smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000408529796 557296034 /nfs/dbraw/zinc/29/60/34/557296034.db2.gz KARVZUXQEGMUGC-ZROIWOOFSA-N 0 1 405.683 4.524 40 10 HJCBMN Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000409399861 560720722 /nfs/dbraw/zinc/72/07/22/560720722.db2.gz OBZBLBIQYGBBCA-STZFKDTASA-N 0 1 418.880 4.689 40 10 HJCBMN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103919892 560735022 /nfs/dbraw/zinc/73/50/22/560735022.db2.gz ATEBHPYXIYCXRU-UNOMPAQXSA-N 0 1 418.280 4.645 40 10 HJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000005947738 560739180 /nfs/dbraw/zinc/73/91/80/560739180.db2.gz WCLUUDMSENRBBT-WOJGMQOQSA-N 0 1 407.857 4.665 40 10 HJCBMN Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1C ZINC000059104404 568700325 /nfs/dbraw/zinc/70/03/25/568700325.db2.gz XVTYGZNQIZSCFE-ZHZULCJRSA-N 0 1 405.523 4.575 40 10 HJCBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409243950 560702894 /nfs/dbraw/zinc/70/28/94/560702894.db2.gz ZNERMLWOGZFUDS-ZGPWBKFBSA-N 0 1 422.550 4.819 40 10 HJCBMN CC1CCN([C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1 ZINC000141592736 569361430 /nfs/dbraw/zinc/36/14/30/569361430.db2.gz FAFYXAARWIMOSM-VWLOTQADSA-N 0 1 405.586 4.766 40 10 HJCBMN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000008567321 560637442 /nfs/dbraw/zinc/63/74/42/560637442.db2.gz BQRFQDDTVTXLFX-UVTDQMKNSA-N 0 1 417.288 4.877 40 10 HJCBMN CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000008567321 560637443 /nfs/dbraw/zinc/63/74/43/560637443.db2.gz BQRFQDDTVTXLFX-UVTDQMKNSA-N 0 1 417.288 4.877 40 10 HJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1C ZINC000409014358 560666261 /nfs/dbraw/zinc/66/62/61/560666261.db2.gz XMBFWEVVSULYTC-LDADJPATSA-N 0 1 420.465 4.534 40 10 HJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409246868 560701633 /nfs/dbraw/zinc/70/16/33/560701633.db2.gz KIKYFBFTONDJSG-ZFMLPXDISA-N 0 1 422.550 4.819 40 10 HJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c1 ZINC000409242378 560702633 /nfs/dbraw/zinc/70/26/33/560702633.db2.gz RMJCPVQPGGWZKW-XDHOZWIPSA-N 0 1 417.534 4.670 40 10 HJCBMN Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc(Br)cc1 ZINC000224137720 569052557 /nfs/dbraw/zinc/05/25/57/569052557.db2.gz DMRKECHTISNOQQ-UHFFFAOYSA-N 0 1 423.357 4.990 40 10 HJCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000034688465 569360562 /nfs/dbraw/zinc/36/05/62/569360562.db2.gz LBJKDDZTANNMKW-SFQUDFHCSA-N 0 1 423.513 4.714 40 10 HJCBMN O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1CCc1ccccn1 ZINC000001573954 557273111 /nfs/dbraw/zinc/27/31/11/557273111.db2.gz XNODUJYLAIIVDZ-HXUWFJFHSA-N 0 1 414.292 4.903 40 10 in-vitro HJCBMN Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)nc1 ZINC000019215499 558850112 /nfs/dbraw/zinc/85/01/12/558850112.db2.gz QUCHKEPFZSMISH-DEOSSOPVSA-N 0 1 407.583 4.670 40 10 HJCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1C(C)C ZINC000409142551 560684148 /nfs/dbraw/zinc/68/41/48/560684148.db2.gz AIQUKTUVFAEZCB-XDHOZWIPSA-N 0 1 422.550 4.575 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000113834992 560805194 /nfs/dbraw/zinc/80/51/94/560805194.db2.gz QBCYYJMBRMWNFN-KOEQRZSOSA-N 0 1 420.468 4.880 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(C)c1O ZINC000038187745 569360812 /nfs/dbraw/zinc/36/08/12/569360812.db2.gz UTVJMCZQRYWKQY-XYOKQWHBSA-N 0 1 421.305 4.987 40 10 HJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409207534 560691510 /nfs/dbraw/zinc/69/15/10/560691510.db2.gz WEYAFIBLIOMJGK-GDNBJRDFSA-N 0 1 419.264 4.658 40 10 HJCBMN COc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000083318990 558833730 /nfs/dbraw/zinc/83/37/30/558833730.db2.gz SNENMTYTJZGXLC-AQTBWJFISA-N 0 1 402.475 4.828 40 10 HJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S ZINC000408758882 559271413 /nfs/dbraw/zinc/27/14/13/559271413.db2.gz TXWJTESWIWHLHU-GHRIWEEISA-N 0 1 420.515 4.571 40 10 HJCBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000004714479 560610973 /nfs/dbraw/zinc/61/09/73/560610973.db2.gz MPFQOUDRUWWIJM-UNOMPAQXSA-N 0 1 406.873 4.654 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000005898250 560738927 /nfs/dbraw/zinc/73/89/27/560738927.db2.gz WHGXOCDXYZWPHX-UDWIEESQSA-N 0 1 417.465 4.806 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000026712616 569025648 /nfs/dbraw/zinc/02/56/48/569025648.db2.gz SIQDWLYZSVTTHE-CPNJWEJPSA-N 0 1 422.843 4.520 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000005546465 557660698 /nfs/dbraw/zinc/66/06/98/557660698.db2.gz YSEVEHANQQNAJW-BKUYFWCQSA-N 0 1 400.482 4.618 40 10 HJCBMN Nc1ccc(CCCCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000013283486 558529119 /nfs/dbraw/zinc/52/91/19/558529119.db2.gz UZRWUZFMZGJEFZ-UHFFFAOYSA-N 0 1 402.329 4.762 40 10 HJCBMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)c(O)c2)[nH]c1-c1ccccc1 ZINC000006282486 560630425 /nfs/dbraw/zinc/63/04/25/560630425.db2.gz CIOJSKXOEPRLGU-UHFFFAOYSA-N 0 1 403.394 4.739 40 10 HJCBMN CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408849345 560647060 /nfs/dbraw/zinc/64/70/60/560647060.db2.gz ZOEJQERKDUMAHB-GXDHUFHOSA-N 0 1 419.333 4.948 40 10 HJCBMN CCOC(=O)c1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000017092247 560866970 /nfs/dbraw/zinc/86/69/70/560866970.db2.gz CIFGFRSIMKEABM-UYRXBGFRSA-N 0 1 420.494 4.582 40 10 HJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000033319775 568696467 /nfs/dbraw/zinc/69/64/67/568696467.db2.gz VGJFEDZBOZBKJF-QNGOZBTKSA-N 0 1 414.486 4.937 40 10 HJCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000059198500 568702580 /nfs/dbraw/zinc/70/25/80/568702580.db2.gz DMQHLZBLIWLQNO-NTEUORMPSA-N 0 1 421.703 4.774 40 10 HJCBMN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408529447 557295174 /nfs/dbraw/zinc/29/51/74/557295174.db2.gz JQTPOWSVEVCRMI-ZROIWOOFSA-N 0 1 405.241 4.929 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408529447 557295176 /nfs/dbraw/zinc/29/51/76/557295176.db2.gz JQTPOWSVEVCRMI-ZROIWOOFSA-N 0 1 405.241 4.929 40 10 HJCBMN COc1cc(-n2[nH]c(C)c(C=Nc3ccc(Cl)cc3[N+](=O)[O-])c2=O)ccc1Cl ZINC000408537085 557336866 /nfs/dbraw/zinc/33/68/66/557336866.db2.gz ZBOJTVAODDXLTH-LCYFTJDESA-N 0 1 421.240 4.629 40 10 HJCBMN CC[C@H](C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000408918975 560654558 /nfs/dbraw/zinc/65/45/58/560654558.db2.gz RKDMDIABCBECFR-YQNUULROSA-N 0 1 421.497 4.583 40 10 HJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409015519 560666464 /nfs/dbraw/zinc/66/64/64/560666464.db2.gz RJJOUQUJKXKCGL-LDADJPATSA-N 0 1 420.465 4.534 40 10 HJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409199106 560692179 /nfs/dbraw/zinc/69/21/79/560692179.db2.gz NTAVWRWWIROOLU-UVTDQMKNSA-N 0 1 419.264 4.658 40 10 HJCBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000033784653 569360448 /nfs/dbraw/zinc/36/04/48/569360448.db2.gz RGNNAVIRJLVZRW-MOSHPQCFSA-N 0 1 418.880 4.689 40 10 HJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000005947747 560739157 /nfs/dbraw/zinc/73/91/57/560739157.db2.gz JQMHKGASNYOTHY-GZTJUZNOSA-N 0 1 407.857 4.665 40 10 HJCBMN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000223308252 568544768 /nfs/dbraw/zinc/54/47/68/568544768.db2.gz UDMMDEMKMKFMBQ-UHFFFAOYSA-N 0 1 413.993 4.715 40 10 HJCBMN O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1CCc1ccccn1 ZINC000003954576 557503703 /nfs/dbraw/zinc/50/37/03/557503703.db2.gz XNODUJYLAIIVDZ-FQEVSTJZSA-N 0 1 414.292 4.903 40 10 in-vitro HJCBMN CCN(CC)c1ccc(/C=C2/SC(=S)N(CN3CCCCCC3)C2=O)cc1 ZINC000055121109 558873260 /nfs/dbraw/zinc/87/32/60/558873260.db2.gz HOLZDJWHOBIMBN-XDJHFCHBSA-N 0 1 403.617 4.568 40 10 HJCBMN Cc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 ZINC000408850335 560647209 /nfs/dbraw/zinc/64/72/09/560647209.db2.gz LPFNVCCNFLPJJH-NTEUORMPSA-N 0 1 419.333 4.750 40 10 HJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000002820586 560732391 /nfs/dbraw/zinc/73/23/91/560732391.db2.gz HMMOSTBUAOZXLO-QGOAFFKASA-N 0 1 411.914 4.612 40 10 HJCBMN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000224711086 568593425 /nfs/dbraw/zinc/59/34/25/568593425.db2.gz BIVGXZXGJRBVFL-UHFFFAOYSA-N 0 1 413.993 4.715 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033330595 132788661 /nfs/dbraw/zinc/78/86/61/132788661.db2.gz MBOCQNQJKAVSEO-DEDYPNTBSA-N 0 1 419.481 4.905 40 10 HJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1 ZINC000409010830 560665444 /nfs/dbraw/zinc/66/54/44/560665444.db2.gz LUDHRETUJIDXNS-XDHOZWIPSA-N 0 1 420.465 4.534 40 10 HJCBMN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408536302 557329330 /nfs/dbraw/zinc/32/93/30/557329330.db2.gz VZYQHPOYQNPMJH-ZROIWOOFSA-N 0 1 408.658 4.960 40 10 HJCBMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408536302 557329331 /nfs/dbraw/zinc/32/93/31/557329331.db2.gz VZYQHPOYQNPMJH-ZROIWOOFSA-N 0 1 408.658 4.960 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005342620 557645746 /nfs/dbraw/zinc/64/57/46/557645746.db2.gz VLFWPYDHEIBJNM-QRVIBDJDSA-N 0 1 414.509 4.926 40 10 HJCBMN CC(C)CN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)SC1=S ZINC000409035514 560668818 /nfs/dbraw/zinc/66/88/18/560668818.db2.gz JEAXZMNOBHLBHH-WCIBSUBMSA-N 0 1 406.754 4.665 40 10 HJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059135962 568701257 /nfs/dbraw/zinc/70/12/57/568701257.db2.gz ZLROQARXOARQJU-RVDMUPIBSA-N 0 1 410.401 4.896 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000095276487 568719643 /nfs/dbraw/zinc/71/96/43/568719643.db2.gz QUVSUCUDIOQGDV-NDENLUEZSA-N 0 1 420.900 4.963 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000026681006 569025645 /nfs/dbraw/zinc/02/56/45/569025645.db2.gz FYWUAFPPSRBUOT-DEDYPNTBSA-N 0 1 422.843 4.520 40 10 HJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408762332 560556553 /nfs/dbraw/zinc/55/65/53/560556553.db2.gz JZVQQDPQLQWREG-QGOAFFKASA-N 0 1 420.515 4.571 40 10 HJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408854504 560647652 /nfs/dbraw/zinc/64/76/52/560647652.db2.gz GWXDMUDDPQQTOM-SOFGYWHQSA-N 0 1 417.726 4.540 40 10 HJCBMN C=C1N=C(SCc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408986319 560661620 /nfs/dbraw/zinc/66/16/20/560661620.db2.gz BTFHVHGYJGFCQA-OAQYLSRUSA-N 0 1 409.555 4.523 40 10 HJCBMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000225596129 568655756 /nfs/dbraw/zinc/65/57/56/568655756.db2.gz VFYXEJLOJGRHJD-UHFFFAOYSA-N 0 1 403.862 4.819 40 10 HJCBMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F ZINC000225606245 568656407 /nfs/dbraw/zinc/65/64/07/568656407.db2.gz DXIJTEVXFNWYIV-UHFFFAOYSA-N 0 1 403.862 4.819 40 10 HJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1 ZINC000408783522 560641249 /nfs/dbraw/zinc/64/12/49/560641249.db2.gz OAYHQSROIAVNKL-KGENOOAVSA-N 0 1 421.566 4.614 40 10 HJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)NC2=S)cc1 ZINC000409377002 560717897 /nfs/dbraw/zinc/71/78/97/560717897.db2.gz DXMZYUBEHCXZIE-DEDYPNTBSA-N 0 1 422.550 4.521 40 10 HJCBMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4ccccn4)c(=O)oc31)C2 ZINC000004188485 557526542 /nfs/dbraw/zinc/52/65/42/557526542.db2.gz XAUXRNPLUMFIHE-GKVSMKOHSA-N 0 1 404.510 4.961 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771467 560638707 /nfs/dbraw/zinc/63/87/07/560638707.db2.gz GPZMFZVLZVLNIG-FYJGNVAPSA-N 0 1 421.566 4.668 40 10 HJCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409134026 560682217 /nfs/dbraw/zinc/68/22/17/560682217.db2.gz OJLDCAMTVVMTDI-XDHOZWIPSA-N 0 1 417.534 4.670 40 10 HJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000409235680 560701139 /nfs/dbraw/zinc/70/11/39/560701139.db2.gz CUJKKINBFGCKGR-XSFVSMFZSA-N 0 1 416.502 4.901 40 10 HJCBMN CC(C)n1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409249019 560701988 /nfs/dbraw/zinc/70/19/88/560701988.db2.gz IWIBOJONRNFXOG-LFIBNONCSA-N 0 1 423.925 4.707 40 10 HJCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2cccc3ccccc32)C(=O)N1 ZINC000058823258 568699753 /nfs/dbraw/zinc/69/97/53/568699753.db2.gz WCDXQPOTFOVOHK-UHFFFAOYSA-N 0 1 406.825 4.662 40 10 HJCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C(=O)NC2=S)cc1 ZINC000059104839 568700659 /nfs/dbraw/zinc/70/06/59/568700659.db2.gz WFQXIAQXJZLEGM-HKWRFOASSA-N 0 1 419.550 4.829 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000034713536 569360672 /nfs/dbraw/zinc/36/06/72/569360672.db2.gz OITHWESNSUUPOF-PDGQHHTCSA-N 0 1 422.843 4.520 40 10 HJCBMN C=C1N=C(SCc2cccc(C)c2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408990601 560662161 /nfs/dbraw/zinc/66/21/61/560662161.db2.gz OFIGKHGKCZKJFV-JOCHJYFZSA-N 0 1 423.582 4.832 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)(C)C ZINC000409233421 560700786 /nfs/dbraw/zinc/70/07/86/560700786.db2.gz KITSTQUMPCCRLG-DEDYPNTBSA-N 0 1 423.582 4.815 40 10 HJCBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409243949 560702870 /nfs/dbraw/zinc/70/28/70/560702870.db2.gz ZNERMLWOGZFUDS-RZKQZQCBSA-N 0 1 422.550 4.819 40 10 HJCBMN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC ZINC000112290999 560778188 /nfs/dbraw/zinc/77/81/88/560778188.db2.gz PCWYAKVPOSHRHB-STZFKDTASA-N 0 1 424.457 4.501 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000113834713 560805224 /nfs/dbraw/zinc/80/52/24/560805224.db2.gz QJTZHTGVYKCCAT-KOEQRZSOSA-N 0 1 420.468 4.880 40 10 HJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000408742092 557808941 /nfs/dbraw/zinc/80/89/41/557808941.db2.gz PEUMHUGVMPYIOA-LDADJPATSA-N 0 1 422.893 4.740 40 10 HJCBMN Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000019215475 558850056 /nfs/dbraw/zinc/85/00/56/558850056.db2.gz ZFIOPBAAZDTETN-QFIPXVFZSA-N 0 1 411.546 4.501 40 10 HJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S ZINC000409236070 560699054 /nfs/dbraw/zinc/69/90/54/560699054.db2.gz RODSFKRUHQRVGO-SFQUDFHCSA-N 0 1 422.893 4.740 40 10 HJCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000059138131 568701446 /nfs/dbraw/zinc/70/14/46/568701446.db2.gz LYQZAGDSXUVPBM-NBVRZTHBSA-N 0 1 409.511 4.504 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000108250510 569361175 /nfs/dbraw/zinc/36/11/75/569361175.db2.gz YDOKNMQQOZVDSM-ZHZULCJRSA-N 0 1 406.894 4.953 40 10 HJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl ZINC000083320451 558833655 /nfs/dbraw/zinc/83/36/55/558833655.db2.gz RPZICZOCXARUOJ-DHDCSXOGSA-N 0 1 400.887 4.637 40 10 HJCBMN Cc1csc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)n1 ZINC000019570702 558929375 /nfs/dbraw/zinc/92/93/75/558929375.db2.gz YQYKNZQIVTUGJS-OAQYLSRUSA-N 0 1 413.612 4.732 40 10 HJCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C(C)C ZINC000409230931 560700300 /nfs/dbraw/zinc/70/03/00/560700300.db2.gz ADRMNTNHROOVTQ-CPNJWEJPSA-N 0 1 422.550 4.657 40 10 HJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000409249549 560702039 /nfs/dbraw/zinc/70/20/39/560702039.db2.gz NLMJAPVUWUELIU-SFQUDFHCSA-N 0 1 422.893 4.740 40 10 HJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 ZINC000409243532 560702755 /nfs/dbraw/zinc/70/27/55/560702755.db2.gz SDHCNIHULNGMRW-LDADJPATSA-N 0 1 420.465 4.534 40 10 HJCBMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1 ZINC000096860840 568721877 /nfs/dbraw/zinc/72/18/77/568721877.db2.gz GZLBMFNVPYPYJJ-DEDYPNTBSA-N 0 1 423.538 4.900 40 10 HJCBMN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000408758025 558825461 /nfs/dbraw/zinc/82/54/61/558825461.db2.gz UOMIIYXARAUZBA-DEDYPNTBSA-N 0 1 405.889 4.861 40 10 HJCBMN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccnc21 ZINC000017778321 558827988 /nfs/dbraw/zinc/82/79/88/558827988.db2.gz IQEOBFBZYOOSSI-QURGRASLSA-N 0 1 411.468 4.613 40 10 HJCBMN Cc1nc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000019559885 558921169 /nfs/dbraw/zinc/92/11/69/558921169.db2.gz WMKNZCXRGZKRBP-NRFANRHFSA-N 0 1 413.612 4.732 40 10 HJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409198071 560690770 /nfs/dbraw/zinc/69/07/70/560690770.db2.gz WHGPNINOCBMCCP-GDNBJRDFSA-N 0 1 419.264 4.658 40 10 HJCBMN CC(C)N1CCc2cc(CN3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc21 ZINC000248151420 569316548 /nfs/dbraw/zinc/31/65/48/569316548.db2.gz HGZXAEIRGZXWLW-QHCPKHFHSA-N 0 1 414.557 4.723 40 10 HJCBMN CC1CCN([C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1 ZINC000141592946 569361378 /nfs/dbraw/zinc/36/13/78/569361378.db2.gz FAFYXAARWIMOSM-RUZDIDTESA-N 0 1 405.586 4.766 40 10 HJCBMN COc1cc(-n2[nH]c(C)c(C=Nc3c(C)cc(C)cc3[N+](=O)[O-])c2=O)ccc1Cl ZINC000408532026 557309462 /nfs/dbraw/zinc/30/94/62/557309462.db2.gz LTGMOJRDXGBXPG-GDNBJRDFSA-N 0 1 414.849 4.592 40 10 HJCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F ZINC000408694654 557709763 /nfs/dbraw/zinc/70/97/63/557709763.db2.gz LJJRXUYCQAJQQV-UHFFFAOYSA-N 0 1 419.861 4.520 40 10 HJCBMN C=C1N=C(SCc2cccc(C)c2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408990604 560662122 /nfs/dbraw/zinc/66/21/22/560662122.db2.gz OFIGKHGKCZKJFV-QFIPXVFZSA-N 0 1 423.582 4.832 40 10 HJCBMN COc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)c1 ZINC000017089565 560864329 /nfs/dbraw/zinc/86/43/29/560864329.db2.gz NEEPSLURZVUIQF-QJOMJCCJSA-N 0 1 413.477 4.841 40 10 HJCBMN Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)c1 ZINC000033784651 569360516 /nfs/dbraw/zinc/36/05/16/569360516.db2.gz HTUBIANPYCHRJX-MOSHPQCFSA-N 0 1 418.880 4.689 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C)c1O ZINC000038165662 569360801 /nfs/dbraw/zinc/36/08/01/569360801.db2.gz CSAPDMPGFMBXCD-NTUHNPAUSA-N 0 1 421.305 4.987 40 10 HJCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1C(C)C ZINC000409246830 560701579 /nfs/dbraw/zinc/70/15/79/560701579.db2.gz FARJVDDOSIPHKZ-XDHOZWIPSA-N 0 1 422.550 4.575 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCCC1 ZINC000409247300 560701748 /nfs/dbraw/zinc/70/17/48/560701748.db2.gz MEFFCYCMSLGEFT-XSFVSMFZSA-N 0 1 421.566 4.750 40 10 HJCBMN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 ZINC000103918916 560734867 /nfs/dbraw/zinc/73/48/67/560734867.db2.gz MRQZMZYXHLEKBY-QNGOZBTKSA-N 0 1 409.461 4.891 40 10 HJCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000005947682 560739121 /nfs/dbraw/zinc/73/91/21/560739121.db2.gz HUEPYMQNPFKKPS-RIYZIHGNSA-N 0 1 406.269 4.723 40 10 HJCBMN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000225241328 568625207 /nfs/dbraw/zinc/62/52/07/568625207.db2.gz CLLYMGNHSVAZCZ-UHFFFAOYSA-N 0 1 413.993 4.715 40 10 HJCBMN CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)NC1=S ZINC000059104642 568700541 /nfs/dbraw/zinc/70/05/41/568700541.db2.gz HFXRXIRAXOCBLF-CYVLTUHYSA-N 0 1 419.550 4.829 40 10 HJCBMN Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1C ZINC000059138128 568701496 /nfs/dbraw/zinc/70/14/96/568701496.db2.gz DROLLTQUVHANEW-GHRIWEEISA-N 0 1 409.511 4.558 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408529212 557294654 /nfs/dbraw/zinc/29/46/54/557294654.db2.gz HFZTXJGAHHBJTM-ZROIWOOFSA-N 0 1 405.241 4.929 40 10 HJCBMN Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)nc1 ZINC000019215497 558850034 /nfs/dbraw/zinc/85/00/34/558850034.db2.gz QUCHKEPFZSMISH-XMMPIXPASA-N 0 1 407.583 4.670 40 10 HJCBMN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC ZINC000112286393 560777853 /nfs/dbraw/zinc/77/78/53/560777853.db2.gz PQBRYRBQXOPMDI-JCMHNJIXSA-N 0 1 409.486 4.601 40 10 HJCBMN COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc2c1 ZINC000223650955 568554901 /nfs/dbraw/zinc/55/49/01/568554901.db2.gz DZNTVBNIFMRAOQ-UHFFFAOYSA-N 0 1 417.486 4.880 40 10 HJCBMN Cc1cccc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)c1 ZINC000033498698 568697589 /nfs/dbraw/zinc/69/75/89/568697589.db2.gz VSYFSLHHFZQYFN-LDADJPATSA-N 0 1 423.513 4.714 40 10 HJCBMN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 ZINC000059138116 568701411 /nfs/dbraw/zinc/70/14/11/568701411.db2.gz XGKOKTDBAUAPND-QGOAFFKASA-N 0 1 409.511 4.558 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408741632 557808691 /nfs/dbraw/zinc/80/86/91/557808691.db2.gz RFTYQXOYCCYBFK-KGENOOAVSA-N 0 1 421.566 4.750 40 10 HJCBMN Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000019215472 558850127 /nfs/dbraw/zinc/85/01/27/558850127.db2.gz ZFIOPBAAZDTETN-JOCHJYFZSA-N 0 1 411.546 4.501 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771555 560638819 /nfs/dbraw/zinc/63/88/19/560638819.db2.gz HHHWQDUBCVYAIG-FYJGNVAPSA-N 0 1 421.566 4.668 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000408772151 560639156 /nfs/dbraw/zinc/63/91/56/560639156.db2.gz DJRYZKSAQZLIIL-DEDYPNTBSA-N 0 1 421.566 4.668 40 10 HJCBMN O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S)c1cccs1 ZINC000409331878 560710440 /nfs/dbraw/zinc/71/04/40/560710440.db2.gz PEMHNCLEYRGBTK-YRNVUSSQSA-N 0 1 415.348 4.601 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033330770 568696842 /nfs/dbraw/zinc/69/68/42/568696842.db2.gz UJPFGEXOYHJRMP-DEDYPNTBSA-N 0 1 409.461 4.868 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000034713540 569360603 /nfs/dbraw/zinc/36/06/03/569360603.db2.gz IECROHAGXMYWET-UNOMPAQXSA-N 0 1 422.843 4.520 40 10 HJCBMN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccnc21 ZINC000104090586 559157860 /nfs/dbraw/zinc/15/78/60/559157860.db2.gz IQEOBFBZYOOSSI-DQRAZIAOSA-N 0 1 411.468 4.613 40 10 HJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1 ZINC000409369552 560716627 /nfs/dbraw/zinc/71/66/27/560716627.db2.gz CUEAFWPIVPWNAD-CJLVFECKSA-N 0 1 412.514 4.747 40 10 HJCBMN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 ZINC000103918911 560734899 /nfs/dbraw/zinc/73/48/99/560734899.db2.gz JGCIJSWMUSWVTG-JWGURIENSA-N 0 1 421.497 4.761 40 10 HJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409246867 560701620 /nfs/dbraw/zinc/70/16/20/560701620.db2.gz KIKYFBFTONDJSG-YIRPMMGJSA-N 0 1 422.550 4.819 40 10 HJCBMN O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1cccs1 ZINC000409339308 560712867 /nfs/dbraw/zinc/71/28/67/560712867.db2.gz TYHCFXUVMJKCKX-KPKJPENVSA-N 0 1 415.348 4.601 40 10 HJCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000005947724 560739143 /nfs/dbraw/zinc/73/91/43/560739143.db2.gz FGEQTGCIMYOCAJ-UKTHLTGXSA-N 0 1 406.269 4.723 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000034713544 569360556 /nfs/dbraw/zinc/36/05/56/569360556.db2.gz OEZJJXQYJSMCIE-UNOMPAQXSA-N 0 1 422.843 4.520 40 10 HJCBMN Cc1csc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)n1 ZINC000019570705 558929468 /nfs/dbraw/zinc/92/94/68/558929468.db2.gz YQYKNZQIVTUGJS-NRFANRHFSA-N 0 1 413.612 4.732 40 10 HJCBMN CC(=C\c1ccccc1)/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408856300 560647849 /nfs/dbraw/zinc/64/78/49/560647849.db2.gz QDMLYWVFVWBBGU-NCPBJGSTSA-N 0 1 417.317 4.771 40 10 HJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409207573 560691481 /nfs/dbraw/zinc/69/14/81/560691481.db2.gz WUTIEWRLUNGPAL-UVTDQMKNSA-N 0 1 419.264 4.658 40 10 HJCBMN COc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000059135707 568701145 /nfs/dbraw/zinc/70/11/45/568701145.db2.gz MPRHUTXDIBRKNU-VBKFSLOCSA-N 0 1 406.438 4.659 40 10 HJCBMN Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)c(C)c1 ZINC000059138126 568701504 /nfs/dbraw/zinc/70/15/04/568701504.db2.gz FMZYAWIINGXJAB-GHRIWEEISA-N 0 1 409.511 4.558 40 10 HJCBMN CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000059109568 568703836 /nfs/dbraw/zinc/70/38/36/568703836.db2.gz FSWHCRHDTNKDNI-KGENOOAVSA-N 0 1 420.509 4.669 40 10 HJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 ZINC000408761887 559276255 /nfs/dbraw/zinc/27/62/55/559276255.db2.gz HPEWVCMAFQCNAU-QGOAFFKASA-N 0 1 420.515 4.571 40 10 HJCBMN CC[C@@H](C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000408918974 560654552 /nfs/dbraw/zinc/65/45/52/560654552.db2.gz RKDMDIABCBECFR-VCRXTVNUSA-N 0 1 421.497 4.583 40 10 HJCBMN C=C1N=C(SCc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408986317 560661622 /nfs/dbraw/zinc/66/16/22/560661622.db2.gz BTFHVHGYJGFCQA-NRFANRHFSA-N 0 1 409.555 4.523 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000019797719 560875910 /nfs/dbraw/zinc/87/59/10/560875910.db2.gz MEKUUHGSMDDPRP-UNOMPAQXSA-N 0 1 420.900 4.963 40 10 HJCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4ccccn4)c(=O)oc31)C2 ZINC000001177518 557228498 /nfs/dbraw/zinc/22/84/98/557228498.db2.gz XAUXRNPLUMFIHE-CRICUBBOSA-N 0 1 404.510 4.961 40 10 HJCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C(C)C ZINC000409146419 560684650 /nfs/dbraw/zinc/68/46/50/560684650.db2.gz SORUIFDLHABYKH-XDHOZWIPSA-N 0 1 422.550 4.575 40 10 HJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000059135956 568701198 /nfs/dbraw/zinc/70/11/98/568701198.db2.gz PNXFKLMXIWGFOZ-FOWTUZBSSA-N 0 1 406.438 4.659 40 10 HJCBMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 ZINC000096476888 568721636 /nfs/dbraw/zinc/72/16/36/568721636.db2.gz YDHQXDMMXCJRHG-LDADJPATSA-N 0 1 422.437 4.766 40 10 HJCBMN COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F ZINC000408695761 557710134 /nfs/dbraw/zinc/71/01/34/557710134.db2.gz YSNMCVBXBYCQPC-UHFFFAOYSA-N 0 1 419.861 4.520 40 10 HJCBMN Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000019559882 558921109 /nfs/dbraw/zinc/92/11/09/558921109.db2.gz WMKNZCXRGZKRBP-OAQYLSRUSA-N 0 1 413.612 4.732 40 10 HJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S ZINC000409105129 560678381 /nfs/dbraw/zinc/67/83/81/560678381.db2.gz GOKKQAXYFDWJQE-FOWTUZBSSA-N 0 1 422.893 4.740 40 10 HJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)C ZINC000409241429 560702320 /nfs/dbraw/zinc/70/23/20/560702320.db2.gz NGGOUEPRUHPXJR-UDWIEESQSA-N 0 1 409.555 4.641 40 10 HJCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001186986 560727719 /nfs/dbraw/zinc/72/77/19/560727719.db2.gz OVMMVVBCGKLMPL-YBFXNURJSA-N 0 1 423.856 4.843 40 10 HJCBMN Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1C ZINC000059138129 568701360 /nfs/dbraw/zinc/70/13/60/568701360.db2.gz WIJOKZAZJXJKPS-QGOAFFKASA-N 0 1 409.511 4.558 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000059194198 568702368 /nfs/dbraw/zinc/70/23/68/568702368.db2.gz YFSWZNRGISMISF-QGOAFFKASA-N 0 1 422.843 4.520 40 10 HJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000408740199 557806206 /nfs/dbraw/zinc/80/62/06/557806206.db2.gz DTHLFJDYKGVYHD-LDADJPATSA-N 0 1 422.893 4.740 40 10 HJCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c1C ZINC000409134023 560682176 /nfs/dbraw/zinc/68/21/76/560682176.db2.gz RMSMYLYHRAQPTA-XDHOZWIPSA-N 0 1 417.534 4.670 40 10 HJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1 ZINC000409233728 560700815 /nfs/dbraw/zinc/70/08/15/560700815.db2.gz HOFJWDMJPOXZSB-LDADJPATSA-N 0 1 420.465 4.534 40 10 HJCBMN Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1C ZINC000059104510 568700254 /nfs/dbraw/zinc/70/02/54/568700254.db2.gz DVUJZWKSELBNNJ-RGEXLXHISA-N 0 1 405.523 4.575 40 10 HJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000108925654 569361198 /nfs/dbraw/zinc/36/11/98/569361198.db2.gz XIEQCUHFFIDWMP-MOSHPQCFSA-N 0 1 422.843 4.520 40 10 HJCBMN CC(C)N1CCc2cc(CN3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)ccc21 ZINC000072376427 558965936 /nfs/dbraw/zinc/96/59/36/558965936.db2.gz HGZXAEIRGZXWLW-HSZRJFAPSA-N 0 1 414.557 4.723 40 10 HJCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100929751 559141925 /nfs/dbraw/zinc/14/19/25/559141925.db2.gz XSGZITZPIYAROS-ZROIWOOFSA-N 0 1 405.241 4.929 40 10 HJCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408966737 560658779 /nfs/dbraw/zinc/65/87/79/560658779.db2.gz NUICCCAWMHMBOA-RMKNXTFCSA-N 0 1 417.726 4.540 40 10 HJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000033422408 568697296 /nfs/dbraw/zinc/69/72/96/568697296.db2.gz CDOVPJMXCLCMMR-DHDCSXOGSA-N 0 1 400.887 4.637 40 10 HJCBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000257208888 568778661 /nfs/dbraw/zinc/77/86/61/568778661.db2.gz BNYFEGTZURQZBD-UHFFFAOYSA-N 0 1 423.340 4.558 40 10 HJCBMN