493 /nfs/dbraw/zinc/18/84/93/569188493.db2.gz QQBGLXGBZGPDFK-ZXPGUXPCSA-N 0 0 444.581 5.626 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(F)c2)C1=O ZINC000011612237 569188504 /nfs/dbraw/zinc/18/85/04/569188504.db2.gz SFIMKRZIBOMPQS-SDEVTQOVSA-N 0 0 440.565 5.392 40 10 IKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)N2 ZINC000036081679 569248599 /nfs/dbraw/zinc/24/85/99/569248599.db2.gz GDBWYCRGJXUSHB-QQNWGBJXSA-N 0 0 439.555 6.577 40 10 IKCBRN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000144199654 569255011 /nfs/dbraw/zinc/25/50/11/569255011.db2.gz YFDRZHCYYNPAFX-HMAPJEAMSA-N 0 0 432.501 5.260 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000144218595 569255060 /nfs/dbraw/zinc/25/50/60/569255060.db2.gz ZGKFQUNGTMCIKE-BKUYFWCQSA-N 0 0 433.489 5.552 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000144226103 569255068 /nfs/dbraw/zinc/25/50/68/569255068.db2.gz SBPHYRCOMJHERC-ULJHMMPZSA-N 0 0 445.588 6.181 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 ZINC000020058212 569259196 /nfs/dbraw/zinc/25/91/96/569259196.db2.gz JEBCZXMFVXGEIS-IQUTYRLHSA-N 0 0 431.286 5.201 40 10 IKCBRN N#CCn1cc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 ZINC000033478327 569259295 /nfs/dbraw/zinc/25/92/95/569259295.db2.gz RVLVSDSTXQVAMY-WQRHYEAKSA-N 0 0 437.322 5.010 40 10 IKCBRN CC[C@@H](C)Oc1c(Cl)cc(C=C2SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1OC 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PUSATYMTTFIDKA-QJOMJCCJSA-N 0 0 425.484 5.282 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1F ZINC000040006125 569260350 /nfs/dbraw/zinc/26/03/50/569260350.db2.gz OYILVXFHAUVAFT-JAIQZWGSSA-N 0 0 431.554 5.271 40 10 IKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C1CCCCC1 ZINC000040006319 569260352 /nfs/dbraw/zinc/26/03/52/569260352.db2.gz XCWMQVQEWKWRRF-STZFKDTASA-N 0 0 444.021 6.453 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000040006126 569260393 /nfs/dbraw/zinc/26/03/93/569260393.db2.gz GZTUVPVPSXPMPA-JAIQZWGSSA-N 0 0 431.554 5.271 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000038204891 569260395 /nfs/dbraw/zinc/26/03/95/569260395.db2.gz LXOFOWJDYVPFPM-AQTBWJFISA-N 0 0 438.310 6.024 40 10 IKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000040006340 569260400 /nfs/dbraw/zinc/26/04/00/569260400.db2.gz VZVLIVDVAVVAOJ-CNJGYECJSA-N 0 0 445.993 5.299 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000040006124 569260427 /nfs/dbraw/zinc/26/04/27/569260427.db2.gz ZTXXDORGIMAWNC-JAIQZWGSSA-N 0 0 448.009 5.785 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 ZINC000096505101 569260576 /nfs/dbraw/zinc/26/05/76/569260576.db2.gz NSWYOYWICFYPDB-XQNSMLJCSA-N 0 0 447.581 6.070 40 10 IKCBRN CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Cl)c1OCC ZINC000107822239 569260634 /nfs/dbraw/zinc/26/06/34/569260634.db2.gz BGCUCHGQNKPXBY-BOPFTXTBSA-N 0 0 437.348 5.873 40 10 IKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3SC(Nc4ccccc4)=NC3=O)c2)cc1 ZINC000107989152 569260653 /nfs/dbraw/zinc/26/06/53/569260653.db2.gz OSBHYWOCUUPJQE-JCMHNJIXSA-N 0 0 443.528 5.095 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)S2)c(C)c1 ZINC000107956279 569260697 /nfs/dbraw/zinc/26/06/97/569260697.db2.gz HDNVLBNQEXJNAK-YBFXNURJSA-N 0 0 443.355 6.953 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000108276444 569260902 /nfs/dbraw/zinc/26/09/02/569260902.db2.gz BMUXBCQVKGKLBI-UNOMPAQXSA-N 0 0 438.310 6.024 40 10 IKCBRN CCN(CC)c1ccc(C=C2SC(Nc3cc(C)c(Br)c(C)c3)=NC2=O)o1 ZINC000204985610 569261054 /nfs/dbraw/zinc/26/10/54/569261054.db2.gz ZRPJKQBGLORILL-WJDWOHSUSA-N 0 0 448.386 5.588 40 10 IKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 ZINC000206838319 569261158 /nfs/dbraw/zinc/26/11/58/569261158.db2.gz SXRQNIVNEPJNHO-XQNSMLJCSA-N 0 0 446.597 5.737 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2[C@H](C)CC1(C)C ZINC000208309622 569261219 /nfs/dbraw/zinc/26/12/19/569261219.db2.gz DQTQSNCRNAPVGS-NLKUQUHMSA-N 0 0 433.621 6.498 40 10 IKCBRN CCN1c2ccc(C=C3SC(Nc4ccc(Cl)cc4)=NC3=O)cc2[C@H](C)CC1(C)C ZINC000208309874 569261243 /nfs/dbraw/zinc/26/12/43/569261243.db2.gz GVISHEKGRIFZJE-PJMHOZITSA-N 0 0 440.012 6.535 40 10 IKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000208688837 569261343 /nfs/dbraw/zinc/26/13/43/569261343.db2.gz NRKWYCSDBVIIDR-UQQQWYQISA-N 0 0 436.536 6.501 40 10 IKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000208666599 569261394 /nfs/dbraw/zinc/26/13/94/569261394.db2.gz SXVFKHYHPMWHJY-UCQKPKSFSA-N 0 0 443.959 6.425 40 10 IKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000208685287 569261398 /nfs/dbraw/zinc/26/13/98/569261398.db2.gz DYZXXIOONUSZAM-UQQQWYQISA-N 0 0 436.536 6.501 40 10 IKCBRN CCCCOC(=O)c1ccc(-c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)o2)cc1 ZINC000208689159 569261412 /nfs/dbraw/zinc/26/14/12/569261412.db2.gz QAUOCDZDDQADRK-JWGURIENSA-N 0 0 446.528 5.986 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(C)c1 ZINC000208704590 569261418 /nfs/dbraw/zinc/26/14/18/569261418.db2.gz UBURINNNYPIQQH-NDENLUEZSA-N 0 0 436.514 5.877 40 10 IKCBRN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000256765642 569275485 /nfs/dbraw/zinc/27/54/85/569275485.db2.gz MVVPIAAVGAWJNQ-BHVWNTRMSA-N 0 0 439.640 6.902 40 10 IKCBRN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466223 569281192 /nfs/dbraw/zinc/28/11/92/569281192.db2.gz INIWEZKKWNDJGP-IRXDYDNUSA-N 0 0 435.008 5.826 40 10 IKCBRN C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466219 569281196 /nfs/dbraw/zinc/28/11/96/569281196.db2.gz INIWEZKKWNDJGP-DLBZAZTESA-N 0 0 435.008 5.826 40 10 IKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O ZINC000260567768 569281258 /nfs/dbraw/zinc/28/12/58/569281258.db2.gz MQSRNNNFRVLDIR-MBTVCVBTSA-N 0 0 444.597 5.095 40 10 IKCBRN CC(C)N1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260573757 569281314 /nfs/dbraw/zinc/28/13/14/569281314.db2.gz ZPCVYPNQWLJHMF-VVRYKASASA-N 0 0 436.646 6.593 40 10 IKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O ZINC000260572373 569281329 /nfs/dbraw/zinc/28/13/29/569281329.db2.gz UZDNCHARNPYWDT-WKVLGULQSA-N 0 0 444.597 5.093 40 10 IKCBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260619567 569281399 /nfs/dbraw/zinc/28/13/99/569281399.db2.gz NVMZVYUVPLPGQB-YPCDYVTLSA-N 0 0 436.640 6.255 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000260753204 569281470 /nfs/dbraw/zinc/28/14/70/569281470.db2.gz BQPFSGQKXIVOGC-HFRGRHLUSA-N 0 0 430.621 6.004 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1c(C)cc(C)cc1C ZINC000260753214 569281474 /nfs/dbraw/zinc/28/14/74/569281474.db2.gz BQPFSGQKXIVOGC-RZPHLTDDSA-N 0 0 430.621 6.004 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260740093 569281505 /nfs/dbraw/zinc/28/15/05/569281505.db2.gz SJOAJADKYSFKBL-JKSUJKDBSA-N 0 0 446.016 5.411 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260775040 569281574 /nfs/dbraw/zinc/28/15/74/569281574.db2.gz OVKVSWIAFFBOTG-FGZHOGPDSA-N 0 0 441.044 5.749 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000260766269 569281608 /nfs/dbraw/zinc/28/16/08/569281608.db2.gz JLYLNPTXAPLXNM-ZGNKEGEESA-N 0 0 437.012 6.040 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 ZINC000260778172 569281612 /nfs/dbraw/zinc/28/16/12/569281612.db2.gz RIMUFWNIKJTAIM-HVETUWLQSA-N 0 0 427.017 5.623 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 ZINC000260772261 569281622 /nfs/dbraw/zinc/28/16/22/569281622.db2.gz NFAFOEULHVJDBZ-ZPZUNKDASA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 ZINC000260762801 569281626 /nfs/dbraw/zinc/28/16/26/569281626.db2.gz HKTCNSPIYPBMAI-ZPZUNKDASA-N 0 0 430.621 6.085 40 10 IKCBRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc2c1 ZINC000260798393 569281698 /nfs/dbraw/zinc/28/16/98/569281698.db2.gz SOEOTUPBGICJPN-OALUTQOASA-N 0 0 438.593 5.124 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000260788307 569281718 /nfs/dbraw/zinc/28/17/18/569281718.db2.gz YOXWRAWYOHEFBP-UOKFIYJESA-N 0 0 431.609 5.144 40 10 IKCBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260839074 569281823 /nfs/dbraw/zinc/28/18/23/569281823.db2.gz HMCIACNNQLQZDF-ISCCLHIJSA-N 0 0 434.624 5.837 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 ZINC000260918028 569281976 /nfs/dbraw/zinc/28/19/76/569281976.db2.gz KTCVTZFCZUEMGM-DQEYMECFSA-N 0 0 440.616 5.890 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 ZINC000260917921 569282035 /nfs/dbraw/zinc/28/20/35/569282035.db2.gz JWLZFVIWOXUKMZ-ZEQRLZLVSA-N 0 0 432.637 5.628 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 ZINC000260924121 569282099 /nfs/dbraw/zinc/28/20/99/569282099.db2.gz RRXCWULYLXFHOG-LOSJGSFVSA-N 0 0 446.664 6.019 40 10 IKCBRN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000018059885 569284586 /nfs/dbraw/zinc/28/45/86/569284586.db2.gz NUXIULFPJVAFPI-IFCLKOLQSA-N 0 0 447.376 5.854 40 10 IKCBRN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000008836406 569291209 /nfs/dbraw/zinc/29/12/09/569291209.db2.gz QMJYALQHUQUUHD-DFIYOIEZSA-N 0 0 425.484 5.519 40 10 IKCBRN O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1 ZINC000008894554 569292018 /nfs/dbraw/zinc/29/20/18/569292018.db2.gz DWOHPJKGRLQQHJ-PDGQHHTCSA-N 0 0 431.904 5.490 40 10 IKCBRN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009076607 569293547 /nfs/dbraw/zinc/29/35/47/569293547.db2.gz DDCRWQPCZQRMBM-RLSLOFABSA-N 0 0 443.474 5.658 40 10 IKCBRN O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1Cc1ccco1 ZINC000027905056 569310887 /nfs/dbraw/zinc/31/08/87/569310887.db2.gz RHBSDKBPKDCYBQ-QNGOZBTKSA-N 0 0 437.542 5.139 40 10 IKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)cc(Br)c1OC(F)F ZINC000070453957 569312725 /nfs/dbraw/zinc/31/27/25/569312725.db2.gz RJHFWXQALQYISE-UHFFFAOYSA-N 0 0 435.268 6.139 40 10 IKCBRN CCSc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c43)N2)cc1 ZINC000070453964 569312739 /nfs/dbraw/zinc/31/27/39/569312739.db2.gz WAMVRLSBLRSWPW-UHFFFAOYSA-N 0 0 448.595 7.341 40 10 IKCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(-c5ccccc5Cl)o4)C3=N)S2)c1 ZINC000002810746 569422959 /nfs/dbraw/zinc/42/29/59/569422959.db2.gz XAKSISKGPUAKEI-NWSLSDTJSA-N 0 0 446.919 5.576 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2C)SC1=S ZINC000002878628 569423931 /nfs/dbraw/zinc/42/39/31/569423931.db2.gz IJBJHAUYWOBTRH-QNGOZBTKSA-N 0 0 427.591 5.372 40 10 IKCBRN CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C)cc3C)c2)SC1=S ZINC000002874085 569423977 /nfs/dbraw/zinc/42/39/77/569423977.db2.gz VBYSUUIVBIBLDK-QNGOZBTKSA-N 0 0 427.591 5.372 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1 ZINC000003066827 569439695 /nfs/dbraw/zinc/43/96/95/569439695.db2.gz BHYZSHUHKBMMPL-ODLFYWEKSA-N 0 0 446.380 6.968 40 10 IKCBRN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Cl)cc1Cl ZINC000003624061 569455172 /nfs/dbraw/zinc/45/51/72/569455172.db2.gz FHMOOGJAFONTAA-VIZOYTHASA-N 0 0 426.346 5.070 40 10 IKCBRN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000008984811 569494781 /nfs/dbraw/zinc/49/47/81/569494781.db2.gz RKXSKSNOVJJCRZ-VAXYQBTPSA-N 0 0 449.555 5.433 40 10 IKCBRN N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076360 569526382 /nfs/dbraw/zinc/52/63/82/569526382.db2.gz DOBSIBJHIHOUON-DHKQOHTGSA-N 0 0 437.956 5.330 40 10 IKCBRN CCc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000041076354 569526398 /nfs/dbraw/zinc/52/63/98/569526398.db2.gz MTRIEIVBGWNYDP-COGBYSKYSA-N 0 0 431.565 5.239 40 10 IKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000009425700 569533262 /nfs/dbraw/zinc/53/32/62/569533262.db2.gz ISSZURQCKOBWIM-HTYYESGYSA-N 0 0 447.347 6.063 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C ZINC000223343210 193968907 /nfs/dbraw/zinc/96/89/07/193968907.db2.gz PMYIYZBHALOIHH-LOSJGSFVSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 ZINC000223344997 193969372 /nfs/dbraw/zinc/96/93/72/193969372.db2.gz MYJZDWBTZCMVDD-BJKOFHAPSA-N 0 0 446.551 5.394 40 10 IKCBRN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000008425521 132281649 /nfs/dbraw/zinc/28/16/49/132281649.db2.gz XMOGORDPIWNJPL-NEMUNFNQSA-N 0 0 446.388 6.546 40 10 IKCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000041083254 519558374 /nfs/dbraw/zinc/55/83/74/519558374.db2.gz ISCZHCGSLHUAJM-NIHHYISTSA-N 0 0 433.320 5.529 40 10 IKCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3Cl)C2=N)S1 ZINC000041083222 519558976 /nfs/dbraw/zinc/55/89/76/519558976.db2.gz SFUVQEZVQDMXPF-LVQJIDBXSA-N 0 0 432.336 5.059 40 10 IKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C2=N)S1 ZINC000041083381 519894504 /nfs/dbraw/zinc/89/45/04/519894504.db2.gz KJNSWURSVOVVOB-UTQUROFUSA-N 0 0 439.972 5.475 40 10 IKCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C2=N)S1 ZINC000041082814 519917257 /nfs/dbraw/zinc/91/72/57/519917257.db2.gz DMTQGKDHFLAIJB-VHGNOBFKSA-N 0 0 445.470 5.305 40 10 IKCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C2=N)S1 ZINC000041082810 519917473 /nfs/dbraw/zinc/91/74/73/519917473.db2.gz XIOFGPVQNSZINT-GJXXPDGXSA-N 0 0 425.945 5.248 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(SC4CCCCC4)o3)C2=N)S1 ZINC000041083109 519946567 /nfs/dbraw/zinc/94/65/67/519946567.db2.gz CQRUXAMKDFQHDV-ZXPXUXNTSA-N 0 0 430.599 5.904 40 10 IKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1cccs1 ZINC000033457260 520628948 /nfs/dbraw/zinc/62/89/48/520628948.db2.gz OTGWKWLVMHNKNV-RGEXLXHISA-N 0 0 432.501 5.172 40 10 IKCBRN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C ZINC000035059631 521444029 /nfs/dbraw/zinc/44/40/29/521444029.db2.gz XZRBUYBVCOKFQU-OQYABBNDSA-N 0 0 449.580 5.158 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OC[C@@H](C)COc3ccccc3)c(OC)c2)SC1=S ZINC000041108585 521511032 /nfs/dbraw/zinc/51/10/32/521511032.db2.gz GVUUQODMMWLYRX-JHDSZEHQSA-N 0 0 443.590 5.010 40 10 IKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000012285161 521959133 /nfs/dbraw/zinc/95/91/33/521959133.db2.gz LRYZFMWPIDLTPZ-BKUYFWCQSA-N 0 0 432.907 5.734 40 10 IKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000033706622 521976208 /nfs/dbraw/zinc/97/62/08/521976208.db2.gz XRMPCAUYRTVBNJ-NVMNQCDNSA-N 0 0 437.945 5.681 40 10 IKCBRN CCc1ccc(NN=C(Sc2nnc(-c3cccnc3)o2)C(=O)c2ccccc2)cc1 ZINC000022079425 523877243 /nfs/dbraw/zinc/87/72/43/523877243.db2.gz KMFLDWDDNRUCET-UNGCUCNDSA-N 0 0 429.505 6.454 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000033765890 526082901 /nfs/dbraw/zinc/08/29/01/526082901.db2.gz GWHRWETWGPTHDA-JKJUGIAJSA-N 0 0 433.581 5.376 40 10 IKCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000011859523 526728878 /nfs/dbraw/zinc/72/88/78/526728878.db2.gz WVDIMIVWIGYONS-GLDPYIMESA-N 0 0 441.402 6.836 40 10 IKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000035646305 527044824 /nfs/dbraw/zinc/04/48/24/527044824.db2.gz UPQKROPZXASXBH-ZDLGFXPLSA-N 0 0 431.300 6.041 40 10 IKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(Cl)c1Cl ZINC000012496949 527080415 /nfs/dbraw/zinc/08/04/15/527080415.db2.gz HMJOTZPVUYVTMA-UHFFFAOYSA-N 0 0 447.303 5.429 40 10 IKCBRN O=[N+]([O-])c1ccc(/N=N/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000012618857 527345514 /nfs/dbraw/zinc/34/55/14/527345514.db2.gz YJXDTGAEROVIRF-CYYJNZCTSA-N 0 0 428.496 6.059 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000009010391 555506494 /nfs/dbraw/zinc/50/64/94/555506494.db2.gz MEFSZRVSQIJVBG-KSMMKXTCSA-N 0 0 433.289 5.135 40 10 IKCBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(N)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000930575 555585349 /nfs/dbraw/zinc/58/53/49/555585349.db2.gz IHJCXXHUULCMPX-UHFFFAOYSA-N 0 0 449.967 5.209 40 10 IKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1c(Cl)cccc1Cl ZINC000001438713 555697193 /nfs/dbraw/zinc/69/71/93/555697193.db2.gz MMYXHHIESVVRMQ-UHFFFAOYSA-N 0 0 447.303 5.429 40 10 IKCBRN Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001669954 555708857 /nfs/dbraw/zinc/70/88/57/555708857.db2.gz AMTWUDMKCXRHLJ-DMMSUNFISA-N 0 0 449.984 6.745 40 10 IKCBRN COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1OC ZINC000001688912 555709627 /nfs/dbraw/zinc/70/96/27/555709627.db2.gz GGVCXOUKAXNJKR-BKUYFWCQSA-N 0 0 444.483 5.273 40 10 IKCBRN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2c(O)ccc3ccccc32)cc1 ZINC000001717335 555710867 /nfs/dbraw/zinc/71/08/67/555710867.db2.gz AMKRBDFRGPGFSN-UHFFFAOYSA-N 0 0 426.516 5.588 40 10 IKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000002365434 555772626 /nfs/dbraw/zinc/77/26/26/555772626.db2.gz LEKTUPPNZNUPTC-RCCKNPSSSA-N 0 0 432.570 5.378 40 10 IKCBRN C[C@H]1CC[C@@](C)(COC(=O)c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)C1(C)C ZINC000003846125 555947963 /nfs/dbraw/zinc/94/79/63/555947963.db2.gz RXKGVUCNZGYOMG-QYHXTZSESA-N 0 0 430.548 7.580 40 10 IKCBRN C[C@@H]1CC[C@@](C)(COC(=O)c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)C1(C)C ZINC000003846124 555948008 /nfs/dbraw/zinc/94/80/08/555948008.db2.gz RXKGVUCNZGYOMG-OLNCMMQQSA-N 0 0 430.548 7.580 40 10 IKCBRN CC(C)(C)c1cc(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000003846787 555948478 /nfs/dbraw/zinc/94/84/78/555948478.db2.gz QDPUHWNYAREOGN-QVIHXGFCSA-N 0 0 438.656 8.703 40 10 IKCBRN Nc1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1/N=N/c1cccc([N+](=O)[O-])c1 ZINC000003849196 555948583 /nfs/dbraw/zinc/94/85/83/555948583.db2.gz SLGAATAVDOIDDD-WCWDXBQESA-N 0 0 433.375 5.382 40 10 IKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000004107013 555962841 /nfs/dbraw/zinc/96/28/41/555962841.db2.gz PLAIEIXVHBMPDU-IWIPYMOSSA-N 0 0 445.538 5.624 40 10 IKCBRN COc1ccc2nc3cc(Cl)ccc3c(NC(=O)CSc3ccc(Cl)cc3)c2c1 ZINC000004366684 555990527 /nfs/dbraw/zinc/99/05/27/555990527.db2.gz YVLPZOZBSYHHFX-UHFFFAOYSA-N 0 0 443.355 6.434 40 10 IKCBRN O=C1c2ccccc2C(=O)[C@H]2[C@@H]1[C@@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000004822482 556013345 /nfs/dbraw/zinc/01/33/45/556013345.db2.gz FPPDSNPJQKKTIP-KMKVIZFGSA-N 0 0 429.519 6.301 40 10 IKCBRN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000005972957 556071499 /nfs/dbraw/zinc/07/14/99/556071499.db2.gz MVVPIAAVGAWJNQ-BJCBFJDFSA-N 0 0 439.640 6.902 40 10 IKCBRN O=C1/C(=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408721623 556147465 /nfs/dbraw/zinc/14/74/65/556147465.db2.gz VRFTZFNTHHAIJL-RFEFPKJKSA-N 0 0 447.335 5.319 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 ZINC000035644933 556201417 /nfs/dbraw/zinc/20/14/17/556201417.db2.gz NLVJJSJAOWCZIQ-LFVJCYFKSA-N 0 0 444.556 6.055 40 10 IKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)S2)cc1 ZINC000035646404 556204388 /nfs/dbraw/zinc/20/43/88/556204388.db2.gz AKSVOJDZCYDNFW-UNOMPAQXSA-N 0 0 439.334 6.100 40 10 IKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008819072 556218379 /nfs/dbraw/zinc/21/83/79/556218379.db2.gz HAJWDEVEVIJIKA-VCHYOVAHSA-N 0 0 449.746 6.989 40 10 IKCBRN COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000008819661 556219331 /nfs/dbraw/zinc/21/93/31/556219331.db2.gz XUEXUAMEHPWZHS-HKWRFOASSA-N 0 0 440.590 5.096 40 10 IKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000008819791 556219483 /nfs/dbraw/zinc/21/94/83/556219483.db2.gz XUFWFZSQJIDNLN-SILNSSARSA-N 0 0 430.639 5.206 40 10 IKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000008819741 556219541 /nfs/dbraw/zinc/21/95/41/556219541.db2.gz ZXRSOYXFZBGKDT-PGMHBOJBSA-N 0 0 438.618 5.704 40 10 IKCBRN CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000008819733 556219559 /nfs/dbraw/zinc/21/95/59/556219559.db2.gz GJVIVWABHLLBIK-FXBPSFAMSA-N 0 0 438.618 5.107 40 10 IKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Cl ZINC000008819674 556219563 /nfs/dbraw/zinc/21/95/63/556219563.db2.gz QBIJWHOKCOFBRR-CYVLTUHYSA-N 0 0 445.009 5.740 40 10 IKCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000008820345 556220114 /nfs/dbraw/zinc/22/01/14/556220114.db2.gz NFGXFBKPXIBVSR-XDJHFCHBSA-N 0 0 442.606 5.088 40 10 IKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000008820619 556220790 /nfs/dbraw/zinc/22/07/90/556220790.db2.gz DJQVUYAVFFEPOE-UJUKKVGJSA-N 0 0 428.966 5.126 40 10 IKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820971 556221690 /nfs/dbraw/zinc/22/16/90/556221690.db2.gz QTGNKLHJQLQHHQ-VCHYOVAHSA-N 0 0 431.300 6.041 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OC)c3)SC2=S)cc1 ZINC000008821336 556222438 /nfs/dbraw/zinc/22/24/38/556222438.db2.gz FBIZKDORHUTLQB-QNGOZBTKSA-N 0 0 427.591 5.842 40 10 IKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c1 ZINC000008821409 556222506 /nfs/dbraw/zinc/22/25/06/556222506.db2.gz DCLQCLRYRYMZPK-UDWIEESQSA-N 0 0 425.962 6.623 40 10 IKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 ZINC000008821423 556222788 /nfs/dbraw/zinc/22/27/88/556222788.db2.gz IIPWUQMROFPFTC-UDWIEESQSA-N 0 0 439.945 6.208 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 ZINC000008821510 556222798 /nfs/dbraw/zinc/22/27/98/556222798.db2.gz PWTDUMNNBQXDSN-DEDYPNTBSA-N 0 0 436.514 5.823 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000008821579 556223128 /nfs/dbraw/zinc/22/31/28/556223128.db2.gz YANDUIMBHIOOBY-AQTBWJFISA-N 0 0 432.408 6.198 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c(OC)c1 ZINC000008821570 556223140 /nfs/dbraw/zinc/22/31/40/556223140.db2.gz OZXDCRKDNVJZKT-SXGWCWSVSA-N 0 0 426.346 5.416 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)S1 ZINC000008821731 556223641 /nfs/dbraw/zinc/22/36/41/556223641.db2.gz HUEMGIPKMMWHOB-JLPGSUDCSA-N 0 0 428.557 6.219 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1 ZINC000008821738 556223648 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556251155 /nfs/dbraw/zinc/25/11/55/556251155.db2.gz HCWAMXRZUCQVCW-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000009188432 556251163 /nfs/dbraw/zinc/25/11/63/556251163.db2.gz MRJOQSLSXGNMOA-ZHZULCJRSA-N 0 0 439.646 6.389 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000009188601 556251273 /nfs/dbraw/zinc/25/12/73/556251273.db2.gz WERNEGVGCUAJES-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188558 556251278 /nfs/dbraw/zinc/25/12/78/556251278.db2.gz UREIWQVUOCKZEO-NDENLUEZSA-N 0 0 442.392 7.066 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000009188581 556251288 /nfs/dbraw/zinc/25/12/88/556251288.db2.gz YGOLZMNTVZVYLF-IWIPYMOSSA-N 0 0 445.609 6.597 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)c(C)c1 ZINC000009188600 556251338 /nfs/dbraw/zinc/25/13/38/556251338.db2.gz BVNQJFFFCHYISP-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1C ZINC000009188589 556251367 /nfs/dbraw/zinc/25/13/67/556251367.db2.gz JGOBHTOGGRLJTI-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000009188789 556252016 /nfs/dbraw/zinc/25/20/16/556252016.db2.gz RGQIEKFBPIUAOJ-KQWNVCNZSA-N 0 0 431.582 6.234 40 10 IKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000009188812 556252050 /nfs/dbraw/zinc/25/20/50/556252050.db2.gz AONHRNIPFAZXIH-JWGURIENSA-N 0 0 433.554 6.283 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000009232382 556261698 /nfs/dbraw/zinc/26/16/98/556261698.db2.gz POOJOVDCRMEOOP-HZHRSRAPSA-N 0 0 447.581 5.988 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1N1CCCC1 ZINC000009233373 556262407 /nfs/dbraw/zinc/26/24/07/556262407.db2.gz HGDZPCJYOHNHBW-UDWIEESQSA-N 0 0 447.387 6.139 40 10 IKCBRN Cc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 ZINC000028048289 556443008 /nfs/dbraw/zinc/44/30/08/556443008.db2.gz ZYZAHJGCJJRECE-XQNSMLJCSA-N 0 0 433.939 5.124 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000408874476 556464903 /nfs/dbraw/zinc/46/49/03/556464903.db2.gz CGNYVAHYGXPRPH-IYPVNNRCSA-N 0 0 446.333 6.595 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000408894623 556479702 /nfs/dbraw/zinc/47/97/02/556479702.db2.gz RWXKREJIWWHTCW-ODLFYWEKSA-N 0 0 430.331 5.878 40 10 IKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408895022 556482258 /nfs/dbraw/zinc/48/22/58/556482258.db2.gz KDQDGZNXKWJLJS-AUWJEWJLSA-N 0 0 430.765 5.715 40 10 IKCBRN Cn1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000015008742 556482563 /nfs/dbraw/zinc/48/25/63/556482563.db2.gz XCUMIHKPTTURDI-RQZCQDPDSA-N 0 0 429.364 5.347 40 10 IKCBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000408901250 556488884 /nfs/dbraw/zinc/48/88/84/556488884.db2.gz COOUUGVEJOFIEX-DEDYPNTBSA-N 0 0 435.526 5.447 40 10 IKCBRN CCN(CC)c1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000015056985 556490150 /nfs/dbraw/zinc/49/01/50/556490150.db2.gz PPZFLMBLGOOJRL-AQTBWJFISA-N 0 0 440.619 5.371 40 10 IKCBRN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1C ZINC000408902970 556490267 /nfs/dbraw/zinc/49/02/67/556490267.db2.gz SVJHQWBSZOXGRC-DEDYPNTBSA-N 0 0 435.526 5.447 40 10 IKCBRN COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408902751 556490301 /nfs/dbraw/zinc/49/03/01/556490301.db2.gz QYYOGBWWPLFNFS-NTEUORMPSA-N 0 0 440.771 5.517 40 10 IKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccccc1 ZINC000408901905 556490747 /nfs/dbraw/zinc/49/07/47/556490747.db2.gz IRRSYHLOVSTIET-LDADJPATSA-N 0 0 435.486 5.188 40 10 IKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OC(C)C ZINC000408905185 556492655 /nfs/dbraw/zinc/49/26/55/556492655.db2.gz UWAXUZPZNDHEEU-WOJGMQOQSA-N 0 0 443.341 5.441 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 ZINC000013403670 556504598 /nfs/dbraw/zinc/50/45/98/556504598.db2.gz ORHDKMRVYYTPMO-MFYXSQMNSA-N 0 0 446.510 5.299 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000013547607 556514220 /nfs/dbraw/zinc/51/42/20/556514220.db2.gz CFAUUHNKAOTTOR-HAHDFKILSA-N 0 0 431.582 5.975 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000015277008 556514599 /nfs/dbraw/zinc/51/45/99/556514599.db2.gz DTNLVIHPKKOAPN-LYBHJNIJSA-N 0 0 433.621 5.458 40 10 IKCBRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1 ZINC000031628986 556524712 /nfs/dbraw/zinc/52/47/12/556524712.db2.gz LJFIQMUDEMGRBP-UHFFFAOYSA-N 0 0 430.375 6.893 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408935929 556533062 /nfs/dbraw/zinc/53/30/62/556533062.db2.gz FEPQJQDKXFPTPD-HZHRSRAPSA-N 0 0 430.891 5.361 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000032124874 556533708 /nfs/dbraw/zinc/53/37/08/556533708.db2.gz XUXQCZZZBARRRS-LDADJPATSA-N 0 0 430.576 5.666 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408940086 556538089 /nfs/dbraw/zinc/53/80/89/556538089.db2.gz NMSDOTWGKLCYLK-KOEQRZSOSA-N 0 0 436.486 6.364 40 10 IKCBRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(N(CC)CC)cc2)C1C(=O)OCC ZINC000013634862 556540508 /nfs/dbraw/zinc/54/05/08/556540508.db2.gz DSAZQAUWHOOCDJ-XMMPIXPASA-N 0 0 432.568 5.515 40 10 IKCBRN CN(C)c1ccc(/C=C2\S[C@@H](c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000032597793 556542662 /nfs/dbraw/zinc/54/26/62/556542662.db2.gz DBUNPJIDBGGFBP-FCKOQQNDSA-N 0 0 436.964 5.931 40 10 IKCBRN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000408959767 556562919 /nfs/dbraw/zinc/56/29/19/556562919.db2.gz FOXCMASOSHWLIB-NDENLUEZSA-N 0 0 430.335 5.077 40 10 IKCBRN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000408961010 556564056 /nfs/dbraw/zinc/56/40/56/556564056.db2.gz PSSSAEXLISILOU-MOSHPQCFSA-N 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COc1ccc(COc2ccc(C=C3SC(Nc4ccc(C)cc4)=NC3=O)cc2)cc1 ZINC000016293188 556598441 /nfs/dbraw/zinc/59/84/41/556598441.db2.gz CKNQRKVRGCRPJQ-HAHDFKILSA-N 0 0 430.529 5.665 40 10 IKCBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000016322830 556600596 /nfs/dbraw/zinc/60/05/96/556600596.db2.gz YRRTYSHKHKSVRQ-UHFFFAOYSA-N 0 0 435.571 7.034 40 10 IKCBRN O=C1NC(=S)S/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000016492634 556612586 /nfs/dbraw/zinc/61/25/86/556612586.db2.gz STQTUGFCNTYNLM-HAVVHWLPSA-N 0 0 438.577 6.300 40 10 IKCBRN O=C(c1ccncc1)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000016525758 556614364 /nfs/dbraw/zinc/61/43/64/556614364.db2.gz FEJAINNNRJLEJR-STZFKDTASA-N 0 0 426.522 5.430 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1 ZINC000016678468 556623233 /nfs/dbraw/zinc/62/32/33/556623233.db2.gz QYPDLIIWOPMBOI-YVLHZVERSA-N 0 0 436.770 6.299 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)cc1 ZINC000016678589 556623257 /nfs/dbraw/zinc/62/32/57/556623257.db2.gz MTJPFOGKDAEMDZ-UHFFFAOYSA-N 0 0 449.938 6.255 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 ZINC000016678552 556623285 /nfs/dbraw/zinc/62/32/85/556623285.db2.gz PGYPFJDNVRIWRH-UHFFFAOYSA-N 0 0 426.731 5.650 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000016678599 556623451 /nfs/dbraw/zinc/62/34/51/556623451.db2.gz CZUVSVHMAALMPB-UHFFFAOYSA-N 0 0 430.464 5.502 40 10 IKCBRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1 ZINC000016678607 556623474 /nfs/dbraw/zinc/62/34/74/556623474.db2.gz FDBCEKKSILOEHW-UHFFFAOYSA-N 0 0 429.520 5.992 40 10 IKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccc(Cl)c1 ZINC000408976576 556629791 /nfs/dbraw/zinc/62/97/91/556629791.db2.gz ROTMVXVKVCCRSQ-UHFFFAOYSA-N 0 0 433.898 6.995 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C)c1 ZINC000016713251 556630432 /nfs/dbraw/zinc/63/04/32/556630432.db2.gz HWPMIPNJCSFVSU-HZHRSRAPSA-N 0 0 427.460 5.288 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000033768098 556631358 /nfs/dbraw/zinc/63/13/58/556631358.db2.gz HXNBAKBZZRDDLX-RSRMSENYSA-N 0 0 439.972 5.413 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=N)S1 ZINC000033762477 556631657 /nfs/dbraw/zinc/63/16/57/556631657.db2.gz WSVLNZGQZCKGMI-QNPCYTEQSA-N 0 0 447.608 5.910 40 10 IKCBRN COc1ccc(C(=O)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408977985 556633611 /nfs/dbraw/zinc/63/36/11/556633611.db2.gz XLRSXADHGZZQNN-UHFFFAOYSA-N 0 0 430.463 6.317 40 10 IKCBRN O=C1/C(=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000016779302 556641040 /nfs/dbraw/zinc/64/10/40/556641040.db2.gz AEGRPEZBLVBOQF-TYACBBDOSA-N 0 0 435.570 5.127 40 10 IKCBRN O=C1/C(=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000016779298 556641082 /nfs/dbraw/zinc/64/10/82/556641082.db2.gz AEGRPEZBLVBOQF-SIDZRIOQSA-N 0 0 435.570 5.127 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 ZINC000083302503 556663112 /nfs/dbraw/zinc/66/31/12/556663112.db2.gz NGKUIVLWECGJFP-MOSHPQCFSA-N 0 0 425.506 5.890 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000083314471 556663557 /nfs/dbraw/zinc/66/35/57/556663557.db2.gz MCJWKFPFLUPCDD-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=S)SC)c2-c2ccccc2)cc1 ZINC000017130560 556669100 /nfs/dbraw/zinc/66/91/00/556669100.db2.gz MPWQLFANXPAMSL-OCEACIFDSA-N 0 0 444.585 7.137 40 10 IKCBRN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000017288262 556674565 /nfs/dbraw/zinc/67/45/65/556674565.db2.gz WMMQGHLXLYYTOX-DEDYPNTBSA-N 0 0 435.957 6.437 40 10 IKCBRN Cc1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000017302826 556675090 /nfs/dbraw/zinc/67/50/90/556675090.db2.gz SMALRPZTMLNUDX-CYYJNZCTSA-N 0 0 426.432 6.430 40 10 IKCBRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018010380 556681632 /nfs/dbraw/zinc/68/16/32/556681632.db2.gz DGWQNQHXRTXRES-OCEACIFDSA-N 0 0 434.710 7.080 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)c1 ZINC000408759095 556682706 /nfs/dbraw/zinc/68/27/06/556682706.db2.gz XSXUMCYTABADGN-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1Cl ZINC000408984976 556686278 /nfs/dbraw/zinc/68/62/78/556686278.db2.gz JUYBHHCLLVIXDY-WOJGMQOQSA-N 0 0 440.757 7.427 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc2ccccc2c1 ZINC000408984970 556686307 /nfs/dbraw/zinc/68/63/07/556686307.db2.gz JPHUAOXGZNEORW-HYARGMPZSA-N 0 0 442.345 7.618 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408984981 556686335 /nfs/dbraw/zinc/68/63/35/556686335.db2.gz JWEGJCFIDZLPRI-NBVRZTHBSA-N 0 0 436.736 6.574 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408759777 556686963 /nfs/dbraw/zinc/68/69/63/556686963.db2.gz LKZYZOCEHSFYIF-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408759405 556686980 /nfs/dbraw/zinc/68/69/80/556686980.db2.gz DLMOQVOCFMZHMS-RGVLZGJSSA-N 0 0 445.708 6.620 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(O)c3)C2=O)cc1OC ZINC000408759604 556686990 /nfs/dbraw/zinc/68/69/90/556686990.db2.gz HVTGBIFJCSKGKY-LDADJPATSA-N 0 0 433.891 5.534 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408760518 556687262 /nfs/dbraw/zinc/68/72/62/556687262.db2.gz ACWVPMBGFSZBLI-PXLXIMEGSA-N 0 0 437.326 6.227 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3Cl)C2=O)cc1 ZINC000408985946 556687426 /nfs/dbraw/zinc/68/74/26/556687426.db2.gz ODJZYLSMFZNXJS-XDJHFCHBSA-N 0 0 436.338 6.863 40 10 IKCBRN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C=C1c1ccc(Cl)cc1 ZINC000408761103 556687507 /nfs/dbraw/zinc/68/75/07/556687507.db2.gz HUWQLDUTROKZJW-RCCKNPSSSA-N 0 0 445.946 6.391 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 ZINC000408760929 556687510 /nfs/dbraw/zinc/68/75/10/556687510.db2.gz BBUIIUZFARVHIU-KGENOOAVSA-N 0 0 433.851 5.091 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408760799 556687515 /nfs/dbraw/zinc/68/75/15/556687515.db2.gz GEBSFEVESXLJOP-DEDYPNTBSA-N 0 0 436.870 5.331 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(Cl)ccc3OC)C2=O)cc1 ZINC000408985822 556687672 /nfs/dbraw/zinc/68/76/72/556687672.db2.gz NMQJDWZZMSMUKA-HMMYKYKNSA-N 0 0 431.919 6.219 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)nc3)C2=O)cc1 ZINC000408986286 556687912 /nfs/dbraw/zinc/68/79/12/556687912.db2.gz PLYOEPUSHBXMBI-XMHGGMMESA-N 0 0 432.907 5.614 40 10 IKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408986255 556687918 /nfs/dbraw/zinc/68/79/18/556687918.db2.gz PDIAGCAOHONZKK-XMHGGMMESA-N 0 0 436.338 6.863 40 10 IKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1cccc(C)c1 ZINC000070453896 556699975 /nfs/dbraw/zinc/69/99/75/556699975.db2.gz JTARESMQOJQOPT-UHFFFAOYSA-N 0 0 440.543 6.541 40 10 IKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634610 556705455 /nfs/dbraw/zinc/70/54/55/556705455.db2.gz KLLKBTDTOANIRJ-SGIRGMQISA-N 0 0 432.545 5.323 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408996951 556709812 /nfs/dbraw/zinc/70/98/12/556709812.db2.gz KRJXYZMDRMLASH-MOSHPQCFSA-N 0 0 440.337 5.450 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000409000590 556710669 /nfs/dbraw/zinc/71/06/69/556710669.db2.gz YZMIJAXEWOMVDZ-PDGQHHTCSA-N 0 0 446.728 5.370 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1Br ZINC000409002816 556712196 /nfs/dbraw/zinc/71/21/96/556712196.db2.gz WNQRYYPNPNJLFR-XSFVSMFZSA-N 0 0 434.337 5.663 40 10 IKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)c1 ZINC000409009924 556714510 /nfs/dbraw/zinc/71/45/10/556714510.db2.gz ANEHAJWAOOSYKU-GNUZOCDUSA-N 0 0 426.538 5.106 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409015975 556719648 /nfs/dbraw/zinc/71/96/48/556719648.db2.gz SZXODXUAAUBYEJ-JLPGSUDCSA-N 0 0 446.591 5.716 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409016012 556719933 /nfs/dbraw/zinc/71/99/33/556719933.db2.gz TZCWWTOLYRVGQP-YBFXNURJSA-N 0 0 426.303 5.498 40 10 IKCBRN Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409019111 556722143 /nfs/dbraw/zinc/72/21/43/556722143.db2.gz IHCYAHICADOWRM-HZHRSRAPSA-N 0 0 441.918 5.749 40 10 IKCBRN CC[C@H](C)Oc1c(Cl)cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc1OC ZINC000136254197 556722341 /nfs/dbraw/zinc/72/23/41/556722341.db2.gz OXYIXBYHZGPJBW-YQNUULROSA-N 0 0 430.957 5.917 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000409021497 556723357 /nfs/dbraw/zinc/72/33/57/556723357.db2.gz KHXWQMNIUOHRLA-YBEGLDIGSA-N 0 0 435.829 5.544 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000033918747 556724348 /nfs/dbraw/zinc/72/43/48/556724348.db2.gz KPVOQMXNAJFQPD-WMEYRTBOSA-N 0 0 449.923 5.008 40 10 IKCBRN CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)S1 ZINC000409024329 556724971 /nfs/dbraw/zinc/72/49/71/556724971.db2.gz JUKDCMIYVLEYRA-MTJSOVHGSA-N 0 0 436.920 5.179 40 10 IKCBRN CCCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 ZINC000409030781 556728717 /nfs/dbraw/zinc/72/87/17/556728717.db2.gz FPBFBKMHLWVUEN-XSFVSMFZSA-N 0 0 425.454 6.017 40 10 IKCBRN COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccc(N(C)C)cc1 ZINC000019325341 556736434 /nfs/dbraw/zinc/73/64/34/556736434.db2.gz WJOWYOBDSBDZPX-UHFFFAOYSA-N 0 0 445.607 5.177 40 10 IKCBRN COc1ccc2ccccc2c1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409039613 556750492 /nfs/dbraw/zinc/75/04/92/556750492.db2.gz RNPHGJQTIYZCSF-LCYFTJDESA-N 0 0 432.348 5.350 40 10 IKCBRN COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000001096147 556750493 /nfs/dbraw/zinc/75/04/93/556750493.db2.gz MUDMZZZWAQDKBZ-AVCJSFLBSA-N 0 0 440.754 6.499 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000409046641 556752189 /nfs/dbraw/zinc/75/21/89/556752189.db2.gz KUVBUGXSKMMCKY-PXLXIMEGSA-N 0 0 445.906 5.164 40 10 IKCBRN Cc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1C ZINC000000924774 556752393 /nfs/dbraw/zinc/75/23/93/556752393.db2.gz DBIUONJOCFVKBI-UHFFFAOYSA-N 0 0 435.524 5.678 40 10 IKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1C ZINC000409044713 556755060 /nfs/dbraw/zinc/75/50/60/556755060.db2.gz HMDWDOJVLXBKCK-XYOKQWHBSA-N 0 0 433.380 5.297 40 10 IKCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000929891 556755815 /nfs/dbraw/zinc/75/58/15/556755815.db2.gz AHGWGAOAUXFZOP-NRFANRHFSA-N 0 0 443.572 5.613 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409057152 556755888 /nfs/dbraw/zinc/75/58/88/556755888.db2.gz IYLABVYHFIPWAJ-IWIPYMOSSA-N 0 0 444.506 5.419 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409057292 556755977 /nfs/dbraw/zinc/75/59/77/556755977.db2.gz JPAFZGKTHVCXLH-QNGOZBTKSA-N 0 0 444.506 5.419 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409056849 556759228 /nfs/dbraw/zinc/75/92/28/556759228.db2.gz ONKWVAGMIRBBAJ-ULJHMMPZSA-N 0 0 440.543 5.670 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409062279 556759386 /nfs/dbraw/zinc/75/93/86/556759386.db2.gz RFGAXWFFUQSZEQ-IWIPYMOSSA-N 0 0 444.506 5.106 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408762469 556761175 /nfs/dbraw/zinc/76/11/75/556761175.db2.gz KNJNCVHSHJZEDV-PXLXIMEGSA-N 0 0 447.332 5.682 40 10 IKCBRN O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000409074316 556776172 /nfs/dbraw/zinc/77/61/72/556776172.db2.gz SZYTTZRFBRVMBS-ODLFYWEKSA-N 0 0 434.895 5.455 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCc2ccccc21 ZINC000001340079 556777893 /nfs/dbraw/zinc/77/78/93/556777893.db2.gz IMLBYJXZIUBXNE-UHFFFAOYSA-N 0 0 440.012 5.931 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3cccc(F)c3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409090431 556792286 /nfs/dbraw/zinc/79/22/86/556792286.db2.gz NFFBIEZZKBEHKF-ZXVVBBHZSA-N 0 0 448.497 6.239 40 10 IKCBRN COc1ccc(CN(Cc2ccncc2)Cc2ccc(N3CCCC3)c(F)c2)c(OC)c1 ZINC000019552164 556796032 /nfs/dbraw/zinc/79/60/32/556796032.db2.gz XDOYWDIGVGIUCH-UHFFFAOYSA-N 0 0 435.543 5.041 40 10 IKCBRN CCN(CC)c1ccc(C2N(c3ccc(OC)cc3)CCN2c2ccc(OC)cc2)cc1 ZINC000059843776 556804934 /nfs/dbraw/zinc/80/49/34/556804934.db2.gz NFIAJKKJFCSFJG-UHFFFAOYSA-N 0 0 431.580 5.575 40 10 IKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC)C3=O)c2C)cc1 ZINC000409124939 556825465 /nfs/dbraw/zinc/82/54/65/556825465.db2.gz CKCMOUVQZTVQLZ-ZHZULCJRSA-N 0 0 426.538 5.107 40 10 IKCBRN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000006014827 556828969 /nfs/dbraw/zinc/82/89/69/556828969.db2.gz YPVVGGRJCWUGMN-UHFFFAOYSA-N 0 0 431.517 5.125 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408766574 556830013 /nfs/dbraw/zinc/83/00/13/556830013.db2.gz VPRDPYNPAGVYDD-RGEXLXHISA-N 0 0 436.338 6.782 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2Cl)cc1 ZINC000408766935 556830094 /nfs/dbraw/zinc/83/00/94/556830094.db2.gz XDYATWMYEDFELV-CJLVFECKSA-N 0 0 432.907 5.582 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409126300 556832855 /nfs/dbraw/zinc/83/28/55/556832855.db2.gz BMSJEAWJOHQVPP-XQNSMLJCSA-N 0 0 434.536 5.902 40 10 IKCBRN O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)N1CCc2ccccc2C1 ZINC000006446875 556833545 /nfs/dbraw/zinc/83/35/45/556833545.db2.gz ANMKPIAITQENPI-UHFFFAOYSA-N 0 0 447.535 5.008 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409132913 556843302 /nfs/dbraw/zinc/84/33/02/556843302.db2.gz PHAWZBZMYPIPSS-KOEQRZSOSA-N 0 0 444.600 6.380 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408770564 556847424 /nfs/dbraw/zinc/84/74/24/556847424.db2.gz ZASIAYHNUBALQR-UQQQWYQISA-N 0 0 439.511 5.451 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409134762 556848130 /nfs/dbraw/zinc/84/81/30/556848130.db2.gz PQLYYRPFKWBRGW-ODLFYWEKSA-N 0 0 426.994 5.736 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000408786155 556856246 /nfs/dbraw/zinc/85/62/46/556856246.db2.gz FULMSFFBXHJXJL-LFVJCYFKSA-N 0 0 432.479 6.528 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1 ZINC000408786441 556856374 /nfs/dbraw/zinc/85/63/74/556856374.db2.gz JZWPRYXEGKLBMR-GTWFGUSFSA-N 0 0 447.604 5.655 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408840287 556867207 /nfs/dbraw/zinc/86/72/07/556867207.db2.gz DDPVVFOIVQXMDD-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1 ZINC000408840130 556867269 /nfs/dbraw/zinc/86/72/69/556867269.db2.gz BHRMTHULFSSIBA-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(O)cc2)c1 ZINC000408840098 556867289 /nfs/dbraw/zinc/86/72/89/556867289.db2.gz AZVRMASVZMFDCU-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408841508 556867502 /nfs/dbraw/zinc/86/75/02/556867502.db2.gz HJWJWVMQTBTYDQ-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408840979 556867518 /nfs/dbraw/zinc/86/75/18/556867518.db2.gz DZDSLTBJRXMJRS-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000408841804 556867676 /nfs/dbraw/zinc/86/76/76/556867676.db2.gz HQUZHUBUAFWJAF-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 ZINC000408841838 556867685 /nfs/dbraw/zinc/86/76/85/556867685.db2.gz HWRLTKZAEDBEDK-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408843767 556868333 /nfs/dbraw/zinc/86/83/33/556868333.db2.gz NNVIBLFLWULBAL-MYYYXRDXSA-N 0 0 430.935 6.342 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408847379 556869109 /nfs/dbraw/zinc/86/91/09/556869109.db2.gz VJFDKROKGOWBDE-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000408848590 556870188 /nfs/dbraw/zinc/87/01/88/556870188.db2.gz XHANOLMVJQRWLE-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409138347 556873078 /nfs/dbraw/zinc/87/30/78/556873078.db2.gz AHYLZXBDMMWBKI-KOEQRZSOSA-N 0 0 444.600 6.380 40 10 IKCBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)c2c1 ZINC000409141492 556873548 /nfs/dbraw/zinc/87/35/48/556873548.db2.gz IUDDVRVMYDKXOT-JCMHNJIXSA-N 0 0 446.528 5.038 40 10 IKCBRN COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O ZINC000409144611 556874098 /nfs/dbraw/zinc/87/40/98/556874098.db2.gz MAGGOTQAXARBCQ-INIZCTEOSA-N 0 0 426.390 5.016 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1 ZINC000409145229 556874140 /nfs/dbraw/zinc/87/41/40/556874140.db2.gz PUGCXSQRUSYSDJ-HZHRSRAPSA-N 0 0 438.593 6.109 40 10 IKCBRN CCCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O ZINC000409145585 556874317 /nfs/dbraw/zinc/87/43/17/556874317.db2.gz QZQCRRGXISZVRL-WQRHYEAKSA-N 0 0 447.398 5.920 40 10 IKCBRN CCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408872121 556875247 /nfs/dbraw/zinc/87/52/47/556875247.db2.gz KVDVBIXXHXTTLS-UHFFFAOYSA-N 0 0 446.890 5.322 40 10 IKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc3ccccc32)N1 ZINC000408873805 556875749 /nfs/dbraw/zinc/87/57/49/556875749.db2.gz VYBHWAKOWXOCSK-FXEKFNFISA-N 0 0 427.503 6.442 40 10 IKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409151547 556876963 /nfs/dbraw/zinc/87/69/63/556876963.db2.gz HQZOLZFSHSCHDU-LQWHRVPQSA-N 0 0 429.345 6.415 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408883837 556877742 /nfs/dbraw/zinc/87/77/42/556877742.db2.gz REUBLXWTLYGLIY-XKZIYDEJSA-N 0 0 436.964 6.292 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000409152455 556878275 /nfs/dbraw/zinc/87/82/75/556878275.db2.gz JVRVHLMAEQRJGG-HHJKRLRDSA-N 0 0 438.423 8.112 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 ZINC000409155798 556879793 /nfs/dbraw/zinc/87/97/93/556879793.db2.gz CSZCQBFHUXZGDM-QHRIQVFBSA-N 0 0 431.286 5.201 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408895691 556880910 /nfs/dbraw/zinc/88/09/10/556880910.db2.gz VNWUBJQZGQDRJT-AQTBWJFISA-N 0 0 446.330 5.659 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408891686 556881208 /nfs/dbraw/zinc/88/12/08/556881208.db2.gz BFJQETCVYRDFDN-ATVHPVEESA-N 0 0 432.303 5.269 40 10 IKCBRN O=C1/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1c1ccccc1 ZINC000408902168 556882351 /nfs/dbraw/zinc/88/23/51/556882351.db2.gz LGCGBLVEIFASHG-KGENOOAVSA-N 0 0 448.525 5.580 40 10 IKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408901875 556882864 /nfs/dbraw/zinc/88/28/64/556882864.db2.gz IFBPAYZIEKGBGE-LPYMAVHISA-N 0 0 446.934 6.042 40 10 IKCBRN CC[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408904639 556883842 /nfs/dbraw/zinc/88/38/42/556883842.db2.gz MNJOFYXDZWTUJY-XWAFYUISSA-N 0 0 443.341 5.441 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000408902732 556885540 /nfs/dbraw/zinc/88/55/40/556885540.db2.gz QQDDBNUHDJHHDP-NLRVBDNBSA-N 0 0 426.564 5.746 40 10 IKCBRN O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1 ZINC000408903208 556885817 /nfs/dbraw/zinc/88/58/17/556885817.db2.gz VQYRCFDSEVGUKM-RCCKNPSSSA-N 0 0 446.553 5.110 40 10 IKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408903527 556886112 /nfs/dbraw/zinc/88/61/12/556886112.db2.gz ZDHSBFJRPBJBJG-PXLXIMEGSA-N 0 0 434.586 5.899 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408934898 556895528 /nfs/dbraw/zinc/89/55/28/556895528.db2.gz BPZBZCUIXRAWGA-KGENOOAVSA-N 0 0 430.891 5.361 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408936016 556895761 /nfs/dbraw/zinc/89/57/61/556895761.db2.gz FMWLJHFHEFPYKG-HZHRSRAPSA-N 0 0 430.891 5.361 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408943354 556897573 /nfs/dbraw/zinc/89/75/73/556897573.db2.gz SBAQRKZWUQEDJM-HYARGMPZSA-N 0 0 437.326 6.379 40 10 IKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(I)cc1 ZINC000408968120 556903557 /nfs/dbraw/zinc/90/35/57/556903557.db2.gz WORHPSMCYYVFIS-UHFFFAOYSA-N 0 0 438.106 5.820 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1Br ZINC000408975783 556906055 /nfs/dbraw/zinc/90/60/55/556906055.db2.gz NJTYUAMGQAFBKN-GIJQJNRQSA-N 0 0 429.358 5.028 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3OCC)C2=O)cc1 ZINC000408983466 556908157 /nfs/dbraw/zinc/90/81/57/556908157.db2.gz BYAVMMBRFCWVLM-HEHNFIMWSA-N 0 0 445.946 6.609 40 10 IKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)c1 ZINC000408983287 556908201 /nfs/dbraw/zinc/90/82/01/556908201.db2.gz AJNZVGISTFLWSG-HAVVHWLPSA-N 0 0 439.511 5.733 40 10 IKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408985008 556908975 /nfs/dbraw/zinc/90/89/75/556908975.db2.gz KFDOHQIWESDRRV-QGOAFFKASA-N 0 0 436.736 6.574 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C(C)C)C2=O)cc1 ZINC000408984997 556909042 /nfs/dbraw/zinc/90/90/42/556909042.db2.gz KARTXAYMHLNMGO-OQKWZONESA-N 0 0 443.974 7.333 40 10 IKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccco4)C3=O)o2)cc1 ZINC000408986278 556909679 /nfs/dbraw/zinc/90/96/79/556909679.db2.gz PJZIUNUBRQJKEL-LTGZKZEYSA-N 0 0 437.451 5.798 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br ZINC000408986979 556909884 /nfs/dbraw/zinc/90/98/84/556909884.db2.gz UEUSPXHVAKVDED-CPNJWEJPSA-N 0 0 447.332 5.714 40 10 IKCBRN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408987784 556910232 /nfs/dbraw/zinc/91/02/32/556910232.db2.gz YCMUBDAKUWYVSW-KGENOOAVSA-N 0 0 434.366 7.588 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Br)cc1 ZINC000408993440 556912645 /nfs/dbraw/zinc/91/26/45/556912645.db2.gz CXRPEVCYSNVEEA-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2Cl)cc1 ZINC000408994749 556913255 /nfs/dbraw/zinc/91/32/55/556913255.db2.gz ILOZLBFFSGPBNA-KGENOOAVSA-N 0 0 448.906 5.200 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409001488 556914561 /nfs/dbraw/zinc/91/45/61/556914561.db2.gz WDMDUENPZSYTBU-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)SC1=S ZINC000409005482 556915834 /nfs/dbraw/zinc/91/58/34/556915834.db2.gz FBNNMAYABKZVMG-YVLHZVERSA-N 0 0 437.945 5.288 40 10 IKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S ZINC000409006420 556916046 /nfs/dbraw/zinc/91/60/46/556916046.db2.gz JJUQSVCCGNCWOC-SXGWCWSVSA-N 0 0 442.364 5.933 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409009933 556917693 /nfs/dbraw/zinc/91/76/93/556917693.db2.gz ANKRYEYHHVPSLE-JLPGSUDCSA-N 0 0 446.591 5.716 40 10 IKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409010492 556917896 /nfs/dbraw/zinc/91/78/96/556917896.db2.gz FDWMPDKYUSYURS-ZDLGFXPLSA-N 0 0 447.362 5.482 40 10 IKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000409013142 556918906 /nfs/dbraw/zinc/91/89/06/556918906.db2.gz SZPWYWNUJLFELC-NNLQFVHNSA-N 0 0 433.371 5.691 40 10 IKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C ZINC000409013709 556920101 /nfs/dbraw/zinc/92/01/01/556920101.db2.gz NPORXEQHSWVNTJ-YVLHZVERSA-N 0 0 433.335 5.093 40 10 IKCBRN 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ZINC000409051256 556932813 /nfs/dbraw/zinc/93/28/13/556932813.db2.gz BDOOFAMWRCBNIE-JJIBRWJFSA-N 0 0 432.519 7.017 40 10 IKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409054782 556938540 /nfs/dbraw/zinc/93/85/40/556938540.db2.gz NWOHPCSOPPSKQM-UCQKPKSFSA-N 0 0 432.614 6.112 40 10 IKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000409062184 556939920 /nfs/dbraw/zinc/93/99/20/556939920.db2.gz PFXFETZCPUHKTP-XYGWBWBKSA-N 0 0 440.543 5.588 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409069621 556944633 /nfs/dbraw/zinc/94/46/33/556944633.db2.gz WKYVVFQYQSRDSF-MFKUBSTISA-N 0 0 439.490 5.479 40 10 IKCBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2c1 ZINC000409092145 556952113 /nfs/dbraw/zinc/95/21/13/556952113.db2.gz VPVSJPZIVBKELE-OJSPLJLUSA-N 0 0 443.590 5.017 40 10 IKCBRN O=C(NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1)c1ccccc1 ZINC000409124714 556964469 /nfs/dbraw/zinc/96/44/69/556964469.db2.gz 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Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409143513 556975524 /nfs/dbraw/zinc/97/55/24/556975524.db2.gz CHGQZQPSPKHQOV-BKUYFWCQSA-N 0 0 439.537 5.619 40 10 IKCBRN COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409143914 556975734 /nfs/dbraw/zinc/97/57/34/556975734.db2.gz NJIIRMZZNYEGOG-HAVVHWLPSA-N 0 0 436.577 5.355 40 10 IKCBRN COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=S)N(CCc2ccccc2)C1=O ZINC000409144614 556976262 /nfs/dbraw/zinc/97/62/62/556976262.db2.gz MAGGOTQAXARBCQ-MRXNPFEDSA-N 0 0 426.390 5.016 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000409163768 556978274 /nfs/dbraw/zinc/97/82/74/556978274.db2.gz XPZVUGWBHURBQB-JCYRPKCISA-N 0 0 428.557 7.022 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 ZINC000409163884 556978301 /nfs/dbraw/zinc/97/83/01/556978301.db2.gz ZBLWEULDMALEBJ-UMEGOILYSA-N 0 0 432.361 6.951 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409153372 556978894 /nfs/dbraw/zinc/97/88/94/556978894.db2.gz HVOWVHLYWOCWMW-PBFPGSCMSA-N 0 0 428.679 6.948 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000409164432 556978911 /nfs/dbraw/zinc/97/89/11/556978911.db2.gz IKHIGQBCSFOTBY-RLFDGXBXSA-N 0 0 428.679 6.948 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000409164430 556979018 /nfs/dbraw/zinc/97/90/18/556979018.db2.gz IKHIGQBCSFOTBY-AGKHESDQSA-N 0 0 428.679 6.948 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409155338 556979399 /nfs/dbraw/zinc/97/93/99/556979399.db2.gz PNTQJFVRXWSMLW-IIYDPXPESA-N 0 0 428.679 6.948 40 10 IKCBRN Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000409156396 556979891 /nfs/dbraw/zinc/97/98/91/556979891.db2.gz NQISHTXTDGPYNQ-OHUGHZGNSA-N 0 0 448.429 7.568 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 ZINC000409166470 556980565 /nfs/dbraw/zinc/98/05/65/556980565.db2.gz 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IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000409172624 556986943 /nfs/dbraw/zinc/98/69/43/556986943.db2.gz DRSBWDLSVUKOQO-RNHFSVANSA-N 0 0 448.975 7.367 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180553 556989134 /nfs/dbraw/zinc/98/91/34/556989134.db2.gz ZPRMDTHAHAEVPE-VGOFMYFVSA-N 0 0 428.735 5.647 40 10 IKCBRN O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409193458 556992895 /nfs/dbraw/zinc/99/28/95/556992895.db2.gz DBAGXFKXOFIYQW-LDADJPATSA-N 0 0 445.407 5.455 40 10 IKCBRN Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409176248 556993563 /nfs/dbraw/zinc/99/35/63/556993563.db2.gz ZEEWUFXYZKASPQ-SLSDLSHTSA-N 0 0 448.429 7.568 40 10 IKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409197537 556994947 /nfs/dbraw/zinc/99/49/47/556994947.db2.gz ICCAVVXNTRROND-NCUBORBFSA-N 0 0 448.407 6.032 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1OCC ZINC000409198022 556995327 /nfs/dbraw/zinc/99/53/27/556995327.db2.gz UVONHPANYVPDCG-GZTJUZNOSA-N 0 0 436.986 5.093 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)c[nH]c21 ZINC000409206621 556996166 /nfs/dbraw/zinc/99/61/66/556996166.db2.gz YRBHDQPKWKLIBV-MFOYZWKCSA-N 0 0 443.391 5.899 40 10 IKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000409207126 556996418 /nfs/dbraw/zinc/99/64/18/556996418.db2.gz SCZOROBNUXPEIL-FYJGNVAPSA-N 0 0 438.549 5.360 40 10 IKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409207632 556996751 /nfs/dbraw/zinc/99/67/51/556996751.db2.gz ZBSNZBQMMBMFSQ-ZDLGFXPLSA-N 0 0 448.407 5.890 40 10 IKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)c2ccccc21 ZINC000409203078 557002104 /nfs/dbraw/zinc/00/21/04/557002104.db2.gz WECXQWHIOSARRR-XIEYBQDHSA-N 0 0 438.527 5.636 40 10 IKCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409204511 557003055 /nfs/dbraw/zinc/00/30/55/557003055.db2.gz HOPMIESLQZZGQG-FHXOWUIVSA-N 0 0 448.407 6.032 40 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5.382 40 10 IKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 ZINC000103917971 557140753 /nfs/dbraw/zinc/14/07/53/557140753.db2.gz SZGJFXDCGRUJEH-QNGOZBTKSA-N 0 0 431.964 5.638 40 10 IKCBRN CC(C)N(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C ZINC000408734730 557142414 /nfs/dbraw/zinc/14/24/14/557142414.db2.gz CQQHJYOANCWQCT-UHFFFAOYSA-N 0 0 439.584 6.872 40 10 IKCBRN O=C(Nc1ccc(F)cc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408734722 557142418 /nfs/dbraw/zinc/14/24/18/557142418.db2.gz CJCRMZYSMIEYRO-UHFFFAOYSA-N 0 0 432.458 6.873 40 10 IKCBRN O=C(NCCC1=CCCCC1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735584 557142948 /nfs/dbraw/zinc/14/29/48/557142948.db2.gz TWTKFWPIURDFAL-UHFFFAOYSA-N 0 0 446.554 7.101 40 10 IKCBRN C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OC4CSC4)cc3)[C@H]2C1 ZINC000408736024 557143515 /nfs/dbraw/zinc/14/35/15/557143515.db2.gz AOHABGZPXZZKMK-DXBVXKBHSA-N 0 0 427.569 6.800 40 10 IKCBRN CC(C)Oc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736104 557143644 /nfs/dbraw/zinc/14/36/44/557143644.db2.gz FLPZCUGFXYONJY-LQWHRVPQSA-N 0 0 431.317 5.905 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736229 557143936 /nfs/dbraw/zinc/14/39/36/557143936.db2.gz MPOYPYXOGUIMSL-FHSNZYRGSA-N 0 0 425.153 6.591 40 10 IKCBRN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc43)cc1)N2 ZINC000408736174 557143954 /nfs/dbraw/zinc/14/39/54/557143954.db2.gz JLRAEWKNIBCVPD-ALTZYDRJSA-N 0 0 437.970 7.899 40 10 IKCBRN COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000408736449 557144185 /nfs/dbraw/zinc/14/41/85/557144185.db2.gz TXZJYCMRNNXUPM-TYILLQQXSA-N 0 0 448.260 5.035 40 10 IKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000408736431 557144224 /nfs/dbraw/zinc/14/42/24/557144224.db2.gz SINRUTIKNRNONE-QENPMARHSA-N 0 0 442.309 5.181 40 10 IKCBRN O=C(Oc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000408736662 557144472 /nfs/dbraw/zinc/14/44/72/557144472.db2.gz ZOWMNWNCZWSMHW-MSYCTHLASA-N 0 0 436.338 7.039 40 10 IKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736638 557144518 /nfs/dbraw/zinc/14/45/18/557144518.db2.gz YKIDYZKUYGNQJO-SLSDLSHTSA-N 0 0 445.946 6.532 40 10 IKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 ZINC000408737624 557145000 /nfs/dbraw/zinc/14/50/00/557145000.db2.gz FCBSAHFUNZVXNY-CAPFRKAQSA-N 0 0 445.360 5.986 40 10 IKCBRN COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000006136520 557146166 /nfs/dbraw/zinc/14/61/66/557146166.db2.gz HZYMXLLRPKVOHI-AUSJPIAWSA-N 0 0 433.289 5.135 40 10 IKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1 ZINC000408739097 557146946 /nfs/dbraw/zinc/14/69/46/557146946.db2.gz TVQVQBYYMSNVNI-QGOAFFKASA-N 0 0 436.736 6.574 40 10 IKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1 ZINC000408739263 557147418 /nfs/dbraw/zinc/14/74/18/557147418.db2.gz UVBROUOCTSQWTN-CAPFRKAQSA-N 0 0 446.344 6.319 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408743757 557148680 /nfs/dbraw/zinc/14/86/80/557148680.db2.gz UXVMAMVTSVPJIX-FYJGNVAPSA-N 0 0 443.455 5.472 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000408740595 557149054 /nfs/dbraw/zinc/14/90/54/557149054.db2.gz CIMUDPDCOLUGLZ-KGENOOAVSA-N 0 0 432.903 6.299 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000408740698 557149062 /nfs/dbraw/zinc/14/90/62/557149062.db2.gz DJENUYGCVGCYTC-HYARGMPZSA-N 0 0 430.475 6.093 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000408741010 557149500 /nfs/dbraw/zinc/14/95/00/557149500.db2.gz GJXOSMPBIRJPAG-HYARGMPZSA-N 0 0 446.930 6.607 40 10 IKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408742833 557150701 /nfs/dbraw/zinc/15/07/01/557150701.db2.gz QALYNCSHJZVPPS-ZROIWOOFSA-N 0 0 428.227 6.143 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000006292425 557150739 /nfs/dbraw/zinc/15/07/39/557150739.db2.gz QUBLTLNFWVSHCQ-SGIRGMQISA-N 0 0 432.545 5.323 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 ZINC000106707885 557158264 /nfs/dbraw/zinc/15/82/64/557158264.db2.gz XYORHWJNYVOQLC-UCQKPKSFSA-N 0 0 432.545 5.648 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1 ZINC000408751621 557160103 /nfs/dbraw/zinc/16/01/03/557160103.db2.gz ANSSARIFDYYDTD-HYARGMPZSA-N 0 0 432.907 5.500 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)cc1 ZINC000408751986 557160392 /nfs/dbraw/zinc/16/03/92/557160392.db2.gz AYTRGQVHZYXPDJ-CIAFOILYSA-N 0 0 425.290 6.275 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000408752501 557160647 /nfs/dbraw/zinc/16/06/47/557160647.db2.gz AZPGTUXNSKFUQF-HKWRFOASSA-N 0 0 444.918 5.778 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408752443 557160708 /nfs/dbraw/zinc/16/07/08/557160708.db2.gz APJGOFIVLACKPR-KGENOOAVSA-N 0 0 445.946 6.445 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408752752 557161620 /nfs/dbraw/zinc/16/16/20/557161620.db2.gz GPEHMVYANLRJDU-LFVJCYFKSA-N 0 0 426.878 6.467 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408752802 557162408 /nfs/dbraw/zinc/16/24/08/557162408.db2.gz CJLJNYDUASUVPR-FYJGNVAPSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 ZINC000408753840 557165225 /nfs/dbraw/zinc/16/52/25/557165225.db2.gz KQFCGODJPVQZRI-XMHGGMMESA-N 0 0 432.907 6.528 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2cccc(C)c2)cc1 ZINC000408754712 557166667 /nfs/dbraw/zinc/16/66/67/557166667.db2.gz HCZYININOHHGOW-XQNSMLJCSA-N 0 0 442.515 5.245 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(OC)cc2)cc1 ZINC000408754774 557167082 /nfs/dbraw/zinc/16/70/82/557167082.db2.gz RNXMEYDPZHVIBI-ZXVVBBHZSA-N 0 0 448.522 6.082 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408755232 557167410 /nfs/dbraw/zinc/16/74/10/557167410.db2.gz IUDMICSOXFDGHU-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)cc1 ZINC000408755479 557167820 /nfs/dbraw/zinc/16/78/20/557167820.db2.gz NXQXADLPUQSNMN-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(C)c3)C2=O)cc1OC ZINC000408755719 557167835 /nfs/dbraw/zinc/16/78/35/557167835.db2.gz MNGQBBCSOVQIAO-CPNJWEJPSA-N 0 0 449.909 6.276 40 10 IKCBRN Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)C(=O)O3)ccc2c1 ZINC000408757203 557169385 /nfs/dbraw/zinc/16/93/85/557169385.db2.gz VZAAWMYAHAJNDR-UNOMPAQXSA-N 0 0 447.317 7.696 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(O)cc1 ZINC000408756892 557169464 /nfs/dbraw/zinc/16/94/64/557169464.db2.gz YAWIRNNECCLRLF-DEDYPNTBSA-N 0 0 437.268 5.128 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408757293 557169476 /nfs/dbraw/zinc/16/94/76/557169476.db2.gz YEKJUYHGQIXHKU-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408757782 557169987 /nfs/dbraw/zinc/16/99/87/557169987.db2.gz BYQWOMDLBYCIRN-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 ZINC000408757679 557169992 /nfs/dbraw/zinc/16/99/92/557169992.db2.gz BNNDUBTZKMOJHH-LDADJPATSA-N 0 0 427.298 5.484 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C ZINC000008674144 557170340 /nfs/dbraw/zinc/17/03/40/557170340.db2.gz SHAOQNRSKRYIJH-PPJWLVRDSA-N 0 0 448.563 6.070 40 10 aggregator IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 ZINC000408756141 557174525 /nfs/dbraw/zinc/17/45/25/557174525.db2.gz UBXFPJRAOYNJLE-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 ZINC000408760997 557174893 /nfs/dbraw/zinc/17/48/93/557174893.db2.gz BNLUDSXHWCSXTR-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218000141 557175092 /nfs/dbraw/zinc/17/50/92/557175092.db2.gz SWLZAWGKHKYDOC-JOCHJYFZSA-N 0 0 444.644 6.706 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)c1 ZINC000408761709 557176011 /nfs/dbraw/zinc/17/60/11/557176011.db2.gz GXHVEYUJFHEGTD-CIAFOILYSA-N 0 0 425.290 6.275 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(F)cc1 ZINC000408762330 557176653 /nfs/dbraw/zinc/17/66/53/557176653.db2.gz OCNQQGHQNHWNLY-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2cccc(C)c2)C1=O ZINC000408762656 557177353 /nfs/dbraw/zinc/17/73/53/557177353.db2.gz PZKJBJBFPCXEDE-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3O)C2=O)cc1OC ZINC000408762703 557177368 /nfs/dbraw/zinc/17/73/68/557177368.db2.gz FTMRDMFZTFRINL-QGOAFFKASA-N 0 0 433.891 5.534 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 ZINC000408763489 557180000 /nfs/dbraw/zinc/18/00/00/557180000.db2.gz PFGFJRIXKTUBSW-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3OC)C2=O)cc1OC ZINC000408763559 557180996 /nfs/dbraw/zinc/18/09/96/557180996.db2.gz GBTFMFVNQFIVIL-XMHGGMMESA-N 0 0 447.918 5.837 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1 ZINC000408763935 557181794 /nfs/dbraw/zinc/18/17/94/557181794.db2.gz GNTFUNOMTPJLLZ-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000218203161 557181871 /nfs/dbraw/zinc/18/18/71/557181871.db2.gz KSCYXYIAVNJZDZ-KRWDZBQOSA-N 0 0 435.008 5.826 40 10 IKCBRN C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218213396 557182425 /nfs/dbraw/zinc/18/24/25/557182425.db2.gz XKJJIUZDZGKLDN-MRXNPFEDSA-N 0 0 448.348 5.019 40 10 IKCBRN C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218213596 557182438 /nfs/dbraw/zinc/18/24/38/557182438.db2.gz UHWIKXVNPAZDEO-HZPDHXFCSA-N 0 0 448.348 5.019 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408764937 557182806 /nfs/dbraw/zinc/18/28/06/557182806.db2.gz UIKHGKKUDKQPOV-JXAWBTAJSA-N 0 0 432.863 5.728 40 10 IKCBRN O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1c1ccccc1 ZINC000009310582 557186433 /nfs/dbraw/zinc/18/64/33/557186433.db2.gz LNLRBKVBBMEXNB-LDADJPATSA-N 0 0 447.459 6.251 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408765535 557187657 /nfs/dbraw/zinc/18/76/57/557187657.db2.gz LWTAPVHEWHBRDW-XQNSMLJCSA-N 0 0 431.923 5.249 40 10 IKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408765637 557188328 /nfs/dbraw/zinc/18/83/28/557188328.db2.gz MUQKWPOBLQKBTB-PXLXIMEGSA-N 0 0 436.342 5.894 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000408766171 557188629 /nfs/dbraw/zinc/18/86/29/557188629.db2.gz ZXBDMZGKCYJMJL-RGVLZGJSSA-N 0 0 427.262 5.673 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408765808 557188734 /nfs/dbraw/zinc/18/87/34/557188734.db2.gz QMESJCKZPCDRJK-UDWIEESQSA-N 0 0 427.718 6.481 40 10 IKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408767387 557189286 /nfs/dbraw/zinc/18/92/86/557189286.db2.gz WMYIEGNMQYXSIT-LDADJPATSA-N 0 0 427.685 5.530 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000408767683 557189742 /nfs/dbraw/zinc/18/97/42/557189742.db2.gz ZYJANDZNXWLPJN-YBFXNURJSA-N 0 0 447.288 5.012 40 10 IKCBRN O=C1NC(=S)S/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408768597 557193253 /nfs/dbraw/zinc/19/32/53/557193253.db2.gz YTWVJYMAUYKNHP-WOJGMQOQSA-N 0 0 431.007 5.576 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 ZINC000408768739 557193889 /nfs/dbraw/zinc/19/38/89/557193889.db2.gz IRFHHEJPPYQDSV-YMSBRDKKSA-N 0 0 437.996 5.910 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408769350 557194219 /nfs/dbraw/zinc/19/42/19/557194219.db2.gz RTXBGILRIJUJTK-DEDYPNTBSA-N 0 0 441.443 5.591 40 10 IKCBRN O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010113497 557205766 /nfs/dbraw/zinc/20/57/66/557205766.db2.gz SUJNENLUZAUDBT-XIEYBQDHSA-N 0 0 427.504 5.052 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 ZINC000408787386 557205983 /nfs/dbraw/zinc/20/59/83/557205983.db2.gz ZEWZJQZNMKTYDL-SJJVXOANSA-N 0 0 446.620 5.322 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OCC ZINC000408787488 557206321 /nfs/dbraw/zinc/20/63/21/557206321.db2.gz AVKHSXBLQORAKV-PSRBBBRCSA-N 0 0 449.547 5.308 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc3ccccc32)cc1 ZINC000408783460 557207048 /nfs/dbraw/zinc/20/70/48/557207048.db2.gz PITNYAKSLAWEOH-HAVVHWLPSA-N 0 0 432.479 6.528 40 10 IKCBRN CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000110422813 557210865 /nfs/dbraw/zinc/21/08/65/557210865.db2.gz VVXGBWYFTUJYOY-KEBDBYFISA-N 0 0 440.634 5.259 40 10 IKCBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 ZINC000408799085 557212710 /nfs/dbraw/zinc/21/27/10/557212710.db2.gz GTGIPVCQDHMDED-UHFFFAOYSA-N 0 0 438.960 5.519 40 10 IKCBRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl ZINC000218713297 557213295 /nfs/dbraw/zinc/21/32/95/557213295.db2.gz OIYLJGYKYMYUBH-PMACEKPBSA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br ZINC000218828909 557217529 /nfs/dbraw/zinc/21/75/29/557217529.db2.gz WUTIBJCFISAVJT-SJLPKXTDSA-N 0 0 445.401 5.250 40 10 IKCBRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br ZINC000218828736 557217691 /nfs/dbraw/zinc/21/76/91/557217691.db2.gz DEMPXIJIZANHER-GOSISDBHSA-N 0 0 445.401 5.250 40 10 IKCBRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218978939 557221846 /nfs/dbraw/zinc/22/18/46/557221846.db2.gz JCBZEQJWAKMBFZ-JOCHJYFZSA-N 0 0 428.576 5.993 40 10 IKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408813383 557223577 /nfs/dbraw/zinc/22/35/77/557223577.db2.gz QSUKSCNSRPWUGD-NVNXTCNLSA-N 0 0 426.346 5.070 40 10 IKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219338666 557237990 /nfs/dbraw/zinc/23/79/90/557237990.db2.gz JQOKOQILDZDYOK-SWYRRKHMSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219348964 557238439 /nfs/dbraw/zinc/23/84/39/557238439.db2.gz RRYOIKZGHJMDCU-IDISGSTGSA-N 0 0 430.592 6.111 40 10 IKCBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219349263 557238627 /nfs/dbraw/zinc/23/86/27/557238627.db2.gz RPSBPPSUFWMDRP-BUEREQSYSA-N 0 0 430.592 6.111 40 10 IKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(C)=NN(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000112291561 557238849 /nfs/dbraw/zinc/23/88/49/557238849.db2.gz HSZNNCSEOSGNPL-UQQQWYQISA-N 0 0 442.519 5.556 40 10 IKCBRN CC(NCCSc1ccc(C)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112290231 557238899 /nfs/dbraw/zinc/23/88/99/557238899.db2.gz SGPOALVJZKTPMF-GFMRDNFCSA-N 0 0 427.573 5.402 40 10 IKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccccc3Cl)C2=O)cc1 ZINC000112293624 557239692 /nfs/dbraw/zinc/23/96/92/557239692.db2.gz CWXFKNIUDKCWAZ-QJOMJCCJSA-N 0 0 431.923 5.163 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 ZINC000408840224 557261509 /nfs/dbraw/zinc/26/15/09/557261509.db2.gz CNJSWEOLGMXURV-UDWIEESQSA-N 0 0 441.289 5.976 40 10 IKCBRN Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408840648 557261888 /nfs/dbraw/zinc/26/18/88/557261888.db2.gz DUGRTONIEAOHNM-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219688112 557262395 /nfs/dbraw/zinc/26/23/95/557262395.db2.gz KVDQUWPIFUEWLM-ZWKOTPCHSA-N 0 0 445.401 5.330 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000408842560 557262510 /nfs/dbraw/zinc/26/25/10/557262510.db2.gz OPOLICHRMCPLGB-XMHGGMMESA-N 0 0 448.276 5.192 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Br)cc2)N1c1ccccc1 ZINC000408841567 557262532 /nfs/dbraw/zinc/26/25/32/557262532.db2.gz JVFLCLAYICYEDU-XSFVSMFZSA-N 0 0 448.276 5.192 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408844036 557263446 /nfs/dbraw/zinc/26/34/46/557263446.db2.gz OIBKOZOYYHKCMJ-PXLXIMEGSA-N 0 0 447.332 5.601 40 10 IKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408842673 557264131 /nfs/dbraw/zinc/26/41/31/557264131.db2.gz PNPQAEOGAOASHG-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Cl)cc1 ZINC000408843427 557264720 /nfs/dbraw/zinc/26/47/20/557264720.db2.gz MPKWAJFFQURGJG-RCCKNPSSSA-N 0 0 447.878 5.481 40 10 IKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1cccc(C)c1 ZINC000408844751 557265552 /nfs/dbraw/zinc/26/55/52/557265552.db2.gz PGSJHSFLPJOTOX-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219843438 557270002 /nfs/dbraw/zinc/27/00/02/557270002.db2.gz ZDCXXZSSBRPQSF-UHFFFAOYSA-N 0 0 434.967 5.839 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2OC)cc1 ZINC000408846731 557270958 /nfs/dbraw/zinc/27/09/58/557270958.db2.gz YUFFVBAZEMZXDN-CJLVFECKSA-N 0 0 432.907 5.582 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408847951 557271937 /nfs/dbraw/zinc/27/19/37/557271937.db2.gz WBGIIPYJGFCJBD-RCCKNPSSSA-N 0 0 433.305 5.292 40 10 IKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000013025247 557274349 /nfs/dbraw/zinc/27/43/49/557274349.db2.gz ALQFJHQEHCGVAJ-RUZDIDTESA-N 0 0 445.563 5.101 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000100879392 557277676 /nfs/dbraw/zinc/27/76/76/557277676.db2.gz QHQOVYYHJFXHTE-KGENOOAVSA-N 0 0 447.878 5.633 40 10 IKCBRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830730 557306907 /nfs/dbraw/zinc/30/69/07/557306907.db2.gz XDIDKISDOCNNQO-CAOOACKPSA-N 0 0 440.373 5.412 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl ZINC000113834442 557307571 /nfs/dbraw/zinc/30/75/71/557307571.db2.gz SLMDHZAQXROXSY-YBFXNURJSA-N 0 0 446.380 6.968 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113835276 557307598 /nfs/dbraw/zinc/30/75/98/557307598.db2.gz FNUZNWDCHABPIM-RGVLZGJSSA-N 0 0 443.355 6.642 40 10 IKCBRN O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C1CCCCC1 ZINC000113834154 557307628 /nfs/dbraw/zinc/30/76/28/557307628.db2.gz WECQHNDXYNSCNY-HZHRSRAPSA-N 0 0 432.614 6.224 40 10 IKCBRN CN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000113838568 557307843 /nfs/dbraw/zinc/30/78/43/557307843.db2.gz WNILVXAUDMZUQN-GIJQJNRQSA-N 0 0 433.385 5.827 40 10 IKCBRN O=C1c2ccccc2C(=O)[C@H]2[C@H]1[C@H](c1ccccc1)N(c1ccccc1)[C@@H]2c1ccccc1 ZINC000103952320 557318871 /nfs/dbraw/zinc/31/88/71/557318871.db2.gz FPPDSNPJQKKTIP-LAJGZZDBSA-N 0 0 429.519 6.301 40 10 IKCBRN Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000033391811 557320712 /nfs/dbraw/zinc/32/07/12/557320712.db2.gz OMZJWLWVOMRWKW-JCMHNJIXSA-N 0 0 441.618 5.797 40 10 IKCBRN NC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000104115291 557320803 /nfs/dbraw/zinc/32/08/03/557320803.db2.gz RSLXOBKJXMSGHP-IZHYLOQSSA-N 0 0 428.477 5.632 40 10 IKCBRN COc1cc(/N=N\c2c[nH]c3ccccc23)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000104219946 557322443 /nfs/dbraw/zinc/32/24/43/557322443.db2.gz QBIHSRMOMHUBMR-DYORGOFNSA-N 0 0 430.424 6.924 40 10 IKCBRN Nc1ccc(/N=N/c2ccc3cc4ccc(/N=N\c5ccc(N)nc5N)cc4nc3c2)c(N)n1 ZINC000104230281 557322788 /nfs/dbraw/zinc/32/27/88/557322788.db2.gz RKDJPLAXPITDOD-IUQQBYGBSA-N 0 0 449.482 5.338 40 10 IKCBRN Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C)C(C)C)c(C)n1-c1ccccc1 ZINC000222556264 557351240 /nfs/dbraw/zinc/35/12/40/557351240.db2.gz JHEVDVKFYJVNCS-UHFFFAOYSA-N 0 0 434.971 5.685 40 10 IKCBRN Cc1cc(CN(C(=O)c2ccc3nc(Cl)n(C)c3c2)C(C)C)c(C)n1-c1ccccc1 ZINC000222556357 557351288 /nfs/dbraw/zinc/35/12/88/557351288.db2.gz NQRUDVRPNKSSPZ-UHFFFAOYSA-N 0 0 434.971 5.685 40 10 IKCBRN C[C@@H](/N=N/c1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 ZINC000013590282 557356393 /nfs/dbraw/zinc/35/63/93/557356393.db2.gz ZWWNOSDBXWVQHM-NWKGHFSSSA-N 0 0 444.560 6.143 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc21 ZINC000222610582 557361528 /nfs/dbraw/zinc/36/15/28/557361528.db2.gz LZXJBZYRQQTJJP-IMDCKVJKSA-N 0 0 438.600 6.232 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc21 ZINC000222610649 557361535 /nfs/dbraw/zinc/36/15/35/557361535.db2.gz LZXJBZYRQQTJJP-LGIRGXTLSA-N 0 0 438.600 6.232 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000222620007 557363215 /nfs/dbraw/zinc/36/32/15/557363215.db2.gz JLYLNPTXAPLXNM-GMWOSMDTSA-N 0 0 437.012 6.040 40 10 IKCBRN C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222694998 557374820 /nfs/dbraw/zinc/37/48/20/557374820.db2.gz SGHQTZPQPKBVQR-RTBURBONSA-N 0 0 431.045 6.326 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 ZINC000222696266 557375163 /nfs/dbraw/zinc/37/51/63/557375163.db2.gz UDGOQJBMROSJDX-YNJKOYDBSA-N 0 0 430.621 6.031 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 ZINC000222696150 557375198 /nfs/dbraw/zinc/37/51/98/557375198.db2.gz UDGOQJBMROSJDX-ZPZUNKDASA-N 0 0 430.621 6.031 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 ZINC000222697616 557375423 /nfs/dbraw/zinc/37/54/23/557375423.db2.gz SKTZDCCDOILRJT-CDNPAEQRSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 ZINC000222697717 557375544 /nfs/dbraw/zinc/37/55/44/557375544.db2.gz WCLYWWIYNIMQKJ-YFXJRYMSSA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222699525 557375809 /nfs/dbraw/zinc/37/58/09/557375809.db2.gz MMCNJHRNFCOQIE-DQMJNTIXSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222699461 557375813 /nfs/dbraw/zinc/37/58/13/557375813.db2.gz MMCNJHRNFCOQIE-GKVQRAMASA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 ZINC000222700521 557375879 /nfs/dbraw/zinc/37/58/79/557375879.db2.gz UHOYKPULZNYVTL-DCEDVJGZSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 ZINC000222701073 557376151 /nfs/dbraw/zinc/37/61/51/557376151.db2.gz QSCSLAKOKQHGPC-JHMXWDHMSA-N 0 0 430.621 6.085 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000222737839 557381481 /nfs/dbraw/zinc/38/14/81/557381481.db2.gz CPPPPYHVMOMXQF-UXHICEINSA-N 0 0 430.499 5.110 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000222743813 557381803 /nfs/dbraw/zinc/38/18/03/557381803.db2.gz CQOMGKGCLIZZDN-VQTJNVASSA-N 0 0 431.392 5.398 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000222743757 557381873 /nfs/dbraw/zinc/38/18/73/557381873.db2.gz CQOMGKGCLIZZDN-UXHICEINSA-N 0 0 431.392 5.398 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000222743404 557381902 /nfs/dbraw/zinc/38/19/02/557381902.db2.gz YEUTZILAQZPLOZ-WOJBJXKFSA-N 0 0 431.392 5.398 40 10 IKCBRN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cccc(I)c1)N2 ZINC000013633835 557383840 /nfs/dbraw/zinc/38/38/40/557383840.db2.gz MDCQSQMXDAJHKA-IBGZPJMESA-N 0 0 435.349 6.389 40 10 IKCBRN COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639429 557384543 /nfs/dbraw/zinc/38/45/43/557384543.db2.gz QXNZFKVUXOSUBA-KNKQGSTJSA-N 0 0 441.369 5.042 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000222772343 557385103 /nfs/dbraw/zinc/38/51/03/557385103.db2.gz ZAPCYLMJHUUDAN-RTWAWAEBSA-N 0 0 427.017 5.359 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000222770640 557385110 /nfs/dbraw/zinc/38/51/10/557385110.db2.gz JBLBHNZIQDQURV-LEWJYISDSA-N 0 0 444.526 5.500 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222781026 557386523 /nfs/dbraw/zinc/38/65/23/557386523.db2.gz BLIWCGSLZYVJJJ-DQEYMECFSA-N 0 0 426.589 5.635 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000222789094 557387102 /nfs/dbraw/zinc/38/71/02/557387102.db2.gz UCHRVOURDFNBRV-NHCUHLMSSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000222792207 557387317 /nfs/dbraw/zinc/38/73/17/557387317.db2.gz SYGLZJGBMQNHRR-YADHBBJMSA-N 0 0 441.000 5.144 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222791725 557387322 /nfs/dbraw/zinc/38/73/22/557387322.db2.gz XDCSIVILOGXIOD-FCHUYYIVSA-N 0 0 425.001 5.443 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O ZINC000222821522 557390426 /nfs/dbraw/zinc/39/04/26/557390426.db2.gz AFPJGWPMWMOHOB-FGZHOGPDSA-N 0 0 441.000 5.229 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222829464 557391033 /nfs/dbraw/zinc/39/10/33/557391033.db2.gz KPVLCQJOJVBJDR-FGZHOGPDSA-N 0 0 425.001 5.523 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1C ZINC000222836226 557391909 /nfs/dbraw/zinc/39/19/09/557391909.db2.gz QPCOZQDALRCEIH-PKTZIBPZSA-N 0 0 439.028 5.832 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222866521 557396138 /nfs/dbraw/zinc/39/61/38/557396138.db2.gz LHDLFFPUQOYBFD-FCHUYYIVSA-N 0 0 441.000 5.231 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222870678 557396351 /nfs/dbraw/zinc/39/63/51/557396351.db2.gz GRVUQCXBCDRMRR-FTJBHMTQSA-N 0 0 440.616 6.025 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222870619 557396373 /nfs/dbraw/zinc/39/63/73/557396373.db2.gz GRVUQCXBCDRMRR-UIOOFZCWSA-N 0 0 440.616 6.025 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222874708 557396658 /nfs/dbraw/zinc/39/66/58/557396658.db2.gz HEQCWEIEJSUSGD-FCHUYYIVSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222874500 557396736 /nfs/dbraw/zinc/39/67/36/557396736.db2.gz KMEGLCMXMUVWBD-FGZHOGPDSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222880718 557397414 /nfs/dbraw/zinc/39/74/14/557397414.db2.gz OLSNNKKXQDERNI-XZOQPEGZSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000222882548 557397739 /nfs/dbraw/zinc/39/77/39/557397739.db2.gz QFKJZBUFAPJUTG-ZCYQVOJMSA-N 0 0 432.637 5.742 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl ZINC000222919783 557402571 /nfs/dbraw/zinc/40/25/71/557402571.db2.gz UNUAQIFMQZJBMG-PKTZIBPZSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000222920400 557402845 /nfs/dbraw/zinc/40/28/45/557402845.db2.gz JABHMNBXAWXYLW-GOTSBHOMSA-N 0 0 439.028 5.771 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000222920102 557402940 /nfs/dbraw/zinc/40/29/40/557402940.db2.gz WLAWGPRPRFPDFT-XZOQPEGZSA-N 0 0 439.028 5.771 40 10 IKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222922212 557403125 /nfs/dbraw/zinc/40/31/25/557403125.db2.gz GFLQYFPKNIFGFL-BJKOFHAPSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222923126 557403380 /nfs/dbraw/zinc/40/33/80/557403380.db2.gz ZZUCHADNVQAHLC-JWQCQUIFSA-N 0 0 447.652 5.184 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000222924905 557403534 /nfs/dbraw/zinc/40/35/34/557403534.db2.gz ZSZJRTLNRFRRNO-JWQCQUIFSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222925598 557403855 /nfs/dbraw/zinc/40/38/55/557403855.db2.gz GYRSQYSLQWCBQC-AHWVRZQESA-N 0 0 446.664 6.043 40 10 IKCBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222937730 557405595 /nfs/dbraw/zinc/40/55/95/557405595.db2.gz PNZIDHDSCUSQIB-LVXARBLLSA-N 0 0 436.640 6.255 40 10 IKCBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222937955 557405610 /nfs/dbraw/zinc/40/56/10/557405610.db2.gz NVMZVYUVPLPGQB-YZIHRLCOSA-N 0 0 436.640 6.255 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C ZINC000222963431 557408750 /nfs/dbraw/zinc/40/87/50/557408750.db2.gz GMEZPMAWOOFOPK-DQEYMECFSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222966560 557409005 /nfs/dbraw/zinc/40/90/05/557409005.db2.gz BHADTTMYQOCMRW-ZEQRLZLVSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222967991 557409205 /nfs/dbraw/zinc/40/92/05/557409205.db2.gz AVSQYBMEYWGOKI-JWQCQUIFSA-N 0 0 447.652 5.328 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222967824 557409289 /nfs/dbraw/zinc/40/92/89/557409289.db2.gz AVSQYBMEYWGOKI-DQEYMECFSA-N 0 0 447.652 5.328 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000222968907 557409508 /nfs/dbraw/zinc/40/95/08/557409508.db2.gz YMTHHKILMFZSBF-RPBOFIJWSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=N)S1 ZINC000033619140 557422249 /nfs/dbraw/zinc/42/22/49/557422249.db2.gz CTMOWMGLAVFBDG-VHDUERLVSA-N 0 0 447.608 5.856 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223058622 557422919 /nfs/dbraw/zinc/42/29/19/557422919.db2.gz YCMJVWMXFOYGJA-RPBOFIJWSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223058251 557422925 /nfs/dbraw/zinc/42/29/25/557422925.db2.gz KYFXBLBAPWNTFU-JWQCQUIFSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223058438 557422948 /nfs/dbraw/zinc/42/29/48/557422948.db2.gz VTLGRSSVIXCKKW-UKILVPOCSA-N 0 0 448.636 5.115 40 10 IKCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223057807 557422956 /nfs/dbraw/zinc/42/29/56/557422956.db2.gz GAUPMXMJDAVCKZ-DQEYMECFSA-N 0 0 448.636 5.115 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 ZINC000223094421 557430376 /nfs/dbraw/zinc/43/03/76/557430376.db2.gz HPTLWIODRHCZHX-DQEYMECFSA-N 0 0 430.621 5.794 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000223094964 557430614 /nfs/dbraw/zinc/43/06/14/557430614.db2.gz MHDHBDSZEYPDMJ-UIOOFZCWSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 ZINC000223098621 557431283 /nfs/dbraw/zinc/43/12/83/557431283.db2.gz DUJQZZHGHMYLLC-JWQCQUIFSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(C)ccn1 ZINC000223104922 557431827 /nfs/dbraw/zinc/43/18/27/557431827.db2.gz VKMBHDFUDVGLEW-LOSJGSFVSA-N 0 0 445.636 5.498 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223121141 557434400 /nfs/dbraw/zinc/43/44/00/557434400.db2.gz QTTFCDPUDXDGOA-LOSJGSFVSA-N 0 0 446.620 5.495 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Br ZINC000014406606 557443818 /nfs/dbraw/zinc/44/38/18/557443818.db2.gz LJKCDEMAFIHYFD-UYRXBGFRSA-N 0 0 440.337 5.333 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000223192515 557443929 /nfs/dbraw/zinc/44/39/29/557443929.db2.gz ATINVWDSHLWTIR-XIEYBQDHSA-N 0 0 429.520 5.298 40 10 IKCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000014414981 557445869 /nfs/dbraw/zinc/44/58/69/557445869.db2.gz AWIACGQZTSEUAD-AQTBWJFISA-N 0 0 430.331 5.299 40 10 IKCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000014415095 557446659 /nfs/dbraw/zinc/44/66/59/557446659.db2.gz HJPCURKNTGXDQA-JXAWBTAJSA-N 0 0 430.331 5.299 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000014470777 557446914 /nfs/dbraw/zinc/44/69/14/557446914.db2.gz RIKOIBZBXNCHGC-YMNVWFMLSA-N 0 0 430.118 7.035 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1Cl ZINC000014476903 557446969 /nfs/dbraw/zinc/44/69/69/557446969.db2.gz NUOIGBKNJVBSHK-OAVHHTNSSA-N 0 0 442.127 6.425 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 ZINC000015012167 557456788 /nfs/dbraw/zinc/45/67/88/557456788.db2.gz LCXHQOWSMXMULZ-HYARGMPZSA-N 0 0 435.545 5.806 40 10 IKCBRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000223307263 557457432 /nfs/dbraw/zinc/45/74/32/557457432.db2.gz PRGBOYHSSURDOK-QGZVFWFLSA-N 0 0 435.008 5.826 40 10 IKCBRN O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000169616525 557460591 /nfs/dbraw/zinc/46/05/91/557460591.db2.gz JMZLFTVBMPZFSD-ZSXPUABSSA-N 0 0 445.946 5.533 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1 ZINC000223342839 557460603 /nfs/dbraw/zinc/46/06/03/557460603.db2.gz CDLNDWHECDNLQC-DNQXCXABSA-N 0 0 428.561 5.255 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F ZINC000223344626 557460846 /nfs/dbraw/zinc/46/08/46/557460846.db2.gz IXOZCEQGNHPEOB-DNQXCXABSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000223381863 557465327 /nfs/dbraw/zinc/46/53/27/557465327.db2.gz MCASXGAVHNWGTP-IZZNHLLZSA-N 0 0 438.600 5.662 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000223381804 557465373 /nfs/dbraw/zinc/46/53/73/557465373.db2.gz MCASXGAVHNWGTP-FTJBHMTQSA-N 0 0 438.600 5.662 40 10 IKCBRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223393254 557466087 /nfs/dbraw/zinc/46/60/87/557466087.db2.gz AIMDWSKCMZQSQB-IAGOWNOFSA-N 0 0 435.008 5.826 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000017086113 557476354 /nfs/dbraw/zinc/47/63/54/557476354.db2.gz AZDNPYINCXWKTF-LPYMAVHISA-N 0 0 437.326 6.379 40 10 IKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000017096487 557476635 /nfs/dbraw/zinc/47/66/35/557476635.db2.gz RJZRMCMMBJYHNB-ULJHMMPZSA-N 0 0 429.495 5.534 40 10 IKCBRN CC(NC1CCCCCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017097178 557478318 /nfs/dbraw/zinc/47/83/18/557478318.db2.gz LFJAOGCMMMDIOQ-XLNRJJMWSA-N 0 0 430.577 5.634 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 ZINC000223493489 557479263 /nfs/dbraw/zinc/47/92/63/557479263.db2.gz NJOJQDDCLSWSEZ-UCQKPKSFSA-N 0 0 432.589 6.333 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 ZINC000223493877 557479279 /nfs/dbraw/zinc/47/92/79/557479279.db2.gz NHBSSFBVHUHYPA-RPBOFIJWSA-N 0 0 439.588 5.057 40 10 IKCBRN CC(NCCc1c[nH]c2ccc(C)cc12)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017098998 557482042 /nfs/dbraw/zinc/48/20/42/557482042.db2.gz DKISXAXGMKGWKZ-QOMWVZHYSA-N 0 0 434.543 5.334 40 10 IKCBRN CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223540709 557483350 /nfs/dbraw/zinc/48/33/50/557483350.db2.gz QDZVGQAJGZDBJU-JHDSZEHQSA-N 0 0 437.971 5.545 40 10 IKCBRN CC(Nc1ccc(F)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017095841 557486970 /nfs/dbraw/zinc/48/69/70/557486970.db2.gz HCAFYTIRECEUBV-QNGOZBTKSA-N 0 0 428.492 5.572 40 10 IKCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223568332 557487078 /nfs/dbraw/zinc/48/70/78/557487078.db2.gz SWAPHRPZQHJYHT-JVMBGAFUSA-N 0 0 431.580 5.589 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000223581966 557488688 /nfs/dbraw/zinc/48/86/88/557488688.db2.gz IECDAROZXRSRDU-BXRKRMDBSA-N 0 0 444.597 5.095 40 10 IKCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583755 557488904 /nfs/dbraw/zinc/48/89/04/557488904.db2.gz HQXCQLPVHUHHKQ-YODDIOPGSA-N 0 0 444.597 5.095 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223584992 557488919 /nfs/dbraw/zinc/48/89/19/557488919.db2.gz SMYKHQZCDFLATG-PVFDWLMNSA-N 0 0 434.605 6.344 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586560 557489208 /nfs/dbraw/zinc/48/92/08/557489208.db2.gz ZYYZJOKDDXTJHD-RIWZNOJBSA-N 0 0 435.543 5.339 40 10 IKCBRN CC(NCCc1c[nH]c2ccc(F)cc12)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017102233 557490973 /nfs/dbraw/zinc/49/09/73/557490973.db2.gz SVQROYJMSGTHDG-BWAHOGKJSA-N 0 0 438.506 5.164 40 10 IKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017102623 557491265 /nfs/dbraw/zinc/49/12/65/557491265.db2.gz IAMZLDQRPKNXTE-QJOMJCCJSA-N 0 0 438.556 5.996 40 10 IKCBRN CC(Nc1ccccc1-c1ccccc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000019645946 557504921 /nfs/dbraw/zinc/50/49/21/557504921.db2.gz SLNHBPUVKBGVMP-OOAXWGSJSA-N 0 0 447.513 6.630 40 10 IKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccccc2Cl)cc1 ZINC000019646658 557505193 /nfs/dbraw/zinc/50/51/93/557505193.db2.gz REANNLZFROTZDY-KQWNVCNZSA-N 0 0 447.922 5.494 40 10 IKCBRN CC(Nc1cccc2ccccc21)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000019647154 557505368 /nfs/dbraw/zinc/50/53/68/557505368.db2.gz RCLHKMNUEFDHQZ-BWAHOGKJSA-N 0 0 448.482 5.885 40 10 IKCBRN CC(Nc1ccc(Cl)c(Cl)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000019631146 557506763 /nfs/dbraw/zinc/50/67/63/557506763.db2.gz FVIDOPMGVAPCMW-STZFKDTASA-N 0 0 440.305 6.270 40 10 IKCBRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc2c1 ZINC000223740893 557507735 /nfs/dbraw/zinc/50/77/35/557507735.db2.gz SOEOTUPBGICJPN-MOPGFXCFSA-N 0 0 438.593 5.124 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 ZINC000223878668 557524557 /nfs/dbraw/zinc/52/45/57/557524557.db2.gz WJLXYELDRCLEDC-DNQXCXABSA-N 0 0 426.545 5.063 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C ZINC000224163574 557569002 /nfs/dbraw/zinc/56/90/02/557569002.db2.gz BLUIHMSJZVTQRX-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C ZINC000224163628 557569008 /nfs/dbraw/zinc/56/90/08/557569008.db2.gz BLUIHMSJZVTQRX-IZZNHLLZSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F ZINC000224165092 557569376 /nfs/dbraw/zinc/56/93/76/557569376.db2.gz SJZHGTWELDGQCC-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000224165224 557569418 /nfs/dbraw/zinc/56/94/18/557569418.db2.gz WADNPAUUJKIUKX-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000224167326 557569659 /nfs/dbraw/zinc/56/96/59/557569659.db2.gz FAQHOVBRQSMSFX-RPBOFIJWSA-N 0 0 440.572 5.372 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ncccc1C ZINC000224173355 557570458 /nfs/dbraw/zinc/57/04/58/557570458.db2.gz GDWQXUNQNSZGPO-ZEQRLZLVSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000224195248 557573689 /nfs/dbraw/zinc/57/36/89/557573689.db2.gz AKYKFFWLFYQKDR-RPBOFIJWSA-N 0 0 439.588 5.370 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000224233351 557578962 /nfs/dbraw/zinc/57/89/62/557578962.db2.gz UXGVFKOEGQWFCM-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000224285402 557585894 /nfs/dbraw/zinc/58/58/94/557585894.db2.gz HKKLHOSDHKERKM-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000224352940 557596890 /nfs/dbraw/zinc/59/68/90/557596890.db2.gz VOWYOMNCXVSCQA-CLJLJLNGSA-N 0 0 438.600 5.920 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000224392225 557600877 /nfs/dbraw/zinc/60/08/77/557600877.db2.gz NFUUQZXLZJMQBZ-BJKOFHAPSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000224392279 557600907 /nfs/dbraw/zinc/60/09/07/557600907.db2.gz NFUUQZXLZJMQBZ-ZEQRLZLVSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 ZINC000224424088 557604664 /nfs/dbraw/zinc/60/46/64/557604664.db2.gz XLSQKEKVKVCYIW-RPWUZVMVSA-N 0 0 443.551 5.200 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 ZINC000224450054 557607390 /nfs/dbraw/zinc/60/73/90/557607390.db2.gz QWBALFXTCDIIPV-BJKOFHAPSA-N 0 0 428.536 5.497 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C ZINC000225013978 557677605 /nfs/dbraw/zinc/67/76/05/557677605.db2.gz ICTLKFFMKUIRMT-LOSJGSFVSA-N 0 0 430.621 5.713 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225014586 557677884 /nfs/dbraw/zinc/67/78/84/557677884.db2.gz CTKIPRASXOHFPI-CLJLJLNGSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F ZINC000225015041 557678046 /nfs/dbraw/zinc/67/80/46/557678046.db2.gz JZYUENJIAFUBIK-ZEQRLZLVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 ZINC000225015205 557678049 /nfs/dbraw/zinc/67/80/49/557678049.db2.gz VVTYFBBXHOEWSI-ZEQRLZLVSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 ZINC000225016680 557678293 /nfs/dbraw/zinc/67/82/93/557678293.db2.gz XXJLEYCFGDGBRP-DNQXCXABSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 ZINC000225016805 557678453 /nfs/dbraw/zinc/67/84/53/557678453.db2.gz XXJLEYCFGDGBRP-ZEQRLZLVSA-N 0 0 432.593 5.110 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccn1 ZINC000225020886 557678667 /nfs/dbraw/zinc/67/86/67/557678667.db2.gz HACFNBAKMAHAKG-ZEQRLZLVSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225018950 557678686 /nfs/dbraw/zinc/67/86/86/557678686.db2.gz ONOUHUKRURQPNN-FTJBHMTQSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(C)ccn1 ZINC000225020813 557678690 /nfs/dbraw/zinc/67/86/90/557678690.db2.gz HACFNBAKMAHAKG-RPWUZVMVSA-N 0 0 431.609 5.108 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1c(C)cccc1C ZINC000225018731 557678692 /nfs/dbraw/zinc/67/86/92/557678692.db2.gz ZUVCXLDQFSUBPY-AOYPEHQESA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)n1 ZINC000225292338 557709515 /nfs/dbraw/zinc/70/95/15/557709515.db2.gz LBGOAVNAFNFGSJ-DENIHFKCSA-N 0 0 430.596 5.276 40 10 IKCBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C ZINC000225426450 557722118 /nfs/dbraw/zinc/72/21/18/557722118.db2.gz SWJAVCOMGCJMCC-FQEVSTJZSA-N 0 0 444.641 5.403 40 10 IKCBRN Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Br ZINC000225664111 557758927 /nfs/dbraw/zinc/75/89/27/557758927.db2.gz OIFMEIYYHMHNOD-MRXNPFEDSA-N 0 0 432.431 5.795 40 10 IKCBRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Br ZINC000225664087 557758941 /nfs/dbraw/zinc/75/89/41/557758941.db2.gz OIFMEIYYHMHNOD-INIZCTEOSA-N 0 0 432.431 5.795 40 10 IKCBRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225665665 557759546 /nfs/dbraw/zinc/75/95/46/557759546.db2.gz ZEQKZHDEWLQEAC-INIZCTEOSA-N 0 0 446.016 5.555 40 10 IKCBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225669968 557760309 /nfs/dbraw/zinc/76/03/09/557760309.db2.gz SJOAJADKYSFKBL-CVEARBPZSA-N 0 0 446.016 5.411 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225670474 557760548 /nfs/dbraw/zinc/76/05/48/557760548.db2.gz YHJTUDIASANRNU-RTBURBONSA-N 0 0 436.625 5.097 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000225691841 557764409 /nfs/dbraw/zinc/76/44/09/557764409.db2.gz FGPGLRDNCDQSGP-MRXNPFEDSA-N 0 0 446.016 5.240 40 10 IKCBRN C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 ZINC000225694952 557765162 /nfs/dbraw/zinc/76/51/62/557765162.db2.gz 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CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)cc3OCC)SC2=S)cc1 ZINC000033408929 557808075 /nfs/dbraw/zinc/80/80/75/557808075.db2.gz LNLPXBNZMSBJPH-DEDYPNTBSA-N 0 0 429.563 5.289 40 10 IKCBRN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccccc1 ZINC000033533326 557808372 /nfs/dbraw/zinc/80/83/72/557808372.db2.gz HBAZJXWSXXDZGY-KQWNVCNZSA-N 0 0 430.529 5.747 40 10 IKCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000033900335 557810241 /nfs/dbraw/zinc/81/02/41/557810241.db2.gz FLDYTNBPHQGGPY-NDENLUEZSA-N 0 0 430.932 5.624 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S ZINC000033779002 557810632 /nfs/dbraw/zinc/81/06/32/557810632.db2.gz IUHODLFTEWOVJO-RQZCQDPDSA-N 0 0 425.406 6.012 40 10 IKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851289 557812116 /nfs/dbraw/zinc/81/21/16/557812116.db2.gz NLHPXZJMJCCEKU-GPHJXTMHSA-N 0 0 430.118 7.035 40 10 IKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000058865644 557812144 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/nfs/dbraw/zinc/69/51/10/521695110.db2.gz RLKPUCVOCHMTNL-OOEDSJJISA-N 0 0 437.594 5.041 40 10 IKCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000041083500 521695589 /nfs/dbraw/zinc/69/55/89/521695589.db2.gz QJSJFYXQRMAIQN-OOEDSJJISA-N 0 0 437.594 5.041 40 10 IKCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000035646170 524675137 /nfs/dbraw/zinc/67/51/37/524675137.db2.gz UBHSKOIJTFDGFS-ODLFYWEKSA-N 0 0 445.327 6.344 40 10 IKCBRN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000041108062 525085219 /nfs/dbraw/zinc/08/52/19/525085219.db2.gz NKDHHWHKXMQZPI-NREDLREFSA-N 0 0 445.935 5.107 40 10 IKCBRN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000041083739 526083448 /nfs/dbraw/zinc/08/34/48/526083448.db2.gz HXAPKJWKNMAOFD-PSVHDLGESA-N 0 0 441.354 5.024 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000015013486 526089011 /nfs/dbraw/zinc/08/90/11/526089011.db2.gz OATNGXHGLJJNJV-LFVJCYFKSA-N 0 0 444.600 6.628 40 10 IKCBRN O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012616859 526908704 /nfs/dbraw/zinc/90/87/04/526908704.db2.gz NDAIFOTUHXLYHQ-CYYJNZCTSA-N 0 0 425.847 5.619 40 10 IKCBRN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000012374591 527157237 /nfs/dbraw/zinc/15/72/37/527157237.db2.gz NUXIULFPJVAFPI-GQSCTRQFSA-N 0 0 447.376 5.854 40 10 IKCBRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 ZINC000000920129 555584342 /nfs/dbraw/zinc/58/43/42/555584342.db2.gz DLHGVZHDHGZRHV-UHFFFAOYSA-N 0 0 445.588 5.123 40 10 IKCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1OC ZINC000001045063 555610836 /nfs/dbraw/zinc/61/08/36/555610836.db2.gz ZBFBNIYUPPSLCH-JCMHNJIXSA-N 0 0 435.570 5.301 40 10 IKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1 ZINC000001183000 555672810 /nfs/dbraw/zinc/67/28/10/555672810.db2.gz VKIVWMRTLXYVLM-LFIBNONCSA-N 0 0 437.373 5.223 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000035042914 555701834 /nfs/dbraw/zinc/70/18/34/555701834.db2.gz PRSXFKAYIBAQBU-NDENLUEZSA-N 0 0 443.355 6.898 40 10 IKCBRN Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001669958 555708922 /nfs/dbraw/zinc/70/89/22/555708922.db2.gz UVLPIULWZIAFJH-DMMSUNFISA-N 0 0 449.984 6.745 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O ZINC000001827954 555719112 /nfs/dbraw/zinc/71/91/12/555719112.db2.gz GEXZUQFRLQXQNL-OMCISZLKSA-N 0 0 426.346 5.504 40 10 IKCBRN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000002286268 555765565 /nfs/dbraw/zinc/76/55/65/555765565.db2.gz UEDVNXCSUFTGGE-XMHGGMMESA-N 0 0 445.009 5.523 40 10 IKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1Cl ZINC000002303823 555766847 /nfs/dbraw/zinc/76/68/47/555766847.db2.gz SNSJXXPQJQPBJT-LFIBNONCSA-N 0 0 437.373 5.223 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 ZINC000408604492 555974701 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O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(F)c1 ZINC000008819670 556219502 /nfs/dbraw/zinc/21/95/02/556219502.db2.gz WHFJRPSLGOHYPL-RGEXLXHISA-N 0 0 428.554 5.226 40 10 IKCBRN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1C ZINC000008819665 556219516 /nfs/dbraw/zinc/21/95/16/556219516.db2.gz MRSBPDIXZDKFOW-PGMHBOJBSA-N 0 0 438.618 5.704 40 10 IKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000008819742 556219548 /nfs/dbraw/zinc/21/95/48/556219548.db2.gz AECUJDCIJIKMIX-PGMHBOJBSA-N 0 0 438.618 5.704 40 10 IKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000008819750 556219551 /nfs/dbraw/zinc/21/95/51/556219551.db2.gz PBZKNOCUJRBTKX-HKWRFOASSA-N 0 0 440.590 5.101 40 10 IKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000008819748 556219581 /nfs/dbraw/zinc/21/95/81/556219581.db2.gz CZWDWCGZSKCVHT-HKWRFOASSA-N 0 0 440.590 5.101 40 10 IKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCCCC1 ZINC000008820166 556220092 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CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1 ZINC000008821345 556222480 /nfs/dbraw/zinc/22/24/80/556222480.db2.gz OHPMXEBVFPTWJR-JLPGSUDCSA-N 0 0 445.609 6.542 40 10 IKCBRN CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000008821494 556222784 /nfs/dbraw/zinc/22/27/84/556222784.db2.gz UKYPVGCQLHGZCY-DEDYPNTBSA-N 0 0 436.514 5.823 40 10 IKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 ZINC000008821487 556222815 /nfs/dbraw/zinc/22/28/15/556222815.db2.gz VIKUCNZIQWHQGC-UDWIEESQSA-N 0 0 436.514 5.877 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000008821420 556222823 /nfs/dbraw/zinc/22/28/23/556222823.db2.gz MBHWLFYAUUZCBH-DEDYPNTBSA-N 0 0 425.962 6.568 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000008821495 556222831 /nfs/dbraw/zinc/22/28/31/556222831.db2.gz LLDPSDMLHKNHAK-DEDYPNTBSA-N 0 0 436.514 5.823 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000008821768 556223620 /nfs/dbraw/zinc/22/36/20/556223620.db2.gz VIMVOORYJHAQRU-HAHDFKILSA-N 0 0 448.975 6.564 40 10 IKCBRN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008821704 556223700 /nfs/dbraw/zinc/22/37/00/556223700.db2.gz VNAQTFXZDHMDHP-ZSOIEALJSA-N 0 0 439.871 5.641 40 10 IKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S1 ZINC000008821884 556223902 /nfs/dbraw/zinc/22/39/02/556223902.db2.gz YSLOHKCYJYKNBK-FYJGNVAPSA-N 0 0 433.489 5.808 40 10 IKCBRN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000008828444 556224886 /nfs/dbraw/zinc/22/48/86/556224886.db2.gz DKWYNNXUJISHRA-UNOMPAQXSA-N 0 0 435.574 5.012 40 10 IKCBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(c2cccc(C)c2C)C1=O ZINC000008873304 556229997 /nfs/dbraw/zinc/22/99/97/556229997.db2.gz UCDARUMKZQFQII-UNOMPAQXSA-N 0 0 439.993 5.857 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000008875243 556230311 /nfs/dbraw/zinc/23/03/11/556230311.db2.gz PWUATGILBMQLQY-HYARGMPZSA-N 0 0 434.586 5.817 40 10 IKCBRN COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009187887 556250805 /nfs/dbraw/zinc/25/08/05/556250805.db2.gz IDVUBHJASDUEPU-KQWNVCNZSA-N 0 0 436.577 5.429 40 10 IKCBRN CCCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000009188381 556251094 /nfs/dbraw/zinc/25/10/94/556251094.db2.gz WZCAPGJEPJIMKT-KGENOOAVSA-N 0 0 427.591 5.584 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000009188453 556251098 /nfs/dbraw/zinc/25/10/98/556251098.db2.gz HXYTYKSOYXSQCQ-ZHZULCJRSA-N 0 0 439.646 6.701 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1 ZINC000009188479 556251128 /nfs/dbraw/zinc/25/11/28/556251128.db2.gz FSJCAFLGLWWCEI-ZHZULCJRSA-N 0 0 439.646 6.701 40 10 IKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009188523 556251169 /nfs/dbraw/zinc/25/11/69/556251169.db2.gz OVDKLWOWEZXRGY-HMAPJEAMSA-N 0 0 435.545 6.119 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)c(C)c1 ZINC000009188597 556251284 /nfs/dbraw/zinc/25/12/84/556251284.db2.gz SDNVHGCDNAFXAS-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000009188554 556251371 /nfs/dbraw/zinc/25/13/71/556251371.db2.gz XZOOROQJKFWEGN-PXNMLYILSA-N 0 0 426.346 5.416 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1C ZINC000009188580 556251382 /nfs/dbraw/zinc/25/13/82/556251382.db2.gz OGJHVOMQUXUOEQ-HAHDFKILSA-N 0 0 431.582 6.288 40 10 IKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000009188692 556251640 /nfs/dbraw/zinc/25/16/40/556251640.db2.gz MUVXJUSPDJWKKK-PAJXCOJRSA-N 0 0 431.582 6.228 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1CCOc1ccccc1 ZINC000009188777 556251650 /nfs/dbraw/zinc/25/16/50/556251650.db2.gz UIRNBNXDSYYJSQ-QJOMJCCJSA-N 0 0 447.581 5.546 40 10 IKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)cc1 ZINC000009188705 556251662 /nfs/dbraw/zinc/25/16/62/556251662.db2.gz MBPACUYLEBHRNQ-VKINRBECSA-N 0 0 445.609 6.536 40 10 IKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000009188673 556251697 /nfs/dbraw/zinc/25/16/97/556251697.db2.gz MJUHYHNQGMKJGM-VKINRBECSA-N 0 0 445.609 6.536 40 10 IKCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000009188828 556251984 /nfs/dbraw/zinc/25/19/84/556251984.db2.gz CIHYARGXOXVYOI-JWGURIENSA-N 0 0 433.554 6.283 40 10 IKCBRN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000009188804 556251992 /nfs/dbraw/zinc/25/19/92/556251992.db2.gz MKCOPVQNOVSBRB-MOSHPQCFSA-N 0 0 441.936 6.677 40 10 IKCBRN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Br ZINC000009188920 556252013 /nfs/dbraw/zinc/25/20/13/556252013.db2.gz RJJKOCMIAXVSJH-HKWRFOASSA-N 0 0 441.394 5.374 40 10 IKCBRN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000009188805 556252057 /nfs/dbraw/zinc/25/20/57/556252057.db2.gz GSSGRGKLYVLTOM-JWGURIENSA-N 0 0 432.570 5.951 40 10 IKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O ZINC000009189197 556252333 /nfs/dbraw/zinc/25/23/33/556252333.db2.gz WZFVPEUJSOMFKR-RGEXLXHISA-N 0 0 431.667 6.521 40 10 IKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 ZINC000036057487 556267325 /nfs/dbraw/zinc/26/73/25/556267325.db2.gz JEBCZXMFVXGEIS-CKFHNAJUSA-N 0 0 431.286 5.201 40 10 IKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000036080633 556271458 /nfs/dbraw/zinc/27/14/58/556271458.db2.gz BENWMSMNYJLUNN-DXBVXKBHSA-N 0 0 442.515 6.399 40 10 IKCBRN Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1C ZINC000009444572 556292065 /nfs/dbraw/zinc/29/20/65/556292065.db2.gz WDLCZFYPFCEWMY-LDADJPATSA-N 0 0 430.982 5.187 40 10 IKCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000009444613 556292111 /nfs/dbraw/zinc/29/21/11/556292111.db2.gz XJILQCKPDAZNNF-QGOAFFKASA-N 0 0 430.982 5.269 40 10 IKCBRN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1C ZINC000009444630 556292118 /nfs/dbraw/zinc/29/21/18/556292118.db2.gz CFVBYKQYXDCOEA-CPNJWEJPSA-N 0 0 445.009 5.577 40 10 IKCBRN CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000013915350 556332629 /nfs/dbraw/zinc/33/26/29/556332629.db2.gz VYEOYVUINGJKFH-DEDYPNTBSA-N 0 0 448.009 5.929 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000214711932 556340263 /nfs/dbraw/zinc/34/02/63/556340263.db2.gz CZXVGOPOVTVRCE-XDHOZWIPSA-N 0 0 435.376 6.076 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408902138 556488858 /nfs/dbraw/zinc/48/88/58/556488858.db2.gz KSNCENXJEUIPEE-FYJGNVAPSA-N 0 0 439.005 6.462 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408902280 556489231 /nfs/dbraw/zinc/48/92/31/556489231.db2.gz MSMOTOCGUAJVHT-LDADJPATSA-N 0 0 433.982 5.932 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408903157 556490616 /nfs/dbraw/zinc/49/06/16/556490616.db2.gz QDHTXMSUVXDKPD-JMIUGGIZSA-N 0 0 440.355 5.171 40 10 IKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408901968 556490980 /nfs/dbraw/zinc/49/09/80/556490980.db2.gz JLBGBCMKNLMTGZ-UDWIEESQSA-N 0 0 435.530 5.408 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408903430 556491440 /nfs/dbraw/zinc/49/14/40/556491440.db2.gz XSFQHBAYSRZIMW-QGOAFFKASA-N 0 0 447.423 5.701 40 10 IKCBRN COc1cccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000015134120 556505883 /nfs/dbraw/zinc/50/58/83/556505883.db2.gz IXFMUCOVOMZETL-OVCLIPMQSA-N 0 0 425.362 5.273 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408757540 556518921 /nfs/dbraw/zinc/51/89/21/556518921.db2.gz ZNEYLZHGNNENTQ-HYARGMPZSA-N 0 0 432.907 5.500 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408934528 556527534 /nfs/dbraw/zinc/52/75/34/556527534.db2.gz BDVQWTRPBIPLNA-HYARGMPZSA-N 0 0 448.881 5.500 40 10 IKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000032115735 556531832 /nfs/dbraw/zinc/53/18/32/556531832.db2.gz FITOTEDHWXKCNF-ZDLGFXPLSA-N 0 0 433.371 5.610 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000408943461 556540926 /nfs/dbraw/zinc/54/09/26/556540926.db2.gz SHCATZYDAJYSHZ-HZHRSRAPSA-N 0 0 444.918 5.669 40 10 IKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408944787 556542632 /nfs/dbraw/zinc/54/26/32/556542632.db2.gz VFBGHVFEZUWEDJ-KGENOOAVSA-N 0 0 448.881 5.500 40 10 IKCBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015906844 556562845 /nfs/dbraw/zinc/56/28/45/556562845.db2.gz MEESALJQUCAWEM-HSZRJFAPSA-O 0 0 432.525 5.396 40 10 IKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C ZINC000408968831 556576063 /nfs/dbraw/zinc/57/60/63/556576063.db2.gz ZPULRVUEOQYUHI-UCQKPKSFSA-N 0 0 434.536 6.032 40 10 IKCBRN CCCCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408970077 556584318 /nfs/dbraw/zinc/58/43/18/556584318.db2.gz AAFUDLPBCBZZTK-PGMHBOJBSA-N 0 0 438.449 6.367 40 10 IKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1 ZINC000016292350 556598121 /nfs/dbraw/zinc/59/81/21/556598121.db2.gz SPGZVDTUQSZIJA-UCQKPKSFSA-N 0 0 449.572 6.115 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408757953 556605097 /nfs/dbraw/zinc/60/50/97/556605097.db2.gz DZVHXNBICJHMGF-XSFVSMFZSA-N 0 0 431.919 6.137 40 10 IKCBRN Cc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 ZINC000408972648 556610393 /nfs/dbraw/zinc/61/03/93/556610393.db2.gz QGPHIRUKLHAJDO-AQTBWJFISA-N 0 0 428.435 6.088 40 10 IKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000016678461 556623189 /nfs/dbraw/zinc/62/31/89/556623189.db2.gz AWWMWEAWTQPLBF-DEDYPNTBSA-N 0 0 446.041 5.765 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)cc1 ZINC000016678554 556623197 /nfs/dbraw/zinc/62/31/97/556623197.db2.gz IXBBSIOFFSRLCE-UHFFFAOYSA-N 0 0 443.547 5.975 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=N)S1 ZINC000033745874 556629641 /nfs/dbraw/zinc/62/96/41/556629641.db2.gz LZCKUTPMXDHPRI-QNPCYTEQSA-N 0 0 447.608 5.910 40 10 IKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=N)S1 ZINC000033757021 556630754 /nfs/dbraw/zinc/63/07/54/556630754.db2.gz QZHCVWJAKJCWDZ-FTNSYOLJSA-N 0 0 449.580 5.302 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O)c2ccccc12 ZINC000016779651 556641348 /nfs/dbraw/zinc/64/13/48/556641348.db2.gz DMHYMCMOKAIUTM-UHFFFAOYSA-N 0 0 434.561 5.679 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(C)cc3)cc(Cl)c2O)c2ccccc12 ZINC000016779682 556641383 /nfs/dbraw/zinc/64/13/83/556641383.db2.gz YDGZPUDRHSPICV-UHFFFAOYSA-N 0 0 440.952 5.716 40 10 IKCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)c2ccccc12 ZINC000016807688 556644486 /nfs/dbraw/zinc/64/44/86/556644486.db2.gz WNUUOKLMCYNYQG-UHFFFAOYSA-N 0 0 442.540 5.907 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000408983385 556665824 /nfs/dbraw/zinc/66/58/24/556665824.db2.gz BMWLSTIPZRDHRA-HMMYKYKNSA-N 0 0 446.344 6.319 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000408983803 556667266 /nfs/dbraw/zinc/66/72/66/556667266.db2.gz CSCSPUSBSYVHSX-SZXQPVLSSA-N 0 0 443.546 7.224 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408983811 556667316 /nfs/dbraw/zinc/66/73/16/556667316.db2.gz CTSLQYOICBYUPT-CJLVFECKSA-N 0 0 448.393 7.807 40 10 IKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1C ZINC000017129930 556669199 /nfs/dbraw/zinc/66/91/99/556669199.db2.gz WXPLEQHSOIFUEZ-QZQOTICOSA-N 0 0 431.384 6.532 40 10 IKCBRN CSC(=S)n1nc(-c2cccs2)c(/N=N/c2ccc(Cl)cc2)c1C(F)(F)F ZINC000017141404 556669680 /nfs/dbraw/zinc/66/96/80/556669680.db2.gz XWAHNYPYTSZEFU-QURGRASLSA-N 0 0 446.932 7.195 40 10 IKCBRN Cc1oc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418543 556677092 /nfs/dbraw/zinc/67/70/92/556677092.db2.gz INPGQTSUSFGREI-ZIAGYGMSSA-N 0 0 442.943 5.270 40 10 IKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)c1 ZINC000408758830 556681645 /nfs/dbraw/zinc/68/16/45/556681645.db2.gz SCELBMFQTKECDA-KGENOOAVSA-N 0 0 433.305 5.298 40 10 IKCBRN CCOc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(c3cccc(C(C)=O)c3)C2=O)cc1 ZINC000408984348 556685045 /nfs/dbraw/zinc/68/50/45/556685045.db2.gz HCYURYNPXSTUFO-PXLXIMEGSA-N 0 0 443.930 6.413 40 10 IKCBRN Nc1c(Br)cc2c(c1Br)Cc1cc(/N=N/c3ccccc3)ccc1-2 ZINC000018154335 556685198 /nfs/dbraw/zinc/68/51/98/556685198.db2.gz CBCIPUKBHDNHAL-WCWDXBQESA-N 0 0 443.142 6.780 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408984461 556685325 /nfs/dbraw/zinc/68/53/25/556685325.db2.gz HKFRKBSJNXRUSV-HMMYKYKNSA-N 0 0 446.344 6.319 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1cccc(Br)c1 ZINC000408759979 556686954 /nfs/dbraw/zinc/68/69/54/556686954.db2.gz PJUKZOQWKBZSAI-UDWIEESQSA-N 0 0 439.259 5.562 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000408760059 556687239 /nfs/dbraw/zinc/68/72/39/556687239.db2.gz QTICQMHEDDUONS-FXBPSFAMSA-N 0 0 443.974 7.117 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000408760975 556687508 /nfs/dbraw/zinc/68/75/08/556687508.db2.gz BIRLLHXVIOTVMN-JWGURIENSA-N 0 0 429.947 6.943 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc2ccccc21 ZINC000408985820 556687700 /nfs/dbraw/zinc/68/77/00/556687700.db2.gz NLTZYPLHCXWREX-RCCKNPSSSA-N 0 0 442.345 7.618 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)cc1 ZINC000408760916 556687821 /nfs/dbraw/zinc/68/78/21/556687821.db2.gz AXBATTMQCYTECO-XSFVSMFZSA-N 0 0 437.293 5.275 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408986619 556688189 /nfs/dbraw/zinc/68/81/89/556688189.db2.gz ROKXXRUVPVMSCV-PXLXIMEGSA-N 0 0 440.499 6.082 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408761970 556688172 /nfs/dbraw/zinc/68/81/72/556688172.db2.gz IKFPPTGBILDCBG-UYRXBGFRSA-N 0 0 446.890 6.037 40 10 IKCBRN Nc1ccc(/N=N/c2ccc3cc4ccc(/N=N/c5ccc(N)nc5N)cc4nc3c2)c(N)n1 ZINC000018251933 556688467 /nfs/dbraw/zinc/68/84/67/556688467.db2.gz RKDJPLAXPITDOD-FMWAKIAMSA-N 0 0 449.482 5.338 40 10 IKCBRN CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408987802 556693209 /nfs/dbraw/zinc/69/32/09/556693209.db2.gz YJCKAKAYJFXKEJ-GNFOSXPUSA-N 0 0 448.393 7.978 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc2ncccc2c1 ZINC000408987832 556693352 /nfs/dbraw/zinc/69/33/52/556693352.db2.gz YVXHBZCKYYAHCQ-DEDYPNTBSA-N 0 0 443.333 7.013 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)cc1 ZINC000408992744 556709230 /nfs/dbraw/zinc/70/92/30/556709230.db2.gz BLEQMVJKEYMYBP-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408997581 556710204 /nfs/dbraw/zinc/71/02/04/556710204.db2.gz NGQQTBWFIQZYHS-JLPGSUDCSA-N 0 0 443.474 5.282 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000409002350 556711662 /nfs/dbraw/zinc/71/16/62/556711662.db2.gz TZQPAFWJNJYXOV-DEDYPNTBSA-N 0 0 427.718 6.481 40 10 IKCBRN CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409009851 556714587 /nfs/dbraw/zinc/71/45/87/556714587.db2.gz AAONTRWJPNPEED-SJWFJVLYSA-N 0 0 433.371 5.691 40 10 IKCBRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409009850 556714598 /nfs/dbraw/zinc/71/45/98/556714598.db2.gz AAONTRWJPNPEED-OTWJJXBCSA-N 0 0 433.371 5.691 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409012253 556715564 /nfs/dbraw/zinc/71/55/64/556715564.db2.gz PRAZGDHCGIZROH-LDADJPATSA-N 0 0 426.303 5.498 40 10 IKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409016922 556720214 /nfs/dbraw/zinc/72/02/14/556720214.db2.gz BLKNKEJEXRREIJ-BWAHOGKJSA-N 0 0 439.511 5.533 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000409018129 556721150 /nfs/dbraw/zinc/72/11/50/556721150.db2.gz RUDGNTYPEWAEGI-MOSHPQCFSA-N 0 0 433.891 5.384 40 10 IKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c2n1C(C)C ZINC000409033199 556731791 /nfs/dbraw/zinc/73/17/91/556731791.db2.gz NQYRPDXATVBIBK-DEDYPNTBSA-N 0 0 425.454 6.188 40 10 IKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1C(C)C ZINC000409047350 556752579 /nfs/dbraw/zinc/75/25/79/556752579.db2.gz MJHKBUSUPQTMTL-ZROIWOOFSA-N 0 0 447.407 6.032 40 10 IKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OC(C)C ZINC000409050580 556754464 /nfs/dbraw/zinc/75/44/64/556754464.db2.gz XFLDQOYVDWSWEP-GHXNOFRVSA-N 0 0 444.787 5.629 40 10 IKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409054079 556758021 /nfs/dbraw/zinc/75/80/21/556758021.db2.gz MIULMLPTGLRIAU-OYKKKHCWSA-N 0 0 444.531 5.177 40 10 IKCBRN COc1ccc2ccc(OC)c(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)c2c1 ZINC000409054962 556758274 /nfs/dbraw/zinc/75/82/74/556758274.db2.gz WRTRGICDQLCKJO-XKZIYDEJSA-N 0 0 435.570 5.567 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409055300 556758568 /nfs/dbraw/zinc/75/85/68/556758568.db2.gz DSLCIQXHFRKLCL-QNGOZBTKSA-N 0 0 430.479 5.110 40 10 IKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408762467 556760947 /nfs/dbraw/zinc/76/09/47/556760947.db2.gz KMWUOZZBSHDYQV-QGOAFFKASA-N 0 0 433.891 5.534 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409059755 556765118 /nfs/dbraw/zinc/76/51/18/556765118.db2.gz OBCKFVBVHVGRMR-JLPGSUDCSA-N 0 0 426.516 5.280 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409059872 556766008 /nfs/dbraw/zinc/76/60/08/556766008.db2.gz OXQBRZRRQSXASQ-RGEXLXHISA-N 0 0 448.469 5.250 40 10 IKCBRN Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 ZINC000001218550 556768008 /nfs/dbraw/zinc/76/80/08/556768008.db2.gz POFGNYWRLHJKKK-ATVHPVEESA-N 0 0 430.620 5.293 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409071017 556774540 /nfs/dbraw/zinc/77/45/40/556774540.db2.gz PSCUGYPVXJKMNJ-BUVRLJJBSA-N 0 0 439.490 5.479 40 10 IKCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000001340104 556778066 /nfs/dbraw/zinc/77/80/66/556778066.db2.gz BTZKIIMVWZKNRN-UHFFFAOYSA-N 0 0 443.016 5.656 40 10 IKCBRN CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(OC)cc2)n1Cc1ccco1 ZINC000001355647 556782602 /nfs/dbraw/zinc/78/26/02/556782602.db2.gz AUIALUOKZRJXJM-UHFFFAOYSA-N 0 0 447.560 5.493 40 10 IKCBRN COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409086119 556790583 /nfs/dbraw/zinc/79/05/83/556790583.db2.gz YNBAHRGASPBROE-HKWRFOASSA-N 0 0 433.305 5.292 40 10 IKCBRN CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409090141 556791944 /nfs/dbraw/zinc/79/19/44/556791944.db2.gz LLMXRDKUCWUWHT-ZHZULCJRSA-N 0 0 432.907 5.582 40 10 IKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409100068 556796448 /nfs/dbraw/zinc/79/64/48/556796448.db2.gz UQXLBOMLRWGMAT-OEAKJJBVSA-N 0 0 447.966 6.142 40 10 IKCBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1c3ccccn3c3c1C(=O)c1ccccc1C3=O)C2 ZINC000002686091 556803044 /nfs/dbraw/zinc/80/30/44/556803044.db2.gz LBLNXFXDMUUCNF-KMNVGERZSA-N 0 0 427.500 5.086 40 10 IKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc21 ZINC000409117275 556809663 /nfs/dbraw/zinc/80/96/63/556809663.db2.gz XGFCTEPXXNUCHI-MOSHPQCFSA-N 0 0 425.359 6.698 40 10 IKCBRN CCCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000006077830 556828536 /nfs/dbraw/zinc/82/85/36/556828536.db2.gz QDMAYSQAOKKLKK-IBGZPJMESA-N 0 0 437.754 6.296 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409126026 556832361 /nfs/dbraw/zinc/83/23/61/556832361.db2.gz LBWSFUDUHBCSOO-SRZZPIQSSA-N 0 0 446.975 6.503 40 10 IKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 ZINC000019643513 556838433 /nfs/dbraw/zinc/83/84/33/556838433.db2.gz WELWYSJDHRBOJH-UHFFFAOYSA-N 0 0 445.519 5.611 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409130491 556841850 /nfs/dbraw/zinc/84/18/50/556841850.db2.gz ICICXTFNRDYPMS-BUVRLJJBSA-N 0 0 436.621 6.834 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408768802 556846949 /nfs/dbraw/zinc/84/69/49/556846949.db2.gz JMIFRCUJRFCVFR-XMHGGMMESA-N 0 0 427.416 5.283 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408769001 556847050 /nfs/dbraw/zinc/84/70/50/556847050.db2.gz KVCYHYHUAQLDBC-YBEGLDIGSA-N 0 0 434.344 5.593 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C ZINC000408772126 556847563 /nfs/dbraw/zinc/84/75/63/556847563.db2.gz BIRYTZSBNHJDIO-HAHDFKILSA-N 0 0 443.572 5.007 40 10 IKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 ZINC000408776677 556847571 /nfs/dbraw/zinc/84/75/71/556847571.db2.gz PLUWXCDSNQUNFQ-RISWYLRJSA-N 0 0 431.605 5.873 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409135567 556848448 /nfs/dbraw/zinc/84/84/48/556848448.db2.gz ZDZXFVPMMFEKTM-PCLIKHOPSA-N 0 0 444.600 6.864 40 10 IKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000008935244 556852683 /nfs/dbraw/zinc/85/26/83/556852683.db2.gz HIMBFNXQVZJWIJ-AIQNWGLSSA-N 0 0 442.515 5.666 40 10 IKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 ZINC000008935286 556852788 /nfs/dbraw/zinc/85/27/88/556852788.db2.gz HIMBFNXQVZJWIJ-BVMUCEKZSA-N 0 0 442.515 5.666 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 ZINC000408781680 556855979 /nfs/dbraw/zinc/85/59/79/556855979.db2.gz FAIYRCYKQKUZFX-RWTNITNYSA-N 0 0 448.548 5.164 40 10 IKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000408786887 556856443 /nfs/dbraw/zinc/85/64/43/556856443.db2.gz OXSHXWLWVLOHOA-OQKWZONESA-N 0 0 438.527 6.672 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408799502 556857734 /nfs/dbraw/zinc/85/77/34/556857734.db2.gz ZIYDQZJGCCNADP-JWGURIENSA-N 0 0 443.474 5.282 40 10 IKCBRN Cc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000408801804 556858784 /nfs/dbraw/zinc/85/87/84/556858784.db2.gz BVIJOTOFYUGWSF-UHFFFAOYSA-N 0 0 440.951 5.958 40 10 IKCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408806864 556859151 /nfs/dbraw/zinc/85/91/51/556859151.db2.gz CAWQOLGSBVXPNL-MTJSOVHGSA-N 0 0 438.936 5.650 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408840759 556867481 /nfs/dbraw/zinc/86/74/81/556867481.db2.gz FLNAWYGVUJYAOE-XSFVSMFZSA-N 0 0 448.906 5.200 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1 ZINC000408845823 556868951 /nfs/dbraw/zinc/86/89/51/556868951.db2.gz RWAAAHCIELFMKT-DEDYPNTBSA-N 0 0 437.268 5.128 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)c1 ZINC000408846807 556869231 /nfs/dbraw/zinc/86/92/31/556869231.db2.gz ZBYARHULZYEXIT-KGENOOAVSA-N 0 0 435.296 5.731 40 10 IKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408849212 556870332 /nfs/dbraw/zinc/87/03/32/556870332.db2.gz ZAXLGRKDVPJEHI-CPNJWEJPSA-N 0 0 438.270 5.736 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1 ZINC000408859099 556872956 /nfs/dbraw/zinc/87/29/56/556872956.db2.gz SRYXACJPQSOKOX-BUVRLJJBSA-N 0 0 430.935 6.342 40 10 IKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000408866521 556873549 /nfs/dbraw/zinc/87/35/49/556873549.db2.gz GRSCJLPVYUBAII-PDGQHHTCSA-N 0 0 446.469 5.194 40 10 IKCBRN CCOc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408866774 556873591 /nfs/dbraw/zinc/87/35/91/556873591.db2.gz IVUGHHFMYZOURA-UHFFFAOYSA-N 0 0 446.890 5.322 40 10 IKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409139563 556873590 /nfs/dbraw/zinc/87/35/90/556873590.db2.gz OFCNKWAAJWEHKY-WSDLNYQXSA-N 0 0 443.012 6.673 40 10 IKCBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1 ZINC000409143229 556873937 /nfs/dbraw/zinc/87/39/37/556873937.db2.gz MBDRPNRYPVYAPA-JJIBRWJFSA-N 0 0 446.572 5.772 40 10 IKCBRN O=C1[C@H](Cc2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000409144870 556874040 /nfs/dbraw/zinc/87/40/40/556874040.db2.gz QIVPRWMESCXWKO-FQEVSTJZSA-N 0 0 443.977 5.484 40 10 IKCBRN CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408875129 556874529 /nfs/dbraw/zinc/87/45/29/556874529.db2.gz DHJQEFQULWNKFM-UHFFFAOYSA-N 0 0 442.540 5.222 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000409154632 556879140 /nfs/dbraw/zinc/87/91/40/556879140.db2.gz KNYZMOBCUYZKAV-DINDLPBHSA-N 0 0 429.225 6.747 40 10 IKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000409154636 556879207 /nfs/dbraw/zinc/87/92/07/556879207.db2.gz KNYZMOBCUYZKAV-RLFDGXBXSA-N 0 0 429.225 6.747 40 10 IKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409155349 556879211 /nfs/dbraw/zinc/87/92/11/556879211.db2.gz PNTQJFVRXWSMLW-XNJGSVPQSA-N 0 0 428.679 6.948 40 10 IKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000409154806 556879451 /nfs/dbraw/zinc/87/94/51/556879451.db2.gz HMNQUAMFGCMYDS-PPJWLVRDSA-N 0 0 428.557 7.022 40 10 IKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408895654 556880832 /nfs/dbraw/zinc/88/08/32/556880832.db2.gz VCBHFMJNKDJFFT-QJOMJCCJSA-N 0 0 431.532 5.271 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408902030 556883101 /nfs/dbraw/zinc/88/31/01/556883101.db2.gz JXTUUAMEFJWUTE-NFECSFHCSA-N 0 0 448.009 6.322 40 10 IKCBRN 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ZINC000408941692 556896867 /nfs/dbraw/zinc/89/68/67/556896867.db2.gz PKVINSUMJAAYIV-BUVRLJJBSA-N 0 0 426.516 5.697 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C ZINC000408961028 556900713 /nfs/dbraw/zinc/90/07/13/556900713.db2.gz PXYWWNBNEUZGKK-IWIPYMOSSA-N 0 0 427.548 5.366 40 10 IKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000408961121 556900956 /nfs/dbraw/zinc/90/09/56/556900956.db2.gz RDXFRQCAXKXPRM-UCQKPKSFSA-N 0 0 448.563 6.341 40 10 IKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1C ZINC000408964313 556902278 /nfs/dbraw/zinc/90/22/78/556902278.db2.gz CUARARCAMCCTCQ-IWIPYMOSSA-N 0 0 430.573 6.201 40 10 IKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000408972208 556903015 /nfs/dbraw/zinc/90/30/15/556903015.db2.gz NLDOGEUZESJOJP-MOSHPQCFSA-N 0 0 443.856 6.096 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969059 556903925 /nfs/dbraw/zinc/90/39/25/556903925.db2.gz 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COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000409329440 557063815 /nfs/dbraw/zinc/06/38/15/557063815.db2.gz FPHFCWNBCYDVHO-CHHVJCJISA-N 0 0 441.317 5.316 40 10 IKCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329315 557063863 /nfs/dbraw/zinc/06/38/63/557063863.db2.gz DPAGZSNJVZXSDG-WQRHYEAKSA-N 0 0 435.401 5.999 40 10 IKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408600199 557064464 /nfs/dbraw/zinc/06/44/64/557064464.db2.gz WUIKSUSLQZCXCX-WQRHYEAKSA-N 0 0 448.407 5.890 40 10 IKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1 ZINC000409330314 557064715 /nfs/dbraw/zinc/06/47/15/557064715.db2.gz KZODHBFKTLGNNP-UNOMPAQXSA-N 0 0 427.547 6.213 40 10 IKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000409330177 557064790 /nfs/dbraw/zinc/06/47/90/557064790.db2.gz KATMOGIRAYWCFW-GIJQJNRQSA-N 0 0 433.385 6.374 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C ZINC000409330855 557064888 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448.352 5.814 40 10 IKCBRN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409383267 557091470 /nfs/dbraw/zinc/09/14/70/557091470.db2.gz VQRFAMHAERDWBW-FRKPEAEDSA-N 0 0 434.325 5.506 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000409383003 557091566 /nfs/dbraw/zinc/09/15/66/557091566.db2.gz QJAWSOOWMLWOMU-STZFKDTASA-N 0 0 431.513 5.145 40 10 IKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4CC)S2)cc1 ZINC000208502085 557092855 /nfs/dbraw/zinc/09/28/55/557092855.db2.gz ACUURASOAXMCOB-HAHDFKILSA-N 0 0 431.605 6.353 40 10 IKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc4c(c3)C(C)=CC(C)(C)N4CC)S2)cc1 ZINC000208502143 557092959 /nfs/dbraw/zinc/09/29/59/557092959.db2.gz SIHOYRHJMHDTHN-HAHDFKILSA-N 0 0 447.604 6.190 40 10 IKCBRN CCN1c2cc(C)c(C=C3SC(Nc4cccc(C)c4)=NC3=O)cc2C(C)=CC1(C)C ZINC000208525795 557093527 /nfs/dbraw/zinc/09/35/27/557093527.db2.gz VAJCPNHNTNMBMG-UCQKPKSFSA-N 0 0 431.605 6.408 40 10 IKCBRN CCN1c2cc(C)c(C=C3SC(Nc4cccc(C)c4C)=NC3=O)cc2C(C)=CC1(C)C ZINC000208522394 557093547 /nfs/dbraw/zinc/09/35/47/557093547.db2.gz JJRJNQJYVYXCSE-OYKKKHCWSA-N 0 0 445.632 6.716 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208532180 557093579 /nfs/dbraw/zinc/09/35/79/557093579.db2.gz UJHHRJFOLFNVOF-XKZIYDEJSA-N 0 0 449.982 5.763 40 10 IKCBRN CCN1c2cc(C)c(C=C3SC(Nc4ccc(F)cc4)=NC3=O)cc2C(C)=CC1(C)C ZINC000208518671 557093608 /nfs/dbraw/zinc/09/36/08/557093608.db2.gz HGWLQIXWANVAML-XKZIYDEJSA-N 0 0 435.568 6.238 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409389378 557100643 /nfs/dbraw/zinc/10/06/43/557100643.db2.gz AWFVYKHQOJWUHO-FMCGGJTJSA-N 0 0 447.991 5.443 40 10 IKCBRN CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409327085 557111071 /nfs/dbraw/zinc/11/10/71/557111071.db2.gz HSDDWQUVBXMVIQ-ZDLGFXPLSA-N 0 0 438.401 6.184 40 10 IKCBRN O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409326716 557111144 /nfs/dbraw/zinc/11/11/44/557111144.db2.gz DVLUHMVXQIXXGE-AUWJEWJLSA-N 0 0 434.291 6.418 40 10 IKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409327478 557111218 /nfs/dbraw/zinc/11/12/18/557111218.db2.gz KACFAJHCRLSBIK-WSDLNYQXSA-N 0 0 447.537 5.400 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000409328920 557111440 /nfs/dbraw/zinc/11/14/40/557111440.db2.gz AKGWLUQHXVFPOF-DEDYPNTBSA-N 0 0 431.554 5.809 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)cc1Cl ZINC000409329733 557111686 /nfs/dbraw/zinc/11/16/86/557111686.db2.gz HMXKQQVEOKBRHK-ODLFYWEKSA-N 0 0 428.966 5.555 40 10 IKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409329399 557111705 /nfs/dbraw/zinc/11/17/05/557111705.db2.gz FPAWHASOFQGSPS-NDENLUEZSA-N 0 0 442.562 6.006 40 10 IKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000409329488 557111730 /nfs/dbraw/zinc/11/17/30/557111730.db2.gz GLRIATRKPPMGFP-PDGQHHTCSA-N 0 0 448.407 5.639 40 10 IKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)CC ZINC000409329524 557111742 /nfs/dbraw/zinc/11/17/42/557111742.db2.gz FERINZOLFSOAMD-FAPYRAKZSA-N 0 0 448.009 6.322 40 10 IKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000409329569 557111748 /nfs/dbraw/zinc/11/17/48/557111748.db2.gz GBUOIHGZIRMKER-ATVHPVEESA-N 0 0 434.380 5.644 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(C)C ZINC000409329969 557112107 /nfs/dbraw/zinc/11/21/07/557112107.db2.gz IMJDCYAULRERCR-LPYMAVHISA-N 0 0 441.618 6.143 40 10 IKCBRN O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329864 557112164 /nfs/dbraw/zinc/11/21/64/557112164.db2.gz HXRGYVXXCNNWJW-FRKPEAEDSA-N 0 0 449.782 5.990 40 10 IKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409331703 557112928 /nfs/dbraw/zinc/11/29/28/557112928.db2.gz OLWFYXAYNCKXMS-BKUYFWCQSA-N 0 0 448.525 5.580 40 10 IKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100352680 557112935 /nfs/dbraw/zinc/11/29/35/557112935.db2.gz YPLGYLCHUVSZPS-OCOZRVBESA-N 0 0 432.436 5.116 40 10 IKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409332978 557113313 /nfs/dbraw/zinc/11/33/13/557113313.db2.gz SXRQUQKLOBADBA-PXLXIMEGSA-N 0 0 435.570 6.043 40 10 IKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000409332438 557113339 /nfs/dbraw/zinc/11/33/39/557113339.db2.gz RLYSYSREFYADLP-MOSHPQCFSA-N 0 0 448.009 5.929 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000409333694 557113353 /nfs/dbraw/zinc/11/33/53/557113353.db2.gz VFBOIQCBZHZGAS-RCCKNPSSSA-N 0 0 427.591 5.978 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(C)C ZINC000409334961 557113515 /nfs/dbraw/zinc/11/35/15/557113515.db2.gz YHIUAPRFPUDUJQ-FYJGNVAPSA-N 0 0 427.591 5.834 40 10 IKCBRN O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409335640 557113745 /nfs/dbraw/zinc/11/37/45/557113745.db2.gz XXYRQZPNSQBQSY-WQRHYEAKSA-N 0 0 442.359 5.714 40 10 IKCBRN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338009 557115356 /nfs/dbraw/zinc/11/53/56/557115356.db2.gz BHBVQUHIRVRBFK-VGOFMYFVSA-N 0 0 428.735 5.647 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000409337988 557115392 /nfs/dbraw/zinc/11/53/92/557115392.db2.gz AURBHQHBSPFJEK-OVCLIPMQSA-N 0 0 426.346 5.504 40 10 IKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409338149 557115698 /nfs/dbraw/zinc/11/56/98/557115698.db2.gz DWGZQOYIFHAIMF-GQFJFNLSSA-N 0 0 445.631 6.000 40 10 IKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 ZINC000409338917 557116027 /nfs/dbraw/zinc/11/60/27/557116027.db2.gz CATINTDQCNTGIJ-STZFKDTASA-N 0 0 444.021 6.453 40 10 IKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409339696 557117166 /nfs/dbraw/zinc/11/71/66/557117166.db2.gz KSTBRAUUJUPMDT-PDGQHHTCSA-N 0 0 448.407 5.952 40 10 IKCBRN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1C1CCCCC1 ZINC000409340102 557117246 /nfs/dbraw/zinc/11/72/46/557117246.db2.gz QLIBMGXCMBOKEB-XLNRJJMWSA-N 0 0 439.602 5.678 40 10 IKCBRN O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccccc1F ZINC000409340539 557118972 /nfs/dbraw/zinc/11/89/72/557118972.db2.gz YUSHEKWTVFXXGT-FRKPEAEDSA-N 0 0 433.327 5.475 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1 ZINC000409341874 557120947 /nfs/dbraw/zinc/12/09/47/557120947.db2.gz CEOZHSMOPNAJAZ-WOJGMQOQSA-N 0 0 448.407 5.951 40 10 IKCBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409343373 557122306 /nfs/dbraw/zinc/12/23/06/557122306.db2.gz GSTPRQSICNVKKQ-PXNMLYILSA-N 0 0 434.325 5.506 40 10 IKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)c[nH]c21 ZINC000409343657 557122544 /nfs/dbraw/zinc/12/25/44/557122544.db2.gz FOAZVNDSXFSUMB-YVLHZVERSA-N 0 0 443.391 5.899 40 10 IKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000409343536 557123506 /nfs/dbraw/zinc/12/35/06/557123506.db2.gz HFLHFUBGJITQRW-RCCKNPSSSA-N 0 0 427.591 5.978 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c1 ZINC000409344344 557124073 /nfs/dbraw/zinc/12/40/73/557124073.db2.gz IRQXYMKVRWCKGV-WQRHYEAKSA-N 0 0 446.380 6.968 40 10 IKCBRN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000409344246 557124248 /nfs/dbraw/zinc/12/42/48/557124248.db2.gz IKBJKKPWIAOINK-ODLFYWEKSA-N 0 0 440.477 5.708 40 10 IKCBRN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409344713 557125438 /nfs/dbraw/zinc/12/54/38/557125438.db2.gz IBVMUWDGOJHUOS-WOJGMQOQSA-N 0 0 426.450 5.400 40 10 IKCBRN Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000020711290 557125822 /nfs/dbraw/zinc/12/58/22/557125822.db2.gz NUOIGBKNJVBSHK-SEDUGSJDSA-N 0 0 442.127 6.425 40 10 IKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OC(F)F ZINC000409345091 557126126 /nfs/dbraw/zinc/12/61/26/557126126.db2.gz KJGCZKGVESMOBY-XDHOZWIPSA-N 0 0 443.496 5.856 40 10 IKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)c1 ZINC000409345212 557126132 /nfs/dbraw/zinc/12/61/32/557126132.db2.gz KQKIXYHMCOVOFC-AQTBWJFISA-N 0 0 441.624 6.559 40 10 IKCBRN CC(C)n1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000409345328 557126403 /nfs/dbraw/zinc/12/64/03/557126403.db2.gz LEGYHDKFNIOGRG-OCKHKDLRSA-N 0 0 447.412 6.935 40 10 IKCBRN CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S ZINC000409345300 557126509 /nfs/dbraw/zinc/12/65/09/557126509.db2.gz KXXRQPNOEJWKAF-KGENOOAVSA-N 0 0 427.591 5.584 40 10 IKCBRN O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409349450 557128423 /nfs/dbraw/zinc/12/84/23/557128423.db2.gz QCGHNIXCYDUVPJ-WQRHYEAKSA-N 0 0 444.350 6.147 40 10 IKCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 ZINC000409350327 557129307 /nfs/dbraw/zinc/12/93/07/557129307.db2.gz XZTVBQMHNHBMOJ-XKZIYDEJSA-N 0 0 433.554 6.172 40 10 IKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(I)cc2)SC1=S ZINC000409348655 557129326 /nfs/dbraw/zinc/12/93/26/557129326.db2.gz ODQMCBVLLSJSHO-GDNBJRDFSA-N 0 0 437.327 5.005 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)CC ZINC000409350456 557129398 /nfs/dbraw/zinc/12/93/98/557129398.db2.gz RMCDFDKNPZNGFU-YIRPMMGJSA-N 0 0 427.591 5.977 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000409348542 557129414 /nfs/dbraw/zinc/12/94/14/557129414.db2.gz OIMCDESRSJHMBW-NDENLUEZSA-N 0 0 436.514 5.877 40 10 IKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(F)F ZINC000409350326 557129430 /nfs/dbraw/zinc/12/94/30/557129430.db2.gz RQLHLLFCHQTJKX-CXUHLZMHSA-N 0 0 441.908 5.746 40 10 IKCBRN CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409351129 557129490 /nfs/dbraw/zinc/12/94/90/557129490.db2.gz ZMVZYHQVUOCNAY-MOSHPQCFSA-N 0 0 436.514 5.553 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)SC2=S)c(C)c1 ZINC000409350636 557129584 /nfs/dbraw/zinc/12/95/84/557129584.db2.gz YPGLSWRTKOBAPE-UCQKPKSFSA-N 0 0 433.598 6.650 40 10 IKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409351521 557129859 /nfs/dbraw/zinc/12/98/59/557129859.db2.gz UYJGIFOYZUBKCA-CPNJWEJPSA-N 0 0 433.982 5.933 40 10 IKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409352008 557129935 /nfs/dbraw/zinc/12/99/35/557129935.db2.gz VNLSXNRGPTYIPG-NCUBORBFSA-N 0 0 437.508 6.289 40 10 IKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)c1 ZINC000409352618 557132707 /nfs/dbraw/zinc/13/27/07/557132707.db2.gz XIALACJZKKTILD-KGENOOAVSA-N 0 0 435.595 6.607 40 10 IKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000409369397 557138189 /nfs/dbraw/zinc/13/81/89/557138189.db2.gz MHBQGFODYOWJTJ-VGOFMYFVSA-N 0 0 442.324 5.070 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000103557473 557138719 /nfs/dbraw/zinc/13/87/19/557138719.db2.gz USLGDGNJSWQXQP-HZHRSRAPSA-N 0 0 447.332 5.834 40 10 IKCBRN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409379040 557140292 /nfs/dbraw/zinc/14/02/92/557140292.db2.gz UPWXBZHFAWGHAQ-LZYBPNLTSA-N 0 0 433.432 5.218 40 10 IKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 ZINC000103919314 557140405 /nfs/dbraw/zinc/14/04/05/557140405.db2.gz WPEXCHNQFZJVNB-ZHZULCJRSA-N 0 0 433.430 5.483 40 10 IKCBRN CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000103916543 557140674 /nfs/dbraw/zinc/14/06/74/557140674.db2.gz WIULIEVVJLYOIP-XHPQRKPJSA-N 0 0 427.523 5.634 40 10 IKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 ZINC000103917996 557140777 /nfs/dbraw/zinc/14/07/77/557140777.db2.gz NFUPOABJGGKEQQ-XLNRJJMWSA-N 0 0 438.553 5.062 40 10 IKCBRN CC(NCc1ccc(F)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920450 557140978 /nfs/dbraw/zinc/14/09/78/557140978.db2.gz DTRZPUDSVLLPQZ-JWGURIENSA-N 0 0 442.519 5.250 40 10 IKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000103918201 557141011 /nfs/dbraw/zinc/14/10/11/557141011.db2.gz NZYFSVZRSKFCIT-SLMZUGIISA-N 0 0 437.587 6.275 40 10 IKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc(C)c1C ZINC000409389615 557142209 /nfs/dbraw/zinc/14/22/09/557142209.db2.gz CFOFEJZQHYKXQD-CFRMEGHHSA-N 0 0 427.573 5.098 40 10 IKCBRN Fc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408734736 557142453 /nfs/dbraw/zinc/14/24/53/557142453.db2.gz CRRXBTBBQHRVEJ-UHFFFAOYSA-N 0 0 448.526 7.037 40 10 IKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)c2C)cc1 ZINC000408735472 557142658 /nfs/dbraw/zinc/14/26/58/557142658.db2.gz SKVXWIJIUDDWCW-UHFFFAOYSA-N 0 0 449.576 6.045 40 10 IKCBRN CC1CCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 ZINC000408735327 557142667 /nfs/dbraw/zinc/14/26/67/557142667.db2.gz MZBQFASFFAJTHK-UHFFFAOYSA-N 0 0 437.568 6.485 40 10 IKCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409400900 557143231 /nfs/dbraw/zinc/14/32/31/557143231.db2.gz UXNMCXMMASCZGM-JCMHNJIXSA-N 0 0 441.918 5.113 40 10 IKCBRN S=C(Nc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408736009 557143517 /nfs/dbraw/zinc/14/35/17/557143517.db2.gz ZRDVHCKDCAEBMI-UHFFFAOYSA-N 0 0 430.536 6.898 40 10 IKCBRN C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1 ZINC000408736067 557143518 /nfs/dbraw/zinc/14/35/18/557143518.db2.gz CTYWIOSHQCYZNV-XHWIWGEHSA-N 0 0 445.562 7.884 40 10 IKCBRN Clc1cccc2c1N[C@@H](c1ccc(OCc3cccc4ccccc43)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736039 557143557 /nfs/dbraw/zinc/14/35/57/557143557.db2.gz BNXSNQFBWDNTFI-QQNWGBJXSA-N 0 0 437.970 7.899 40 10 IKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000408736069 557143577 /nfs/dbraw/zinc/14/35/77/557143577.db2.gz CVZLDBVFGNXGKX-CZSZKKDXSA-N 0 0 432.907 6.654 40 10 IKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736038 557143602 /nfs/dbraw/zinc/14/36/02/557143602.db2.gz BMRKWOSTMVRGPL-SLSDLSHTSA-N 0 0 439.511 5.909 40 10 IKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 ZINC000408736201 557143913 /nfs/dbraw/zinc/14/39/13/557143913.db2.gz KZJCTVKFHZUHHW-SLSDLSHTSA-N 0 0 432.907 6.654 40 10 IKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736447 557144209 /nfs/dbraw/zinc/14/42/09/557144209.db2.gz TWXHQLFMVSVOCK-UMFSSWHCSA-N 0 0 425.528 6.269 40 10 IKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736496 557144514 /nfs/dbraw/zinc/14/45/14/557144514.db2.gz WSAIOIVUAHSSCJ-DPLHUUCSSA-N 0 0 432.907 6.654 40 10 IKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Br)cc1 ZINC000408737699 557145006 /nfs/dbraw/zinc/14/50/06/557145006.db2.gz FTJWFJADYUMPOF-HYARGMPZSA-N 0 0 434.337 5.663 40 10 IKCBRN CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)c2ccc(F)cc2)cc1 ZINC000006135911 557145762 /nfs/dbraw/zinc/14/57/62/557145762.db2.gz TWIQUWWAAPTXNZ-MHZLTWQESA-N 0 0 437.518 6.036 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1C ZINC000408738050 557146102 /nfs/dbraw/zinc/14/61/02/557146102.db2.gz IIFWFVKQADQLRB-RCCKNPSSSA-N 0 0 430.345 6.537 40 10 IKCBRN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000408738342 557146714 /nfs/dbraw/zinc/14/67/14/557146714.db2.gz KDJNKXCEGOSXDU-SFQUDFHCSA-N 0 0 426.730 7.118 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 ZINC000408739474 557147749 /nfs/dbraw/zinc/14/77/49/557147749.db2.gz WPGQGSWOZCZBLQ-LTGZKZEYSA-N 0 0 430.345 6.483 40 10 IKCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)C=C2c2ccccc2)cc1 ZINC000408738987 557148113 /nfs/dbraw/zinc/14/81/13/557148113.db2.gz QVTNIVIBPCZQMN-RCCKNPSSSA-N 0 0 444.328 6.123 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3cc(Cl)cc(Br)c3OC(C)=O)C(=O)O2)cc1 ZINC000408740548 557149110 /nfs/dbraw/zinc/14/91/10/557149110.db2.gz CABAXACLNXEEOZ-VGOFMYFVSA-N 0 0 449.684 5.018 40 10 IKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)O2)cc1 ZINC000408740977 557149389 /nfs/dbraw/zinc/14/93/89/557149389.db2.gz GAVXVUJILHXTSW-DEDYPNTBSA-N 0 0 432.447 5.403 40 10 IKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408742764 557150782 /nfs/dbraw/zinc/15/07/82/557150782.db2.gz PTSISPZXTJLTCE-UKTHLTGXSA-N 0 0 428.227 6.143 40 10 IKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 ZINC000408739698 557151021 /nfs/dbraw/zinc/15/10/21/557151021.db2.gz ZPGOOLDECYQANY-QGOAFFKASA-N 0 0 447.288 5.829 40 10 IKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(F)c1 ZINC000408744132 557151454 /nfs/dbraw/zinc/15/14/54/557151454.db2.gz WWMWOPJUOCBWOZ-LPYMAVHISA-N 0 0 430.475 6.093 40 10 IKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408744628 557151930 /nfs/dbraw/zinc/15/19/30/557151930.db2.gz ZAAOTUUHOWKJPW-RVDMUPIBSA-N 0 0 438.233 5.599 40 10 IKCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106693922 557156021 /nfs/dbraw/zinc/15/60/21/557156021.db2.gz ONEKEPLIPTWGID-ZDLGFXPLSA-N 0 0 427.323 5.334 40 10 IKCBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1 ZINC000106706967 557158185 /nfs/dbraw/zinc/15/81/85/557158185.db2.gz UGFPBDSDSIFOBK-WQRHYEAKSA-N 0 0 431.355 5.060 40 10 IKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106724335 557159182 /nfs/dbraw/zinc/15/91/82/557159182.db2.gz NDUFMZMRCINHQT-UYRXBGFRSA-N 0 0 445.382 5.532 40 10 IKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408752002 557160490 /nfs/dbraw/zinc/16/04/90/557160490.db2.gz BFEXYIVBMYGPFI-KGENOOAVSA-N 0 0 433.851 5.091 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408752564 557160650 /nfs/dbraw/zinc/16/06/50/557160650.db2.gz BQTPMPYTAGQZRK-AQTBWJFISA-N 0 0 432.863 5.728 40 10 IKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408752194 557160718 /nfs/dbraw/zinc/16/07/18/557160718.db2.gz CATWTJVZNPHYFT-LDADJPATSA-N 0 0 443.753 5.999 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(Br)cc2)C1=O ZINC000408753328 557164311 /nfs/dbraw/zinc/16/43/11/557164311.db2.gz LYQKNRRNSLZTEW-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408753759 557165001 /nfs/dbraw/zinc/16/50/01/557165001.db2.gz CJYYHWSRIRFADB-RCCKNPSSSA-N 0 0 445.946 6.391 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408754328 557165945 /nfs/dbraw/zinc/16/59/45/557165945.db2.gz QFNGBLPIJGZOJC-XIEYBQDHSA-N 0 0 425.532 5.294 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408755710 557167707 /nfs/dbraw/zinc/16/77/07/557167707.db2.gz MKPYOMYXFWAQML-CIAFOILYSA-N 0 0 441.745 6.790 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408755766 557168027 /nfs/dbraw/zinc/16/80/27/557168027.db2.gz PEVNYXOLZTYELB-KGENOOAVSA-N 0 0 432.907 5.500 40 10 IKCBRN O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 ZINC000408756015 557168054 /nfs/dbraw/zinc/16/80/54/557168054.db2.gz XDRVZTGSHMJLJJ-XMHGGMMESA-N 0 0 430.916 6.095 40 10 IKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1cccc(C)c1C ZINC000408756639 557168703 /nfs/dbraw/zinc/16/87/03/557168703.db2.gz RTIARVQUPOXRDJ-LFVJCYFKSA-N 0 0 425.572 6.990 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 ZINC000408756498 557168753 /nfs/dbraw/zinc/16/87/53/557168753.db2.gz SKXDERPTOAIFSI-HYARGMPZSA-N 0 0 437.326 6.227 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408756692 557168762 /nfs/dbraw/zinc/16/87/62/557168762.db2.gz SJUYWLDUNZVSGC-LFVJCYFKSA-N 0 0 426.878 6.467 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000408756795 557169167 /nfs/dbraw/zinc/16/91/67/557169167.db2.gz XIJPBOULDIGHMH-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)ccc1Cl ZINC000408757309 557169367 /nfs/dbraw/zinc/16/93/67/557169367.db2.gz LWKMPCVEYOHYRJ-FYJGNVAPSA-N 0 0 434.927 5.266 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc(Br)cc2)C1=O ZINC000408757789 557170168 /nfs/dbraw/zinc/17/01/68/557170168.db2.gz CBOOYLDKPZPGKZ-HMMYKYKNSA-N 0 0 433.305 5.292 40 10 IKCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2cc(Cl)ccc2Cl)N=C1C ZINC000408757877 557170632 /nfs/dbraw/zinc/17/06/32/557170632.db2.gz RFVQTMLNLXRXIR-UDWIEESQSA-N 0 0 439.346 5.910 40 10 IKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)c1 ZINC000408757950 557170928 /nfs/dbraw/zinc/17/09/28/557170928.db2.gz DYTRNBGLSAMNFO-HMMYKYKNSA-N 0 0 428.944 6.698 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(C)cc2)C1=O ZINC000408758666 557172890 /nfs/dbraw/zinc/17/28/90/557172890.db2.gz OURCVENMSGPZOV-RCCKNPSSSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(C)c2)cc1 ZINC000408758607 557172977 /nfs/dbraw/zinc/17/29/77/557172977.db2.gz NQBOPJIBJCALPA-LPYMAVHISA-N 0 0 437.326 6.145 40 10 IKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408760900 557174503 /nfs/dbraw/zinc/17/45/03/557174503.db2.gz ARUOJHZCOORYDV-LFVJCYFKSA-N 0 0 426.878 6.467 40 10 IKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408760803 557174582 /nfs/dbraw/zinc/17/45/82/557174582.db2.gz ABGUGBUCLQJTNH-KGENOOAVSA-N 0 0 432.907 5.500 40 10 IKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2cccc(C)c2)cc1 ZINC000408761740 557175924 /nfs/dbraw/zinc/17/59/24/557175924.db2.gz HFIKWDPMQFEQKG-ZXVVBBHZSA-N 0 0 432.523 6.381 40 10 IKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408762950 557176031 /nfs/dbraw/zinc/17/60/31/557176031.db2.gz MAJBUFLXGUOAIN-XSFVSMFZSA-N 0 0 446.934 6.837 40 10 IKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 ZINC000408762093 557176319 /nfs/dbraw/zinc/17/63/19/557176319.db2.gz MWRZCKCQDHGFIP-DEDYPNTBSA-N 0 0 437.268 5.128 40 10 IKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4ccccc4c3)C2=O)cc1 ZINC000408762315 557176616 /nfs/dbraw/zinc/17/66/16/557176616.db2.gz DPCHWLDCIQCVRE-KQWNVCNZSA-N 0 0 437.926 6.973 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408759459 557177576 /nfs/dbraw/zinc/17/75/76/557177576.db2.gz FIMCXILESBDZEO-CJLVFECKSA-N 0 0 447.332 5.682 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408763397 557178586 /nfs/dbraw/zinc/17/85/86/557178586.db2.gz NVRJLQVONTYQPW-CIAFOILYSA-N 0 0 425.290 6.275 40 10 IKCBRN COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)c1 ZINC000408763450 557179100 /nfs/dbraw/zinc/17/91/00/557179100.db2.gz FHINQDWVRDSGCD-HYARGMPZSA-N 0 0 447.332 5.601 40 10 IKCBRN COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408763768 557181328 /nfs/dbraw/zinc/18/13/28/557181328.db2.gz JYNMZPGALWRDSZ-CPNJWEJPSA-N 0 0 439.334 5.354 40 10 IKCBRN C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000218203082 557181805 /nfs/dbraw/zinc/18/18/05/557181805.db2.gz KSCYXYIAVNJZDZ-QGZVFWFLSA-N 0 0 435.008 5.826 40 10 IKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000408763949 557182093 /nfs/dbraw/zinc/18/20/93/557182093.db2.gz GVRHRMMLLPELIU-XSFVSMFZSA-N 0 0 448.276 5.192 40 10 IKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1 ZINC000408764825 557182695 /nfs/dbraw/zinc/18/26/95/557182695.db2.gz VRJSALAATFVZFB-PXLXIMEGSA-N 0 0 430.891 5.270 40 10 IKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408764908 557182725 /nfs/dbraw/zinc/18/27/25/557182725.db2.gz NSDSDCWAPCIHQM-XQNSMLJCSA-N 0 0 432.907 5.582 40 10 IKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408764838 557182788 /nfs/dbraw/zinc/18/27/88/557182788.db2.gz NKAAWFNMXOAGTA-YBFXNURJSA-N 0 0 437.282 5.557 40 10 IKCBRN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1 ZINC000408764666 557182847 /nfs/dbraw/zinc/18/28/47/557182847.db2.gz MUWOLDGHSMUPDD-CPNJWEJPSA-N 0 0 447.918 5.837 40 10 IKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccccc1 ZINC000408765815 557188701 /nfs/dbraw/zinc/18/87/01/557188701.db2.gz QNKFEJIKZBMEBG-XSFVSMFZSA-N 0 0 437.724 5.937 40 10 IKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408766876 557188971 /nfs/dbraw/zinc/18/89/71/557188971.db2.gz TZUCSLNPWMLVLN-PXLXIMEGSA-N 0 0 431.333 5.900 40 10 IKCBRN CSc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 ZINC000408767168 557189014 /nfs/dbraw/zinc/18/90/14/557189014.db2.gz JMXZANHNSHSSFD-HMMYKYKNSA-N 0 0 428.513 6.096 40 10 IKCBRN CC[C@@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408767360 557189283 /nfs/dbraw/zinc/18/92/83/557189283.db2.gz ZWXSUNGBXUBDTK-URPBSQGJSA-N 0 0 443.974 7.333 40 10 IKCBRN COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccccc2)C1=O ZINC000408767601 557189426 /nfs/dbraw/zinc/18/94/26/557189426.db2.gz YWPVKHOPEBFWJU-XDJHFCHBSA-N 0 0 444.943 6.398 40 10 IKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408767687 557189738 /nfs/dbraw/zinc/18/97/38/557189738.db2.gz ZZRJATUUJPMJOE-DEDYPNTBSA-N 0 0 439.259 5.562 40 10 IKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 ZINC000408777851 557202497 /nfs/dbraw/zinc/20/24/97/557202497.db2.gz KGRXGWHCUUKOTH-IBYCJETLSA-N 0 0 431.605 5.873 40 10 IKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 ZINC000408781307 557203457 /nfs/dbraw/zinc/20/34/57/557203457.db2.gz CAQCLWJPTSEBHB-HKOYGPOVSA-N 0 0 438.527 6.717 40 10 IKCBRN CCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OCC ZINC000408787489 557206325 /nfs/dbraw/zinc/20/63/25/557206325.db2.gz AVKHSXBLQORAKV-ZSYKKXJESA-N 0 0 449.547 5.308 40 10 IKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000038194841 557207377 /nfs/dbraw/zinc/20/73/77/557207377.db2.gz ZKNYYOPCEOFAKC-CPNJWEJPSA-N 0 0 445.902 5.939 40 10 IKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000038198049 557207630 /nfs/dbraw/zinc/20/76/30/557207630.db2.gz OGTOKMMHLBCKSR-NDENLUEZSA-N 0 0 430.932 5.624 40 10 IKCBRN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218607352 557210021 /nfs/dbraw/zinc/21/00/21/557210021.db2.gz OEQHWTBMNZWZLS-FGZHOGPDSA-N 0 0 444.644 6.706 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218607419 557210069 /nfs/dbraw/zinc/21/00/69/557210069.db2.gz OEQHWTBMNZWZLS-YADHBBJMSA-N 0 0 444.644 6.706 40 10 IKCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1 ZINC000408798337 557212698 /nfs/dbraw/zinc/21/26/98/557212698.db2.gz DQVXUYYCYBDVKZ-UHFFFAOYSA-N 0 0 432.569 5.483 40 10 IKCBRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl ZINC000218713364 557213253 /nfs/dbraw/zinc/21/32/53/557213253.db2.gz OIYLJGYKYMYUBH-VQTJNVASSA-N 0 0 429.004 5.838 40 10 IKCBRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br ZINC000218828834 557217642 /nfs/dbraw/zinc/21/76/42/557217642.db2.gz WUTIBJCFISAVJT-AEFFLSMTSA-N 0 0 445.401 5.250 40 10 IKCBRN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218978970 557221959 /nfs/dbraw/zinc/22/19/59/557221959.db2.gz JCBZEQJWAKMBFZ-QFIPXVFZSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218987525 557222224 /nfs/dbraw/zinc/22/22/24/557222224.db2.gz ABLUZJGRNXRVRJ-YADHBBJMSA-N 0 0 428.576 5.993 40 10 IKCBRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219005440 557222810 /nfs/dbraw/zinc/22/28/10/557222810.db2.gz LNWXAQKICGCUKN-QHCPKHFHSA-N 0 0 426.604 6.199 40 10 IKCBRN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000040847114 557232290 /nfs/dbraw/zinc/23/22/90/557232290.db2.gz NXFYCXGQNFXSCJ-ZSOIEALJSA-N 0 0 428.735 5.647 40 10 IKCBRN CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OCC ZINC000219279183 557235109 /nfs/dbraw/zinc/23/51/09/557235109.db2.gz DGZCRGQFXHUYNI-NRFANRHFSA-N 0 0 438.612 5.530 40 10 IKCBRN CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000219279322 557235133 /nfs/dbraw/zinc/23/51/33/557235133.db2.gz ZWGQCLBHOLILTP-NHCUHLMSSA-N 0 0 438.612 5.530 40 10 IKCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000112292492 557239239 /nfs/dbraw/zinc/23/92/39/557239239.db2.gz 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/nfs/dbraw/zinc/32/34/18/557323418.db2.gz YDAIJSJRCCZXEH-DQRAZIAOSA-N 0 0 442.513 6.550 40 10 IKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC000013566439 557344585 /nfs/dbraw/zinc/34/45/85/557344585.db2.gz FBTHOIWKPYFFJK-UHFFFAOYSA-N 0 0 442.294 5.129 40 10 IKCBRN O=C1/C(=C/c2c3ccccc3[nH]c2-c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000013573488 557348457 /nfs/dbraw/zinc/34/84/57/557348457.db2.gz GJMQIZJLFDTDFV-JCMHNJIXSA-N 0 0 426.566 6.236 40 10 IKCBRN CCn1c(Cl)nc2cc(C(=O)N(Cc3cc(C)n(-c4ccccc4)c3C)C(C)C)ccc21 ZINC000222556448 557351246 /nfs/dbraw/zinc/35/12/46/557351246.db2.gz LCEBAFCVBNLFQD-UHFFFAOYSA-N 0 0 448.998 6.168 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000102585528 557355751 /nfs/dbraw/zinc/35/57/51/557355751.db2.gz AJDDANDQSWYCMI-BUVRLJJBSA-N 0 0 425.919 6.149 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cc(Cl)ccc1C ZINC000222619799 557363151 /nfs/dbraw/zinc/36/31/51/557363151.db2.gz JLYLNPTXAPLXNM-PBNUPURSSA-N 0 0 437.012 6.040 40 10 IKCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000222629485 557365226 /nfs/dbraw/zinc/36/52/26/557365226.db2.gz DEZNGKKCSTVOCW-UHFFFAOYSA-N 0 0 448.438 5.368 40 10 IKCBRN C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222694907 557374845 /nfs/dbraw/zinc/37/48/45/557374845.db2.gz KCJUXTFAONKIJO-IBGZPJMESA-N 0 0 431.045 6.326 40 10 IKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 ZINC000222697241 557375159 /nfs/dbraw/zinc/37/51/59/557375159.db2.gz GBSFSEJTVGCJNS-PDIWNELESA-N 0 0 437.012 6.122 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 ZINC000222700383 557375785 /nfs/dbraw/zinc/37/57/85/557375785.db2.gz AMZQPMQIVMEBCH-UKDVSSAZSA-N 0 0 445.636 5.535 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 ZINC000222700710 557375793 /nfs/dbraw/zinc/37/57/93/557375793.db2.gz UHOYKPULZNYVTL-BUUDZMLXSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 ZINC000222700804 557375815 /nfs/dbraw/zinc/37/58/15/557375815.db2.gz NFAFOEULHVJDBZ-DCEDVJGZSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222699388 557375829 /nfs/dbraw/zinc/37/58/29/557375829.db2.gz MMCNJHRNFCOQIE-PUZWTLIVSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 ZINC000222699306 557375863 /nfs/dbraw/zinc/37/58/63/557375863.db2.gz JXKDGJOTPSZTDE-NTUVXCKYSA-N 0 0 432.593 5.477 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 ZINC000222700649 557375872 /nfs/dbraw/zinc/37/58/72/557375872.db2.gz UHOYKPULZNYVTL-NIJXNBFTSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 ZINC000222701493 557376127 /nfs/dbraw/zinc/37/61/27/557376127.db2.gz HKTCNSPIYPBMAI-NIJXNBFTSA-N 0 0 430.621 6.085 40 10 IKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 ZINC000222700931 557376139 /nfs/dbraw/zinc/37/61/39/557376139.db2.gz NFAFOEULHVJDBZ-NIJXNBFTSA-N 0 0 430.621 6.085 40 10 IKCBRN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616587 557378129 /nfs/dbraw/zinc/37/81/29/557378129.db2.gz IKGQRFWXNVPSIE-UZLBHIALSA-N 0 0 427.323 5.459 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000222725259 557379509 /nfs/dbraw/zinc/37/95/09/557379509.db2.gz JHSTYVPSWBDGRY-VQTJNVASSA-N 0 0 430.499 5.110 40 10 IKCBRN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013601379 557380518 /nfs/dbraw/zinc/38/05/18/557380518.db2.gz GJJCCABKDVQQRZ-PGMHBOJBSA-N 0 0 429.903 5.988 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000222743874 557381906 /nfs/dbraw/zinc/38/19/06/557381906.db2.gz CQOMGKGCLIZZDN-PMACEKPBSA-N 0 0 431.392 5.398 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000222772282 557385033 /nfs/dbraw/zinc/38/50/33/557385033.db2.gz ZAPCYLMJHUUDAN-SFTDATJTSA-N 0 0 427.017 5.359 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222781214 557386558 /nfs/dbraw/zinc/38/65/58/557386558.db2.gz BLIWCGSLZYVJJJ-JWQCQUIFSA-N 0 0 426.589 5.635 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000222781087 557386563 /nfs/dbraw/zinc/38/65/63/557386563.db2.gz BLIWCGSLZYVJJJ-RPBOFIJWSA-N 0 0 426.589 5.635 40 10 IKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 ZINC000222788565 557387089 /nfs/dbraw/zinc/38/70/89/557387089.db2.gz PIFBDGOOAPETKQ-DQEYMECFSA-N 0 0 447.652 5.328 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000222788968 557387118 /nfs/dbraw/zinc/38/71/18/557387118.db2.gz UCHRVOURDFNBRV-RTWAWAEBSA-N 0 0 445.419 5.788 40 10 IKCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222790905 557387273 /nfs/dbraw/zinc/38/72/73/557387273.db2.gz HQTFDNBTNLIRLU-FCHUYYIVSA-N 0 0 425.001 5.443 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000222792326 557387327 /nfs/dbraw/zinc/38/73/27/557387327.db2.gz SYGLZJGBMQNHRR-FGZHOGPDSA-N 0 0 441.000 5.144 40 10 IKCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000222790850 557387343 /nfs/dbraw/zinc/38/73/43/557387343.db2.gz HQTFDNBTNLIRLU-YADHBBJMSA-N 0 0 425.001 5.443 40 10 IKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)cc21 ZINC000222817220 557389843 /nfs/dbraw/zinc/38/98/43/557389843.db2.gz VJEGXGJRFFIKAG-FGZHOGPDSA-N 0 0 441.044 5.748 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O ZINC000222821715 557390440 /nfs/dbraw/zinc/39/04/40/557390440.db2.gz AFPJGWPMWMOHOB-VXKWHMMOSA-N 0 0 441.000 5.229 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1C ZINC000222835353 557391570 /nfs/dbraw/zinc/39/15/70/557391570.db2.gz GMRQUPKNLQDCHM-DHIUTWEWSA-N 0 0 439.028 5.832 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000222862300 557395514 /nfs/dbraw/zinc/39/55/14/557395514.db2.gz OVKVSWIAFFBOTG-YADHBBJMSA-N 0 0 441.044 5.749 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222866457 557395808 /nfs/dbraw/zinc/39/58/08/557395808.db2.gz LHDLFFPUQOYBFD-YADHBBJMSA-N 0 0 441.000 5.231 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222866395 557395848 /nfs/dbraw/zinc/39/58/48/557395848.db2.gz LHDLFFPUQOYBFD-VXKWHMMOSA-N 0 0 441.000 5.231 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000222874052 557396331 /nfs/dbraw/zinc/39/63/31/557396331.db2.gz YTYBKBREKSJABO-VXKWHMMOSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000222874442 557396708 /nfs/dbraw/zinc/39/67/08/557396708.db2.gz KMEGLCMXMUVWBD-FCHUYYIVSA-N 0 0 425.001 5.525 40 10 IKCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000222874633 557396720 /nfs/dbraw/zinc/39/67/20/557396720.db2.gz HEQCWEIEJSUSGD-YADHBBJMSA-N 0 0 425.001 5.525 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S ZINC000033430135 557397311 /nfs/dbraw/zinc/39/73/11/557397311.db2.gz DNLARDRKCNVGKR-QNGOZBTKSA-N 0 0 427.591 5.372 40 10 IKCBRN Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000033430165 557397327 /nfs/dbraw/zinc/39/73/27/557397327.db2.gz SZQHGNMEVMCJOT-MOSHPQCFSA-N 0 0 448.009 5.636 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222881532 557397475 /nfs/dbraw/zinc/39/74/75/557397475.db2.gz RITGKMNDZIXQJC-XZOQPEGZSA-N 0 0 439.028 5.833 40 10 IKCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000222881407 557397481 /nfs/dbraw/zinc/39/74/81/557397481.db2.gz RITGKMNDZIXQJC-GOTSBHOMSA-N 0 0 439.028 5.833 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C ZINC000222918561 557402598 /nfs/dbraw/zinc/40/25/98/557402598.db2.gz FOCWWRXNRKYHCX-DQEYMECFSA-N 0 0 432.637 5.680 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 ZINC000222918829 557402633 /nfs/dbraw/zinc/40/26/33/557402633.db2.gz UHAQPZDHJYOUPH-DQEYMECFSA-N 0 0 432.637 5.680 40 10 IKCBRN Cc1ccc(Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2cccc(N)c2)cc1 ZINC000013998995 557402912 /nfs/dbraw/zinc/40/29/12/557402912.db2.gz WUGNFWVJPDBMFJ-UHFFFAOYSA-N 0 0 446.551 5.359 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 ZINC000222921829 557403121 /nfs/dbraw/zinc/40/31/21/557403121.db2.gz OOUWBKCZBRBBCN-DNQXCXABSA-N 0 0 434.609 5.126 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222923195 557403415 /nfs/dbraw/zinc/40/34/15/557403415.db2.gz ZZUCHADNVQAHLC-RPBOFIJWSA-N 0 0 447.652 5.184 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222923302 557403428 /nfs/dbraw/zinc/40/34/28/557403428.db2.gz ZZUCHADNVQAHLC-DQEYMECFSA-N 0 0 447.652 5.184 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000222925074 557403651 /nfs/dbraw/zinc/40/36/51/557403651.db2.gz ZSZJRTLNRFRRNO-DQEYMECFSA-N 0 0 432.637 5.734 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1c(C)cc(C)cc1C ZINC000222925424 557403916 /nfs/dbraw/zinc/40/39/16/557403916.db2.gz GYRSQYSLQWCBQC-AOYPEHQESA-N 0 0 446.664 6.043 40 10 IKCBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222938027 557405561 /nfs/dbraw/zinc/40/55/61/557405561.db2.gz NVMZVYUVPLPGQB-SWYRRKHMSA-N 0 0 436.640 6.255 40 10 IKCBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222937793 557405598 /nfs/dbraw/zinc/40/55/98/557405598.db2.gz PNZIDHDSCUSQIB-QFQXNSOFSA-N 0 0 436.640 6.255 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C ZINC000222963560 557408797 /nfs/dbraw/zinc/40/87/97/557408797.db2.gz GMEZPMAWOOFOPK-LOSJGSFVSA-N 0 0 432.637 5.824 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222966624 557408947 /nfs/dbraw/zinc/40/89/47/557408947.db2.gz BHADTTMYQOCMRW-RPWUZVMVSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222966734 557409056 /nfs/dbraw/zinc/40/90/56/557409056.db2.gz BHADTTMYQOCMRW-DNQXCXABSA-N 0 0 434.609 5.270 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000222968965 557409546 /nfs/dbraw/zinc/40/95/46/557409546.db2.gz YMTHHKILMFZSBF-LOSJGSFVSA-N 0 0 432.637 5.879 40 10 IKCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000222969660 557409554 /nfs/dbraw/zinc/40/95/54/557409554.db2.gz CEETWIJNBKDDCX-DQEYMECFSA-N 0 0 432.637 5.879 40 10 IKCBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223031416 557418112 /nfs/dbraw/zinc/41/81/12/557418112.db2.gz MRZKFMSAGUXAQE-DVECYGJZSA-N 0 0 429.004 5.920 40 10 IKCBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223031292 557418164 /nfs/dbraw/zinc/41/81/64/557418164.db2.gz MRZKFMSAGUXAQE-CYFREDJKSA-N 0 0 429.004 5.920 40 10 IKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 ZINC000223052294 557421902 /nfs/dbraw/zinc/42/19/02/557421902.db2.gz LCKDNCRRLTUFOL-RPBOFIJWSA-N 0 0 448.636 5.061 40 10 IKCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223058745 557423183 /nfs/dbraw/zinc/42/31/83/557423183.db2.gz YCMJVWMXFOYGJA-JWQCQUIFSA-N 0 0 448.636 5.115 40 10 IKCBRN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000014165814 557425267 /nfs/dbraw/zinc/42/52/67/557425267.db2.gz SVHXYMJIAJCGJA-VBHSOAQHSA-N 0 0 442.127 6.425 40 10 IKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 ZINC000223085129 557428835 /nfs/dbraw/zinc/42/88/35/557428835.db2.gz RRXCWULYLXFHOG-JWQCQUIFSA-N 0 0 446.664 6.019 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C ZINC000223094690 557430577 /nfs/dbraw/zinc/43/05/77/557430577.db2.gz ZLIXWXLEUUZJDC-UIOOFZCWSA-N 0 0 444.648 6.103 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O ZINC000223098447 557431063 /nfs/dbraw/zinc/43/10/63/557431063.db2.gz WYLROHGWWMZNCF-RPBOFIJWSA-N 0 0 446.620 5.500 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C)cn1 ZINC000223105421 557432069 /nfs/dbraw/zinc/43/20/69/557432069.db2.gz YINWOIPFROXWKK-LOSJGSFVSA-N 0 0 445.636 5.498 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223121074 557434378 /nfs/dbraw/zinc/43/43/78/557434378.db2.gz QTTFCDPUDXDGOA-RPBOFIJWSA-N 0 0 446.620 5.495 40 10 IKCBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223199735 557445169 /nfs/dbraw/zinc/44/51/69/557445169.db2.gz IXFXBXXOHOILLK-ZBLYBZFDSA-N 0 0 434.624 5.837 40 10 IKCBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000223199614 557445192 /nfs/dbraw/zinc/44/51/92/557445192.db2.gz IXFXBXXOHOILLK-IDISGSTGSA-N 0 0 434.624 5.837 40 10 IKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414325 557445369 /nfs/dbraw/zinc/44/53/69/557445369.db2.gz MZKLCYKHQUKRCP-PLRJNAJWSA-N 0 0 439.511 5.394 40 10 IKCBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000014413801 557445386 /nfs/dbraw/zinc/44/53/86/557445386.db2.gz ZRZUDGMEVUIWJY-ZROIWOOFSA-N 0 0 439.792 5.375 40 10 IKCBRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000223307333 557457442 /nfs/dbraw/zinc/45/74/42/557457442.db2.gz PRGBOYHSSURDOK-KRWDZBQOSA-N 0 0 435.008 5.826 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C ZINC000223343082 557460642 /nfs/dbraw/zinc/46/06/42/557460642.db2.gz PMYIYZBHALOIHH-JWQCQUIFSA-N 0 0 442.588 5.563 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F ZINC000223344735 557460800 /nfs/dbraw/zinc/46/08/00/557460800.db2.gz IXOZCEQGNHPEOB-BJKOFHAPSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000223345203 557460855 /nfs/dbraw/zinc/46/08/55/557460855.db2.gz POZBHOAIFYTJPA-RPWUZVMVSA-N 0 0 446.551 5.394 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000223458051 557474339 /nfs/dbraw/zinc/47/43/39/557474339.db2.gz POESCYLHAQPPMQ-JWQCQUIFSA-N 0 0 439.588 5.057 40 10 IKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223487870 557478425 /nfs/dbraw/zinc/47/84/25/557478425.db2.gz XICKPXMNEXOMAJ-DORSJAEJSA-N 0 0 442.581 5.085 40 10 IKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21 ZINC000223490932 557478784 /nfs/dbraw/zinc/47/87/84/557478784.db2.gz FIKBDGUJMDDFNJ-RGVLZGJSSA-N 0 0 442.581 5.085 40 10 IKCBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223495823 557479305 /nfs/dbraw/zinc/47/93/05/557479305.db2.gz QKBXURWTSFYAPG-UCQKPKSFSA-N 0 0 429.564 5.498 40 10 IKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223516451 557481320 /nfs/dbraw/zinc/48/13/20/557481320.db2.gz PEOVIEIBXKYEOG-RGVLZGJSSA-N 0 0 442.581 5.005 40 10 IKCBRN Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1 ZINC000223521163 557481945 /nfs/dbraw/zinc/48/19/45/557481945.db2.gz ZMHFWAQLHPIRLG-OYKKKHCWSA-N 0 0 443.591 5.807 40 10 IKCBRN CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223539604 557483246 /nfs/dbraw/zinc/48/32/46/557483246.db2.gz BATHUNXWPSNHAN-GLFIFPSUSA-N 0 0 438.568 6.174 40 10 IKCBRN CC(Nc1ccc(C)c(C)c1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017094839 557485246 /nfs/dbraw/zinc/48/52/46/557485246.db2.gz OFASHJKKYXYLJX-NKFKGCMQSA-N 0 0 426.476 5.349 40 10 IKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017094845 557485300 /nfs/dbraw/zinc/48/53/00/557485300.db2.gz SNMFZVNASDKPRH-QJOMJCCJSA-N 0 0 426.476 5.294 40 10 IKCBRN CCN1c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223584627 557488915 /nfs/dbraw/zinc/48/89/15/557488915.db2.gz HVKVFBUIKYPYIK-CPEHUTGBSA-N 0 0 436.646 6.513 40 10 IKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223613397 557491851 /nfs/dbraw/zinc/49/18/51/557491851.db2.gz PIECXKZCPLFOBZ-PVFDWLMNSA-N 0 0 434.605 6.737 40 10 IKCBRN C[C@@H]1C[C@H](C)CN(c2nc3nc4c(c(-c5ccccc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1 ZINC000018077469 557496209 /nfs/dbraw/zinc/49/62/09/557496209.db2.gz FOMBPVXTFRBSTB-IYBDPMFKSA-N 0 0 436.515 5.091 40 10 IKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 ZINC000223780303 557512283 /nfs/dbraw/zinc/51/22/83/557512283.db2.gz HZBCVSHQKMBVBU-DQEYMECFSA-N 0 0 440.572 5.366 40 10 IKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223953150 557533520 /nfs/dbraw/zinc/53/35/20/557533520.db2.gz XTDBWLQGVRFNEJ-UHFFFAOYSA-N 0 0 443.620 5.253 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000224165413 557569345 /nfs/dbraw/zinc/56/93/45/557569345.db2.gz PUOFMNFAXHAGBZ-JWQCQUIFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000224165338 557569356 /nfs/dbraw/zinc/56/93/56/557569356.db2.gz WADNPAUUJKIUKX-DQEYMECFSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000224165464 557569381 /nfs/dbraw/zinc/56/93/81/557569381.db2.gz PUOFMNFAXHAGBZ-RPBOFIJWSA-N 0 0 442.563 5.805 40 10 IKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000224173001 557570264 /nfs/dbraw/zinc/57/02/64/557570264.db2.gz ZZWGGCOAFKCPJD-RPBOFIJWSA-N 0 0 439.588 5.370 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224187007 557572722 /nfs/dbraw/zinc/57/27/22/557572722.db2.gz JFQUKYAIPRMWFI-RPBOFIJWSA-N 0 0 440.572 5.366 40 10 IKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224186961 557572724 /nfs/dbraw/zinc/57/27/24/557572724.db2.gz JFQUKYAIPRMWFI-JWQCQUIFSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000224285481 557585823 /nfs/dbraw/zinc/58/58/23/557585823.db2.gz HKKLHOSDHKERKM-UIOOFZCWSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000224320380 557590864 /nfs/dbraw/zinc/59/08/64/557590864.db2.gz XAFDEBNAFKUTBO-FTJBHMTQSA-N 0 0 438.600 5.975 40 10 IKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 ZINC000224416589 557603902 /nfs/dbraw/zinc/60/39/02/557603902.db2.gz DQIHYZQUKVTYBX-BJKOFHAPSA-N 0 0 428.536 5.497 40 10 IKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 ZINC000224416553 557603979 /nfs/dbraw/zinc/60/39/79/557603979.db2.gz DQIHYZQUKVTYBX-RPWUZVMVSA-N 0 0 428.536 5.497 40 10 IKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 ZINC000224449971 557607362 /nfs/dbraw/zinc/60/73/62/557607362.db2.gz QWBALFXTCDIIPV-DNQXCXABSA-N 0 0 428.536 5.497 40 10 IKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000224480982 557610929 /nfs/dbraw/zinc/61/09/29/557610929.db2.gz HEASEZBLZRPDNX-ZEQRLZLVSA-N 0 0 444.991 6.011 40 10 IKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 ZINC000224550695 557621392 /nfs/dbraw/zinc/62/13/92/557621392.db2.gz CORXCINIKYYGPJ-JWQCQUIFSA-N 0 0 440.572 5.366 40 10 IKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000224586537 557627591 /nfs/dbraw/zinc/62/75/91/557627591.db2.gz RSHYSMRJGGIOFW-RPBOFIJWSA-N 0 0 440.572 5.366 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000225014309 557677905 /nfs/dbraw/zinc/67/79/05/557677905.db2.gz CKVJZCVOSKYVBS-LOSJGSFVSA-N 0 0 430.621 5.713 40 10 IKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225014701 557677913 /nfs/dbraw/zinc/67/79/13/557677913.db2.gz CTKIPRASXOHFPI-UIOOFZCWSA-N 0 0 444.648 5.967 40 10 IKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 ZINC000225015172 557678106 /nfs/dbraw/zinc/67/81/06/557678106.db2.gz VVTYFBBXHOEWSI-BJKOFHAPSA-N 0 0 434.584 5.543 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1C ZINC000225018357 557678412 /nfs/dbraw/zinc/67/84/12/557678412.db2.gz COLWLRWQWTZKMQ-CLJLJLNGSA-N 0 0 444.648 6.021 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 ZINC000225016895 557678461 /nfs/dbraw/zinc/67/84/61/557678461.db2.gz FBGQTGUQRHJQBS-RPBOFIJWSA-N 0 0 446.620 5.413 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 ZINC000225016856 557678475 /nfs/dbraw/zinc/67/84/75/557678475.db2.gz FBGQTGUQRHJQBS-JWQCQUIFSA-N 0 0 446.620 5.413 40 10 IKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 ZINC000225016940 557678479 /nfs/dbraw/zinc/67/84/79/557678479.db2.gz FBGQTGUQRHJQBS-LOSJGSFVSA-N 0 0 446.620 5.413 40 10 IKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C)c1C ZINC000225018471 557678489 /nfs/dbraw/zinc/67/84/89/557678489.db2.gz COLWLRWQWTZKMQ-UIOOFZCWSA-N 0 0 444.648 6.021 40 10 IKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C)cn1 ZINC000225021103 557678943 /nfs/dbraw/zinc/67/89/43/557678943.db2.gz LPKZYNGEFPSGPW-DNQXCXABSA-N 0 0 431.609 5.108 40 10 IKCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000225655627 557757412 /nfs/dbraw/zinc/75/74/12/557757412.db2.gz SBXUAQGEIBXSPH-SFHVURJKSA-N 0 0 425.598 5.066 40 10 IKCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225655340 557757456 /nfs/dbraw/zinc/75/74/56/557757456.db2.gz QSSNJWBSRVTMPJ-GOSISDBHSA-N 0 0 425.598 5.066 40 10 IKCBRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl ZINC000225655895 557757511 /nfs/dbraw/zinc/75/75/11/557757511.db2.gz FRLQZIFWVHBECQ-INIZCTEOSA-N 0 0 446.016 5.411 40 10 IKCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000225656205 557757680 /nfs/dbraw/zinc/75/76/80/557757680.db2.gz CIHRZUJMEFCTTG-IBGZPJMESA-N 0 0 439.625 5.456 40 10 IKCBRN C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667765 557759846 /nfs/dbraw/zinc/75/98/46/557759846.db2.gz DOOOULMMVZWMPQ-HZPDHXFCSA-N 0 0 432.431 5.733 40 10 IKCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225669226 557760161 /nfs/dbraw/zinc/76/01/61/557760161.db2.gz CAAXYJBUCCXMKU-SJLPKXTDSA-N 0 0 425.598 5.066 40 10 IKCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225669538 557760356 /nfs/dbraw/zinc/76/03/56/557760356.db2.gz RVUBLMRHXMVTPT-SJLPKXTDSA-N 0 0 425.598 5.066 40 10 IKCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670329 557760543 /nfs/dbraw/zinc/76/05/43/557760543.db2.gz DPELDEDPWLFOQJ-MJGOQNOKSA-N 0 0 439.625 5.456 40 10 IKCBRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670363 557760560 /nfs/dbraw/zinc/76/05/60/557760560.db2.gz DPELDEDPWLFOQJ-IEBWSBKVSA-N 0 0 439.625 5.456 40 10 IKCBRN C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671254 557760603 /nfs/dbraw/zinc/76/06/03/557760603.db2.gz DWIPCJOVSVZERK-RTBURBONSA-N 0 0 436.625 5.097 40 10 IKCBRN C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 ZINC000225694850 557765126 /nfs/dbraw/zinc/76/51/26/557765126.db2.gz PCEFBJPCFFVYLX-ZDUSSCGKSA-N 0 0 427.923 6.007 40 10 IKCBRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc2c1 ZINC000225727264 557769389 /nfs/dbraw/zinc/76/93/89/557769389.db2.gz GFTSLADPYHAKAU-IBGZPJMESA-N 0 0 438.593 5.124 40 10 IKCBRN CCOC(=O)c1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1Cl ZINC000225734620 557770455 /nfs/dbraw/zinc/77/04/55/557770455.db2.gz FXUDCTIFRCGHOM-UHFFFAOYSA-N 0 0 434.005 5.028 40 10 IKCBRN C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225779654 557776981 /nfs/dbraw/zinc/77/69/81/557776981.db2.gz YDSFYWHGILVBOB-FQEVSTJZSA-N 0 0 448.994 6.400 40 10 IKCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1 ZINC000225779904 557777197 /nfs/dbraw/zinc/77/71/97/557777197.db2.gz OENDBBBRAWFONM-FQEVSTJZSA-N 0 0 448.994 6.085 40 10 IKCBRN CCN(CCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000225793272 557778324 /nfs/dbraw/zinc/77/83/24/557778324.db2.gz SDGWFNIFPJJNOK-UHFFFAOYSA-N 0 0 435.662 6.100 40 10 IKCBRN COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3nc(Cl)sc3c2)c1C ZINC000225985651 557799089 /nfs/dbraw/zinc/79/90/89/557799089.db2.gz HSURMFJMPXUNCY-UHFFFAOYSA-N 0 0 439.968 5.638 40 10 IKCBRN COc1cc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc(OC)c1OC ZINC000033342784 557807175 /nfs/dbraw/zinc/80/71/75/557807175.db2.gz UAZNQEKTYMCBSQ-CPNJWEJPSA-N 0 0 430.456 5.486 40 10 IKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 ZINC000033706997 557809130 /nfs/dbraw/zinc/80/91/30/557809130.db2.gz ZCSWUXDVXFQMCF-BUVRLJJBSA-N 0 0 446.641 6.532 40 10 IKCBRN CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S ZINC000033748248 557809451 /nfs/dbraw/zinc/80/94/51/557809451.db2.gz RBIKZJWPBAQJTR-ZDLGFXPLSA-N 0 0 437.945 5.288 40 10 IKCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000033757700 557810753 /nfs/dbraw/zinc/81/07/53/557810753.db2.gz ONBVQBUITBHGTA-OQLLNIDSSA-N 0 0 440.771 5.517 40 10 IKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058847182 557811826 /nfs/dbraw/zinc/81/18/26/557811826.db2.gz ASNFFOLFGFWWHV-XLNZFTOWSA-N 0 0 436.964 5.967 40 10 IKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847059 557811907 /nfs/dbraw/zinc/81/19/07/557811907.db2.gz YEKFWRMEPQGERM-SGIRGMQISA-N 0 0 434.536 5.761 40 10 IKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847063 557811916 /nfs/dbraw/zinc/81/19/16/557811916.db2.gz GNJQXEBYCNOSTG-VRUMLPLGSA-N 0 0 448.563 6.070 40 10 IKCBRN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000058822022 557812621 /nfs/dbraw/zinc/81/26/21/557812621.db2.gz PMSOOEPPPQTJES-QGMBQPNBSA-N 0 0 433.385 5.827 40 10 IKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000058822038 557812714 /nfs/dbraw/zinc/81/27/14/557812714.db2.gz MRQZGZLZOIWAGI-KGENOOAVSA-N 0 0 437.326 6.379 40 10 IKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845629 557812838 /nfs/dbraw/zinc/81/28/38/557812838.db2.gz XDSKIVLWMRVAEE-YZUZCNPQSA-N 0 0 447.516 5.222 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000058845912 557813110 /nfs/dbraw/zinc/81/31/10/557813110.db2.gz TWSMAEGXKUJERC-DFIYOIEZSA-N 0 0 434.536 5.761 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c(C)c1 ZINC000058846201 557813113 /nfs/dbraw/zinc/81/31/13/557813113.db2.gz STIPYWGGYMULJO-VVZHRXSXSA-N 0 0 448.563 6.070 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846301 557813135 /nfs/dbraw/zinc/81/31/35/557813135.db2.gz CLWHSMPCSFDCEO-QHWMMSMNSA-N 0 0 444.600 6.239 40 10 IKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c(C)c1 ZINC000058846196 557813147 /nfs/dbraw/zinc/81/31/47/557813147.db2.gz VOYIXSTYORYNCN-VVZHRXSXSA-N 0 0 430.573 5.931 40 10 IKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845969 557813159 /nfs/dbraw/zinc/81/31/59/557813159.db2.gz KSCGJYRNSOBXCG-PPJWLVRDSA-N 0 0 446.572 5.631 40 10 IKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 ZINC000058846598 557813253 /nfs/dbraw/zinc/81/32/53/557813253.db2.gz SBQTYZRSXIGPAG-PPJWLVRDSA-N 0 0 430.573 5.931 40 10 IKCBRN CCc1cccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928561 557813318 /nfs/dbraw/zinc/81/33/18/557813318.db2.gz UIWNNKBUTDSYOZ-RMDSEJHCSA-N 0 0 426.516 6.563 40 10 IKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000058846742 557813329 /nfs/dbraw/zinc/81/33/29/557813329.db2.gz ITYKXXNHQKJZSW-CLCZQPDDSA-N 0 0 444.600 6.437 40 10 IKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846931 557813342 /nfs/dbraw/zinc/81/33/42/557813342.db2.gz ARLJRRPWWZGGHH-WZOHSFFVSA-N 0 0 434.536 5.761 40 10 IKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000058884096 557814735 /nfs/dbraw/zinc/81/47/35/557814735.db2.gz REWLSVRXRFHATM-BKUYFWCQSA-N 0 0 448.316 5.480 40 10 IKCBRN CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138903 557816505 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