smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cc(S(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000001682805 551689417 /nfs/dbraw/zinc/68/94/17/551689417.db2.gz DDSZSTUPXTWDFK-UHFFFAOYSA-N 0 1 563.078 4.774 40 10 KJCBMN Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002099545 551762055 /nfs/dbraw/zinc/76/20/55/551762055.db2.gz BKQGQENHENEIKQ-ZWKOTPCHSA-N 0 1 511.603 4.865 40 10 KJCBMN Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005485872 552503005 /nfs/dbraw/zinc/50/30/05/552503005.db2.gz GPTGMHOSKXCSBL-NVQSTNCTSA-N 0 1 524.566 4.948 40 10 KJCBMN Cc1nn(C(=O)c2ccccn2)c(-c2ccccc2)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005485939 552503042 /nfs/dbraw/zinc/50/30/42/552503042.db2.gz LMWHUSOEEYKRAF-NVQSTNCTSA-N 0 1 524.566 4.948 40 10 KJCBMN COc1ccccc1OCCCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000006298649 552579973 /nfs/dbraw/zinc/57/99/73/552579973.db2.gz SAJITUCCRUPXTH-PTGBLXJZSA-N 0 1 501.583 4.914 40 10 KJCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000008426086 553017450 /nfs/dbraw/zinc/01/74/50/553017450.db2.gz NKCIUAYKOHNWTH-RVDMUPIBSA-N 0 1 525.409 4.901 40 10 KJCBMN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000008819861 553154638 /nfs/dbraw/zinc/15/46/38/553154638.db2.gz LWUMRKYNFDIIIW-MOSHPQCFSA-N 0 1 501.586 4.709 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000009259613 553228031 /nfs/dbraw/zinc/22/80/31/553228031.db2.gz GPAMETNVTHNDKR-UNOMPAQXSA-N 0 1 513.388 4.831 40 10 KJCBMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000009265233 553229838 /nfs/dbraw/zinc/22/98/38/553229838.db2.gz WCJCNUKTTFKPMM-ZHZULCJRSA-N 0 1 514.538 4.877 40 10 KJCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1C ZINC000010112153 553328790 /nfs/dbraw/zinc/32/87/90/553328790.db2.gz QMSMJWHPJZKVHR-UHFFFAOYSA-N 0 1 514.047 4.524 40 10 KJCBMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1 ZINC000013631778 553478480 /nfs/dbraw/zinc/47/84/80/553478480.db2.gz PFXZADQLYJJPDB-UHFFFAOYSA-N 0 1 514.047 4.524 40 10 KJCBMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1C ZINC000013632607 553478750 /nfs/dbraw/zinc/47/87/50/553478750.db2.gz SPQUOMFLGSBCPQ-UHFFFAOYSA-N 0 1 514.047 4.524 40 10 KJCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c(C)c1 ZINC000013669806 553481465 /nfs/dbraw/zinc/48/14/65/553481465.db2.gz YFMMQTHCNJITIJ-UHFFFAOYSA-N 0 1 514.047 4.524 40 10 KJCBMN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(C)cc(C)c4)c3)CC2)cc1 ZINC000014154274 553504183 /nfs/dbraw/zinc/50/41/83/553504183.db2.gz KCVHDZAGUNWVAR-UHFFFAOYSA-N 0 1 514.047 4.729 40 10 KJCBMN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4C)c3)CC2)cc1 ZINC000014154303 553504169 /nfs/dbraw/zinc/50/41/69/553504169.db2.gz IXLUIWJCOOCQKW-UHFFFAOYSA-N 0 1 514.047 4.729 40 10 KJCBMN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(C)cc4C)c3)CC2)cc1 ZINC000014155696 553505397 /nfs/dbraw/zinc/50/53/97/553505397.db2.gz MWSOZYZKWJAQMT-UHFFFAOYSA-N 0 1 514.047 4.729 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000015231266 553530071 /nfs/dbraw/zinc/53/00/71/553530071.db2.gz GZCZNTUIPPZSDL-DEDYPNTBSA-N 0 1 500.511 4.568 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1O ZINC000016688225 553572911 /nfs/dbraw/zinc/57/29/11/553572911.db2.gz SOLACFHAFAJISU-IKWVTPRCSA-N 0 1 517.420 4.620 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1O ZINC000016688226 553572873 /nfs/dbraw/zinc/57/28/73/553572873.db2.gz SOLACFHAFAJISU-TZCPFCGOSA-N 0 1 517.420 4.620 40 10 KJCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)NC2=S)c1 ZINC000016693239 553573823 /nfs/dbraw/zinc/57/38/23/553573823.db2.gz OHUNQUJBXMQBHY-HAHDFKILSA-N 0 1 502.592 4.894 40 10 KJCBMN COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000033920016 1067208052 /nfs/dbraw/zinc/20/80/52/1067208052.db2.gz UXMNLAMZHPRYFN-GDNBJRDFSA-N 0 1 512.198 4.573 40 10 KJCBMN CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000053226437 554330162 /nfs/dbraw/zinc/33/01/62/554330162.db2.gz APFHFWYIJJQGBC-OEAKJJBVSA-N 0 1 528.590 4.621 40 10 KJCBMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000059087196 554372085 /nfs/dbraw/zinc/37/20/85/554372085.db2.gz GDERUJIMGWGHMX-VCHYOVAHSA-N 0 1 502.365 4.602 40 10 KJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C1=O ZINC000059087294 554372162 /nfs/dbraw/zinc/37/21/62/554372162.db2.gz GFNMYNBEKSEADV-GZTJUZNOSA-N 0 1 516.779 4.822 40 10 KJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C1=O ZINC000059087295 554372120 /nfs/dbraw/zinc/37/21/20/554372120.db2.gz POGHJYJPQVMZNN-GZTJUZNOSA-N 0 1 500.324 4.944 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000059103761 554378981 /nfs/dbraw/zinc/37/89/81/554378981.db2.gz AZQHJCZRZRBJCQ-WQRHYEAKSA-N 0 1 531.378 4.970 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O[C@H](C)CC ZINC000059103763 554379001 /nfs/dbraw/zinc/37/90/01/554379001.db2.gz PHKRLDNZBIESHR-RQNDZEIBSA-N 0 1 540.398 4.662 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000059103764 554379026 /nfs/dbraw/zinc/37/90/26/554379026.db2.gz PHKRLDNZBIESHR-FMNVXAMXSA-N 0 1 540.398 4.662 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1 ZINC000059103768 554378994 /nfs/dbraw/zinc/37/89/94/554378994.db2.gz YHOMASGMDGUAGG-UNOMPAQXSA-N 0 1 560.388 4.673 40 10 KJCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059109563 554380943 /nfs/dbraw/zinc/38/09/43/554380943.db2.gz QGBAULOEIJSMNJ-XQNSMLJCSA-N 0 1 519.602 4.992 40 10 KJCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059135807 554381839 /nfs/dbraw/zinc/38/18/39/554381839.db2.gz BRXSAJDUIIAWCP-LDADJPATSA-N 0 1 507.499 4.993 40 10 KJCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059136086 554381744 /nfs/dbraw/zinc/38/17/44/554381744.db2.gz KKEUVMZMQCEWNS-LDADJPATSA-N 0 1 507.499 4.993 40 10 KJCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000059136088 554381979 /nfs/dbraw/zinc/38/19/79/554381979.db2.gz DHHJADFWUNVBSP-LICLKQGHSA-N 0 1 506.511 4.814 40 10 KJCBMN CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000059198484 554384959 /nfs/dbraw/zinc/38/49/59/554384959.db2.gz YYKXNUSSONNABX-NTEUORMPSA-N 0 1 509.223 4.949 40 10 KJCBMN O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000059488686 554398204 /nfs/dbraw/zinc/39/82/04/554398204.db2.gz JOVUISLTIAWDDM-LJAQVGFWSA-N 0 1 520.597 4.716 40 10 KJCBMN O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000059488687 554398182 /nfs/dbraw/zinc/39/81/82/554398182.db2.gz JOVUISLTIAWDDM-GDLZYMKVSA-N 0 1 520.597 4.716 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000059594438 554408023 /nfs/dbraw/zinc/40/80/23/554408023.db2.gz DKBZRIUHWYHOND-GZTJUZNOSA-N 0 1 500.985 4.933 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059595053 554407997 /nfs/dbraw/zinc/40/79/97/554407997.db2.gz MGSXSYNRCSHIIS-VCHYOVAHSA-N 0 1 513.978 4.735 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000059595150 554407909 /nfs/dbraw/zinc/40/79/09/554407909.db2.gz ZRQWRWJOBBLBMO-LPYMAVHISA-N 0 1 515.566 4.677 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000059595919 554408293 /nfs/dbraw/zinc/40/82/93/554408293.db2.gz ZTNKAUAQIMBEQD-OEAKJJBVSA-N 0 1 511.603 4.847 40 10 KJCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000083309646 553676729 /nfs/dbraw/zinc/67/67/29/553676729.db2.gz QQZNJKSMSSXTMS-FYJGNVAPSA-N 0 1 503.515 4.698 40 10 KJCBMN O=C([O-])c1ccccc1CN1CC[NH+](Cc2ccccc2O)CCN(Cc2ccccc2O)CC[N@H+](Cc2ccccc2C(=O)[O-])CC1 ZINC000095101078 553700184 /nfs/dbraw/zinc/70/01/84/553700184.db2.gz GMTYUWMLNKMKCM-UHFFFAOYSA-N 0 1 652.792 4.816 40 10 KJCBMN O=C([O-])c1ccccc1CN1CC[NH+](Cc2ccccc2O)CCN(Cc2ccccc2O)CC[N@@H+](Cc2ccccc2C(=O)[O-])CC1 ZINC000095101078 553700182 /nfs/dbraw/zinc/70/01/82/553700182.db2.gz GMTYUWMLNKMKCM-UHFFFAOYSA-N 0 1 652.792 4.816 40 10 KJCBMN O=C([O-])c1ccccc1CN1CC[NH+](Cc2ccccc2C(=O)[O-])CCN(Cc2ccccc2O)CC[N@@H+](Cc2ccccc2O)CC1 ZINC000095101078 553700181 /nfs/dbraw/zinc/70/01/81/553700181.db2.gz GMTYUWMLNKMKCM-UHFFFAOYSA-N 0 1 652.792 4.816 40 10 KJCBMN COc1cc(NC(=O)[C@@H](N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl ZINC000095831821 553713666 /nfs/dbraw/zinc/71/36/66/553713666.db2.gz WNWZKKBGFYKSGA-FEIADIGBSA-N 0 1 591.042 4.855 40 10 KJCBMN COc1cc(NC(=O)[C@H](N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl ZINC000095831822 553713726 /nfs/dbraw/zinc/71/37/26/553713726.db2.gz WNWZKKBGFYKSGA-CHJUCYJUSA-N 0 1 591.042 4.855 40 10 KJCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000097958679 553856916 /nfs/dbraw/zinc/85/69/16/553856916.db2.gz WGDLQURMICVIRI-HYARGMPZSA-N 0 1 537.410 4.994 40 10 KJCBMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 ZINC000097982666 554004809 /nfs/dbraw/zinc/00/48/09/554004809.db2.gz RDCUOKHJQSJBMH-VOIUYBSRSA-N 0 1 585.542 4.786 40 10 KJCBMN COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000100165170 554236189 /nfs/dbraw/zinc/23/61/89/554236189.db2.gz SCMSHMSVBJIHIM-NDENLUEZSA-N 0 1 560.775 4.994 40 10 KJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000100210605 554248996 /nfs/dbraw/zinc/24/89/96/554248996.db2.gz JMZRXNILSJMIPE-CPNJWEJPSA-N 0 1 525.380 4.717 40 10 KJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000100221476 554251783 /nfs/dbraw/zinc/25/17/83/554251783.db2.gz PARCLYJPYFCYKW-CXUHLZMHSA-N 0 1 515.334 4.920 40 10 KJCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000100222156 554252055 /nfs/dbraw/zinc/25/20/55/554252055.db2.gz SYFCOEYPVSZBIA-ZSOIEALJSA-N 0 1 601.260 4.601 40 10 KJCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000100286076 554280269 /nfs/dbraw/zinc/28/02/69/554280269.db2.gz ZPVRWORGXDLZTO-WUXMJOGZSA-N 0 1 575.076 4.814 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000100313766 554302092 /nfs/dbraw/zinc/30/20/92/554302092.db2.gz NESOZTWGSSUURY-DEDYPNTBSA-N 0 1 523.408 4.868 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100321047 554305570 /nfs/dbraw/zinc/30/55/70/554305570.db2.gz SQJLDMCZSAFGJK-ODLFYWEKSA-N 0 1 615.405 4.618 40 10 KJCBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000100333139 554315616 /nfs/dbraw/zinc/31/56/16/554315616.db2.gz OPCMMGSJRZVMCE-VZUCSPMQSA-N 0 1 516.200 4.604 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000100345521 554329978 /nfs/dbraw/zinc/32/99/78/554329978.db2.gz ABCNVAFXNZDQOU-FYJGNVAPSA-N 0 1 571.440 4.847 40 10 KJCBMN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC ZINC000101006823 554554555 /nfs/dbraw/zinc/55/45/55/554554555.db2.gz PKJHXJWMEZJADS-BKUYFWCQSA-N 0 1 531.612 4.718 40 10 KJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000101738626 554834005 /nfs/dbraw/zinc/83/40/05/554834005.db2.gz TUPNUSQQSPHGKI-XNTDXEJSSA-N 0 1 515.334 4.920 40 10 KJCBMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000102504579 1067212553 /nfs/dbraw/zinc/21/25/53/1067212553.db2.gz HMMFZAPNDXYYLM-AQTBWJFISA-N 0 1 504.328 4.557 40 10 KJCBMN O=C1NC(=O)C(=Cc2ccc(Sc3nnc(Cc4cccc5ccccc54)n3-c3ccccc3)o2)C(=O)N1 ZINC000103757673 555470337 /nfs/dbraw/zinc/47/03/37/555470337.db2.gz VIZUVRILCPZSIY-UHFFFAOYSA-N 0 1 521.558 4.505 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000103780730 555476266 /nfs/dbraw/zinc/47/62/66/555476266.db2.gz MCISURTXYKQAII-RGVLZGJSSA-N 0 1 587.439 4.547 40 10 KJCBMN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000103806004 555481977 /nfs/dbraw/zinc/48/19/77/555481977.db2.gz LPHRFQOWAFJWEI-UHFFFAOYSA-N 0 1 559.585 4.666 40 10 KJCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)NC(=O)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000103806012 555482132 /nfs/dbraw/zinc/48/21/32/555482132.db2.gz ZBECINZAHJTFEO-UHFFFAOYSA-N 0 1 559.585 4.666 40 10 KJCBMN 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IVVNPEKXEBUEBB-UOGWCTRJSA-N 0 1 584.654 4.937 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000105498118 571405716 /nfs/dbraw/zinc/40/57/16/571405716.db2.gz IVVNPEKXEBUEBB-BGLYUIMJSA-N 0 1 584.654 4.937 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000105498892 571405938 /nfs/dbraw/zinc/40/59/38/571405938.db2.gz GCEZHMUCDLBKMN-SDCACLTKSA-N 0 1 554.628 4.928 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000105498893 571406021 /nfs/dbraw/zinc/40/60/21/571406021.db2.gz GCEZHMUCDLBKMN-VJBXOYAISA-N 0 1 554.628 4.928 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499851 571406312 /nfs/dbraw/zinc/40/63/12/571406312.db2.gz HLKOPRVUFYPNKZ-PXVWUNBISA-N 0 1 567.671 4.985 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499854 571406316 /nfs/dbraw/zinc/40/63/16/571406316.db2.gz HLKOPRVUFYPNKZ-FOPZDYRDSA-N 0 1 567.671 4.985 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000105500813 571406476 /nfs/dbraw/zinc/40/64/76/571406476.db2.gz GJHPLMYBMFKRRX-IMDFURJVSA-N 0 1 524.602 4.919 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccccc1 ZINC000105500816 571406488 /nfs/dbraw/zinc/40/64/88/571406488.db2.gz GJHPLMYBMFKRRX-ORZQNFQWSA-N 0 1 524.602 4.919 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000105501241 571406584 /nfs/dbraw/zinc/40/65/84/571406584.db2.gz WRDWTYRWIZZXEZ-YKELKYJXSA-N 0 1 568.611 4.648 40 10 KJCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000105501243 571406587 /nfs/dbraw/zinc/40/65/87/571406587.db2.gz WRDWTYRWIZZXEZ-YWFGPFJPSA-N 0 1 568.611 4.648 40 10 KJCBMN CC(=O)C(=NNc1ccccc1OCCOc1ccccc1N=N[C@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000150341950 571458475 /nfs/dbraw/zinc/45/84/75/571458475.db2.gz PUNNQKXGKNOLTB-XGTMAALVSA-N 0 1 732.714 4.844 40 10 KJCBMN CC(=O)C(=NNc1ccccc1OCCOc1ccccc1N=N[C@@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000150341955 571458431 /nfs/dbraw/zinc/45/84/31/571458431.db2.gz PUNNQKXGKNOLTB-CCGAKOMISA-N 0 1 732.714 4.844 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164388759 571547034 /nfs/dbraw/zinc/54/70/34/571547034.db2.gz XOYMPUUJTIVDQQ-ZSOIEALJSA-N 0 1 664.365 4.879 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164401800 571547169 /nfs/dbraw/zinc/54/71/69/571547169.db2.gz KGMCOXIADQACRL-LICLKQGHSA-N 0 1 633.395 4.757 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164401930 571547306 /nfs/dbraw/zinc/54/73/06/571547306.db2.gz NEEQMSOVHYXHBG-LICLKQGHSA-N 0 1 633.395 4.757 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000164402067 571547254 /nfs/dbraw/zinc/54/72/54/571547254.db2.gz UTUDXOKPBLXSSC-LZYBPNLTSA-N 0 1 632.407 4.578 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000164406886 571547526 /nfs/dbraw/zinc/54/75/26/571547526.db2.gz RYAHGZKFPIRHLL-RQZCQDPDSA-N 0 1 646.434 4.968 40 10 KJCBMN CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164480019 571548930 /nfs/dbraw/zinc/54/89/30/571548930.db2.gz JJQFYMBRJIMLRH-WUXMJOGZSA-N 0 1 668.092 4.531 40 10 KJCBMN CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)cc2)s1 ZINC000206465974 571572708 /nfs/dbraw/zinc/57/27/08/571572708.db2.gz UERAIRYTXCZKJR-PDGQHHTCSA-N 0 1 575.514 4.999 40 10 KJCBMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1)c1ccc(Cl)cc1Cl ZINC000224642225 571593367 /nfs/dbraw/zinc/59/33/67/571593367.db2.gz RWUWILIHGRYORX-UHFFFAOYSA-N 0 1 526.471 4.566 40 10 KJCBMN CC(=O)C(=NNc1ccccc1OCCOc1ccccc1N=N[C@@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000255995512 572304750 /nfs/dbraw/zinc/30/47/50/572304750.db2.gz PUNNQKXGKNOLTB-ACHIHNKUSA-N 0 1 732.714 4.844 40 10 KJCBMN CC(=O)C(=NNc1ccccc1OCCOc1ccccc1N=N[C@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000255995514 572304678 /nfs/dbraw/zinc/30/46/78/572304678.db2.gz PUNNQKXGKNOLTB-ROJLCIKYSA-N 0 1 732.714 4.844 40 10 KJCBMN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[nH]n(-c4ccc(Br)c(C)c4)c3=O)cc21 ZINC000408526204 572157004 /nfs/dbraw/zinc/15/70/04/572157004.db2.gz AIILLNLIUQWAFL-VBKFSLOCSA-N 0 1 527.379 4.540 40 10 KJCBMN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[nH]n(-c4ccc(Br)c(C)c4C)c3=O)cc21 ZINC000408526388 572157678 /nfs/dbraw/zinc/15/76/78/572157678.db2.gz BFLJBMMNMADBSK-VBKFSLOCSA-N 0 1 541.406 4.849 40 10 KJCBMN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408527074 572159498 /nfs/dbraw/zinc/15/94/98/572159498.db2.gz DVMBEJNMLLPGQQ-XFXZXTDPSA-N 0 1 509.191 4.665 40 10 KJCBMN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408527315 572159700 /nfs/dbraw/zinc/15/97/00/572159700.db2.gz DIBNLFMVOZQNJT-KAMYIIQDSA-N 0 1 534.835 4.699 40 10 KJCBMN COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2C)c1=O ZINC000408533598 572184104 /nfs/dbraw/zinc/18/41/04/572184104.db2.gz TVDOUBLPLRPGFP-HKWRFOASSA-N 0 1 547.475 4.659 40 10 KJCBMN CCn1c(=O)n(CC)c2cc(N=Cc3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)c(Br)cc21 ZINC000408534523 572186159 /nfs/dbraw/zinc/18/61/59/572186159.db2.gz VWMOKLGDRDWIJP-VBKFSLOCSA-N 0 1 502.800 4.977 40 10 KJCBMN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)c(Br)cc21 ZINC000408534523 572186157 /nfs/dbraw/zinc/18/61/57/572186157.db2.gz VWMOKLGDRDWIJP-VBKFSLOCSA-N 0 1 502.800 4.977 40 10 KJCBMN COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1c(C)[nH]n(-c2ccc(Br)c(C)c2C)c1=O ZINC000408535657 572189066 /nfs/dbraw/zinc/18/90/66/572189066.db2.gz UDKZUGIBLLEAOL-HKWRFOASSA-N 0 1 561.502 4.968 40 10 KJCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408535969 572189756 /nfs/dbraw/zinc/18/97/56/572189756.db2.gz UVXCDJSDBPUFNW-WQLSENKSSA-N 0 1 505.170 4.820 40 10 KJCBMN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408535969 572189754 /nfs/dbraw/zinc/18/97/54/572189754.db2.gz UVXCDJSDBPUFNW-WQLSENKSSA-N 0 1 505.170 4.820 40 10 KJCBMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408536045 572190237 /nfs/dbraw/zinc/19/02/37/572190237.db2.gz VKAQUFZHKYKYPA-HFTWOUSFSA-N 0 1 593.776 4.815 40 10 KJCBMN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408537237 572193649 /nfs/dbraw/zinc/19/36/49/572193649.db2.gz ZRGWEAKZNBTIOL-XIEYBQDHSA-N 0 1 526.637 4.789 40 10 KJCBMN CCOc1cc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537416 572194459 /nfs/dbraw/zinc/19/44/59/572194459.db2.gz DVRLTZNIJZPHSQ-UHFFFAOYSA-N 0 1 581.419 4.764 40 10 KJCBMN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537962 572196640 /nfs/dbraw/zinc/19/66/40/572196640.db2.gz IPIQKRMOVSOTRS-UHFFFAOYSA-N 0 1 536.968 4.655 40 10 KJCBMN CCOc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408537965 572196630 /nfs/dbraw/zinc/19/66/30/572196630.db2.gz IQJBLFKDJCLHQK-UHFFFAOYSA-N 0 1 506.942 4.646 40 10 KJCBMN CCOc1cc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408538343 572198033 /nfs/dbraw/zinc/19/80/33/572198033.db2.gz LHNVGIRHSGYSAC-UHFFFAOYSA-N 0 1 551.393 4.755 40 10 KJCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538440 572198021 /nfs/dbraw/zinc/19/80/21/572198021.db2.gz MXKWJXQPRAVEPU-UHFFFAOYSA-N 0 1 536.968 4.655 40 10 KJCBMN CCn1c(=O)n(CC)c2cc(N=Cc3c(C)[nH]n(-c4ccc(Cl)cc4)c3=O)c(Br)cc21 ZINC000408538717 572199469 /nfs/dbraw/zinc/19/94/69/572199469.db2.gz PRRGPKBCBLUPPQ-VBKFSLOCSA-N 0 1 502.800 4.977 40 10 KJCBMN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)c(Br)cc21 ZINC000408538717 572199468 /nfs/dbraw/zinc/19/94/68/572199468.db2.gz PRRGPKBCBLUPPQ-VBKFSLOCSA-N 0 1 502.800 4.977 40 10 KJCBMN COc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539306 572201394 /nfs/dbraw/zinc/20/13/94/572201394.db2.gz VGQKTUAMBRTFCS-UHFFFAOYSA-N 0 1 527.360 4.909 40 10 KJCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539486 572202633 /nfs/dbraw/zinc/20/26/33/572202633.db2.gz WORCNJBEGYDYBM-UHFFFAOYSA-N 0 1 581.419 4.764 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408540602 572206095 /nfs/dbraw/zinc/20/60/95/572206095.db2.gz AGOLOVUXLHKSKQ-NLRVBDNBSA-N 0 1 585.682 4.740 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540717 572206417 /nfs/dbraw/zinc/20/64/17/572206417.db2.gz BDJUMCVMHKTEPI-HAVVHWLPSA-N 0 1 573.646 4.871 40 10 KJCBMN CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C(=O)NC1=S ZINC000408541239 572208445 /nfs/dbraw/zinc/20/84/45/572208445.db2.gz FLNAHCOWWAVKMS-LFVJCYFKSA-N 0 1 523.614 4.870 40 10 KJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408541326 572208514 /nfs/dbraw/zinc/20/85/14/572208514.db2.gz FYEULLJYGBRRRB-MFKUBSTISA-N 0 1 539.613 4.706 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1 ZINC000408541733 572209195 /nfs/dbraw/zinc/20/91/95/572209195.db2.gz FPVAWIBRVOWLHS-BUVRLJJBSA-N 0 1 523.614 4.924 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c3ccccc32)c1 ZINC000408542312 572210181 /nfs/dbraw/zinc/21/01/81/572210181.db2.gz KNLWOQPBFRFXMM-BUVRLJJBSA-N 0 1 509.587 4.616 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1 ZINC000408542678 572210516 /nfs/dbraw/zinc/21/05/16/572210516.db2.gz MYYSGLVMIZYNEV-MFKUBSTISA-N 0 1 523.614 4.924 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 ZINC000408542705 572210745 /nfs/dbraw/zinc/21/07/45/572210745.db2.gz NMCIDDVBGMASRW-OEAKJJBVSA-N 0 1 530.005 4.961 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c3ccccc32)c1 ZINC000408542985 572211448 /nfs/dbraw/zinc/21/14/48/572211448.db2.gz MPCADTWAQLKGEJ-BUVRLJJBSA-N 0 1 509.587 4.616 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000408543620 572213160 /nfs/dbraw/zinc/21/31/60/572213160.db2.gz PKXOBRHOAPDBTB-MFKUBSTISA-N 0 1 523.614 4.924 40 10 KJCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1 ZINC000408543725 572213825 /nfs/dbraw/zinc/21/38/25/572213825.db2.gz SKVBGMNQFWSOTL-YDZHTSKRSA-N 0 1 530.005 4.961 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543727 572213638 /nfs/dbraw/zinc/21/36/38/572213638.db2.gz SLTJSZQZXBABLE-XIEYBQDHSA-N 0 1 555.656 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O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408549978 572232787 /nfs/dbraw/zinc/23/27/87/572232787.db2.gz AGAUVSGMAFWMQR-UNOMPAQXSA-N 0 1 526.401 4.842 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550363 572233892 /nfs/dbraw/zinc/23/38/92/572233892.db2.gz DCVXTUOKVCNDAA-WQRHYEAKSA-N 0 1 556.427 4.851 40 10 KJCBMN O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552537 572238694 /nfs/dbraw/zinc/23/86/94/572238694.db2.gz JJTFQROKQCCGBZ-PDGQHHTCSA-N 0 1 526.401 4.842 40 10 KJCBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552846 572238993 /nfs/dbraw/zinc/23/89/93/572238993.db2.gz KRYGPRQRKQNKNV-UNOMPAQXSA-N 0 1 526.401 4.842 40 10 KJCBMN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408586475 572266188 /nfs/dbraw/zinc/26/61/88/572266188.db2.gz AIYWUYCKEWLFJY-GOSISDBHSA-N 0 1 515.031 4.911 40 10 KJCBMN 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CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408692288 1066535984 /nfs/dbraw/zinc/53/59/84/1066535984.db2.gz JCNJQJLIVHODHV-YBFXNURJSA-N 0 1 531.378 4.970 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408692321 1066196283 /nfs/dbraw/zinc/19/62/83/1066196283.db2.gz JSHQMIICIMPRQA-ZDLGFXPLSA-N 0 1 580.806 4.937 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408692336 1066535583 /nfs/dbraw/zinc/53/55/83/1066535583.db2.gz KDJKFIFXUORRKN-VCHYOVAHSA-N 0 1 672.257 4.888 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408692381 1066536075 /nfs/dbraw/zinc/53/60/75/1066536075.db2.gz LHCMKZRVFVLNKM-LICLKQGHSA-N 0 1 517.351 4.580 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408692386 1066536065 /nfs/dbraw/zinc/53/60/65/1066536065.db2.gz LJJBRBIXBHZGJC-DEDYPNTBSA-N 0 1 513.388 4.831 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408692393 1066535893 /nfs/dbraw/zinc/53/58/93/1066535893.db2.gz LNMHSWWRQJLXQE-OEAKJJBVSA-N 0 1 515.526 4.594 40 10 KJCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2I)cc1 ZINC000408692482 1066535642 /nfs/dbraw/zinc/53/56/42/1066535642.db2.gz NJOVDCSRFUOKFV-XDHOZWIPSA-N 0 1 530.362 4.583 40 10 KJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408692497 1066535475 /nfs/dbraw/zinc/53/54/75/1066535475.db2.gz NTZPLRYUQDRZQE-WOJGMQOQSA-N 0 1 550.780 4.928 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408692526 1066535328 /nfs/dbraw/zinc/53/53/28/1066535328.db2.gz OKMLXEJQLYRBGE-YBFXNURJSA-N 0 1 513.388 4.750 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408692571 1066535527 /nfs/dbraw/zinc/53/55/27/1066535527.db2.gz PMVUEFXLEADJKF-VCHYOVAHSA-N 0 1 517.351 4.580 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408692584 1066535435 /nfs/dbraw/zinc/53/54/35/1066535435.db2.gz PWGJIOBASZGFSM-YBFXNURJSA-N 0 1 531.378 4.970 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408692609 1066535410 /nfs/dbraw/zinc/53/54/10/1066535410.db2.gz QOTCXGVXIDJEMI-LICLKQGHSA-N 0 1 517.351 4.580 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408692648 1066535453 /nfs/dbraw/zinc/53/54/53/1066535453.db2.gz RNJBJTMGWKGSGA-YBFXNURJSA-N 0 1 513.388 4.750 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408692650 1066535625 /nfs/dbraw/zinc/53/56/25/1066535625.db2.gz ROHNZNUXKPICCO-DEDYPNTBSA-N 0 1 560.388 4.673 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408692734 1066535604 /nfs/dbraw/zinc/53/56/04/1066535604.db2.gz TZWWYIDIJPYMSQ-YBFXNURJSA-N 0 1 560.388 4.592 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408692788 1066535552 /nfs/dbraw/zinc/53/55/52/1066535552.db2.gz VKBILXCCNQDJRQ-YBFXNURJSA-N 0 1 513.388 4.750 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408692827 1066535393 /nfs/dbraw/zinc/53/53/93/1066535393.db2.gz WHUHBOCEOJBPBG-YBFXNURJSA-N 0 1 513.388 4.750 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408692838 1066535502 /nfs/dbraw/zinc/53/55/02/1066535502.db2.gz WOAINUNNQLFCHC-YBFXNURJSA-N 0 1 513.934 4.630 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408692868 1066535349 /nfs/dbraw/zinc/53/53/49/1066535349.db2.gz XGKJBPRJUDJFOA-VCHYOVAHSA-N 0 1 517.351 4.580 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408693892 1066533536 /nfs/dbraw/zinc/53/35/36/1066533536.db2.gz ASKAMBHALKSIDI-YBFXNURJSA-N 0 1 531.378 4.970 40 10 KJCBMN 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CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000408739881 1066571440 /nfs/dbraw/zinc/57/14/40/1066571440.db2.gz BJBTYBQABKTDGL-LPYMAVHISA-N 0 1 552.450 4.865 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740055 1066576239 /nfs/dbraw/zinc/57/62/39/1066576239.db2.gz CTCOWQUDMYEPLE-LPYMAVHISA-N 0 1 523.456 4.754 40 10 KJCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408740294 1066576254 /nfs/dbraw/zinc/57/62/54/1066576254.db2.gz FJWKUMLUMDJXMA-LFYBBSHMSA-N 0 1 575.076 4.814 40 10 KJCBMN CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1I ZINC000408740389 1066576275 /nfs/dbraw/zinc/57/62/75/1066576275.db2.gz GBGARKHSKWHALK-WUXMJOGZSA-N 0 1 682.119 4.840 40 10 KJCBMN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000408740508 1066575595 /nfs/dbraw/zinc/57/55/95/1066575595.db2.gz GPQRZCYTKWMPLG-WSDLNYQXSA-N 0 1 538.423 4.613 40 10 KJCBMN 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CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)c1 ZINC000408740883 1066575545 /nfs/dbraw/zinc/57/55/45/1066575545.db2.gz NIGAKFAYEKYQDT-XKZIYDEJSA-N 0 1 571.440 4.929 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408740902 1066575875 /nfs/dbraw/zinc/57/58/75/1066575875.db2.gz JBACKBPWUZYJRU-HYARGMPZSA-N 0 1 517.563 4.712 40 10 KJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408741054 1066574948 /nfs/dbraw/zinc/57/49/48/1066574948.db2.gz JTKOMYMXPFFKIO-NDENLUEZSA-N 0 1 539.411 4.905 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408741112 1066575224 /nfs/dbraw/zinc/57/52/24/1066575224.db2.gz KEVKPZVVFPGREP-RGVLZGJSSA-N 0 1 539.411 4.905 40 10 KJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000408741235 1066574826 /nfs/dbraw/zinc/57/48/26/1066574826.db2.gz KSVKEIWMIWNDLG-CPNJWEJPSA-N 0 1 525.380 4.717 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408741259 1066575123 /nfs/dbraw/zinc/57/51/23/1066575123.db2.gz LAVLDMGZMSKXOG-UDWIEESQSA-N 0 1 523.954 4.667 40 10 KJCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c1 ZINC000408741362 1066575063 /nfs/dbraw/zinc/57/50/63/1066575063.db2.gz PKIQEQXTTVFFJP-PDGQHHTCSA-N 0 1 542.367 4.847 40 10 KJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000408741473 1066575162 /nfs/dbraw/zinc/57/51/62/1066575162.db2.gz MEAVRFZYMVBFNY-GZTJUZNOSA-N 0 1 512.341 4.757 40 10 KJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408742150 1066574370 /nfs/dbraw/zinc/57/43/70/1066574370.db2.gz PRFHFXUUNNQUJI-CIAFOILYSA-N 0 1 538.379 4.768 40 10 KJCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408742225 1066574899 /nfs/dbraw/zinc/57/48/99/1066574899.db2.gz VJPQKPIKKRALDO-IOCYEQIYSA-N 0 1 508.603 4.933 40 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/nfs/dbraw/zinc/67/19/21/1066671921.db2.gz VRTZMBHTIDWPDM-MOSHPQCFSA-N 0 1 648.500 4.597 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408885553 1066670316 /nfs/dbraw/zinc/67/03/16/1066670316.db2.gz BWAKLVUABJEJNJ-MOSHPQCFSA-N 0 1 601.500 4.755 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408887545 1066676367 /nfs/dbraw/zinc/67/63/67/1066676367.db2.gz RLGLLOLLOKRFNT-PDGQHHTCSA-N 0 1 511.372 4.999 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408888802 1066676268 /nfs/dbraw/zinc/67/62/68/1066676268.db2.gz AXPKBQAQRSPCGR-UNOMPAQXSA-N 0 1 511.372 4.999 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408889315 1066682253 /nfs/dbraw/zinc/68/22/53/1066682253.db2.gz BQVSPJHMGBQOKJ-ODLFYWEKSA-N 0 1 588.398 4.849 40 10 KJCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408889423 1066682188 /nfs/dbraw/zinc/68/21/88/1066682188.db2.gz GPTKWRPDZQDGHD-MOSHPQCFSA-N 0 1 523.408 4.868 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1F ZINC000408889935 1066258881 /nfs/dbraw/zinc/25/88/81/1066258881.db2.gz LJHUKOZRBYLSMR-UYRXBGFRSA-N 0 1 511.372 4.999 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892992 1066679721 /nfs/dbraw/zinc/67/97/21/1066679721.db2.gz DOJHFNHCVHJXRN-MOSHPQCFSA-N 0 1 557.049 4.646 40 10 KJCBMN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408895514 1066678467 /nfs/dbraw/zinc/67/84/67/1066678467.db2.gz KYKQQVJENBZPDP-ULJHMMPZSA-N 0 1 528.611 4.747 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408897493 1066691607 /nfs/dbraw/zinc/69/16/07/1066691607.db2.gz XIJXVNOQECYBSP-WQRHYEAKSA-N 0 1 588.398 4.849 40 10 KJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1I ZINC000408904465 1066263708 /nfs/dbraw/zinc/26/37/08/1066263708.db2.gz JWWQWGOXJNUTDY-NTEUORMPSA-N 0 1 571.234 4.592 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408916245 1066695396 /nfs/dbraw/zinc/69/53/96/1066695396.db2.gz ABRJFDGHFOBEPJ-ODLFYWEKSA-N 0 1 603.369 4.749 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408916250 1066695476 /nfs/dbraw/zinc/69/54/76/1066695476.db2.gz AEVJGRNQHDFIDP-BKUYFWCQSA-N 0 1 558.372 4.841 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408916290 1066694890 /nfs/dbraw/zinc/69/48/90/1066694890.db2.gz BCTYHWVBJUMZCB-UDWIEESQSA-N 0 1 545.377 4.669 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408916346 1066268891 /nfs/dbraw/zinc/26/88/91/1066268891.db2.gz CEIFDJJNHXSSAC-ODLFYWEKSA-N 0 1 556.369 4.907 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000408916538 1066694739 /nfs/dbraw/zinc/69/47/39/1066694739.db2.gz DVUCHSDDWGLCEI-MOSHPQCFSA-N 0 1 511.372 4.999 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408916672 1066268788 /nfs/dbraw/zinc/26/87/88/1066268788.db2.gz FXVCDGHDLQJKDD-GRSHGNNSSA-N 0 1 602.413 4.585 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408916737 1066268873 /nfs/dbraw/zinc/26/88/73/1066268873.db2.gz GRIODDZHTYNKNO-JAIQZWGSSA-N 0 1 598.450 4.754 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408916880 1066693458 /nfs/dbraw/zinc/69/34/58/1066693458.db2.gz HXDGODGIXURCJI-GRSHGNNSSA-N 0 1 606.388 4.988 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408916901 1066694273 /nfs/dbraw/zinc/69/42/73/1066694273.db2.gz IIPNMJOLYFNALC-ODLFYWEKSA-N 0 1 556.369 4.907 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408916910 1066694231 /nfs/dbraw/zinc/69/42/31/1066694231.db2.gz INXWLTYZGIUQSG-NDENLUEZSA-N 0 1 556.369 4.907 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408916955 1066694251 /nfs/dbraw/zinc/69/42/51/1066694251.db2.gz JKFJEUPDOMDOID-NDENLUEZSA-N 0 1 556.369 4.907 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408916980 1066267318 /nfs/dbraw/zinc/26/73/18/1066267318.db2.gz JXDOPFPMLHKGFV-GRSHGNNSSA-N 0 1 586.395 4.915 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408917024 1066693351 /nfs/dbraw/zinc/69/33/51/1066693351.db2.gz KZNOPEWCIUVFNI-GRSHGNNSSA-N 0 1 586.395 4.915 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408917039 1066693424 /nfs/dbraw/zinc/69/34/24/1066693424.db2.gz LHYSLLCLJPAMCR-UNOMPAQXSA-N 0 1 511.372 4.999 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408917042 1066693517 /nfs/dbraw/zinc/69/35/17/1066693517.db2.gz LJMBMNDXTGKHSQ-ODLFYWEKSA-N 0 1 576.362 4.980 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408917175 1066267131 /nfs/dbraw/zinc/26/71/31/1066267131.db2.gz OHQIROXAITZEAW-ODLFYWEKSA-N 0 1 588.398 4.849 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408917286 1066707238 /nfs/dbraw/zinc/70/72/38/1066707238.db2.gz QJIPFBXYXAKCRR-JAIQZWGSSA-N 0 1 598.450 4.754 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408917327 1066267197 /nfs/dbraw/zinc/26/71/97/1066267197.db2.gz REWKTUGIKVEOIM-BKUYFWCQSA-N 0 1 521.526 4.543 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408917337 1066707356 /nfs/dbraw/zinc/70/73/56/1066707356.db2.gz RJAZTPXSTHMHMC-XKZIYDEJSA-N 0 1 500.511 4.568 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408917498 1066707414 /nfs/dbraw/zinc/70/74/14/1066707414.db2.gz VRORNYSWGZBGPA-GRSHGNNSSA-N 0 1 586.395 4.915 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408918014 1066706888 /nfs/dbraw/zinc/70/68/88/1066706888.db2.gz FBAXXTVLBSYCHP-NDENLUEZSA-N 0 1 598.450 4.836 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408918076 1066706670 /nfs/dbraw/zinc/70/66/70/1066706670.db2.gz FUDFNOLDITXADK-NDENLUEZSA-N 0 1 645.450 4.678 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(I)cc1 ZINC000408918297 1066706849 /nfs/dbraw/zinc/70/68/49/1066706849.db2.gz ISGDSMPRKDLCJH-MOSHPQCFSA-N 0 1 558.372 4.841 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408918510 1066270142 /nfs/dbraw/zinc/27/01/42/1066270142.db2.gz LHUJTRBDGFPRPU-BKUYFWCQSA-N 0 1 511.372 4.999 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408918590 1066270863 /nfs/dbraw/zinc/27/08/63/1066270863.db2.gz MHOLUAJBPAEUAK-WQRHYEAKSA-N 0 1 576.362 4.980 40 10 KJCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000408918712 1066706208 /nfs/dbraw/zinc/70/62/08/1066706208.db2.gz OCWRTHFWWIRMAJ-UCQKPKSFSA-N 0 1 512.566 4.559 40 10 KJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408918843 1066706037 /nfs/dbraw/zinc/70/60/37/1066706037.db2.gz PRBDJSXTTXLDRM-GRSHGNNSSA-N 0 1 586.395 4.915 40 10 KJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(I)c1 ZINC000408918946 1066271096 /nfs/dbraw/zinc/27/10/96/1066271096.db2.gz RAAGXJMUSZKCHH-UNOMPAQXSA-N 0 1 558.372 4.841 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408918965 1066706013 /nfs/dbraw/zinc/70/60/13/1066706013.db2.gz RFWZINFKDZMMPF-BKUYFWCQSA-N 0 1 521.526 4.543 40 10 KJCBMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408926767 1066271939 /nfs/dbraw/zinc/27/19/39/1066271939.db2.gz YIPDDBJFGQTDMN-UHFFFAOYSA-N 0 1 540.535 4.932 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c(C)c1 ZINC000408931709 1066273027 /nfs/dbraw/zinc/27/30/27/1066273027.db2.gz PGBPYIKEQWACNU-HYARGMPZSA-N 0 1 501.608 4.637 40 10 KJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S ZINC000408949958 1066283663 /nfs/dbraw/zinc/28/36/63/1066283663.db2.gz CSRCOLVNLQUPFH-BJMVGYQFSA-N 0 1 596.038 4.549 40 10 KJCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408953954 1066286943 /nfs/dbraw/zinc/28/69/43/1066286943.db2.gz QZBACSLTUDRRGO-XBXARRHUSA-N 0 1 572.005 4.785 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408963957 1066739796 /nfs/dbraw/zinc/73/97/96/1066739796.db2.gz AUFZHXOFIRQTFS-GIJQJNRQSA-N 0 1 512.950 4.935 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)c1 ZINC000408964719 1066739262 /nfs/dbraw/zinc/73/92/62/1066739262.db2.gz DGDRJECOFGABQK-LPYMAVHISA-N 0 1 552.450 4.865 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)c1 ZINC000408965162 1066290551 /nfs/dbraw/zinc/29/05/51/1066290551.db2.gz GQTAPZWZZJREJN-LFVJCYFKSA-N 0 1 501.608 4.665 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1 ZINC000408965482 1066290677 /nfs/dbraw/zinc/29/06/77/1066290677.db2.gz HWXCTYSTDLZERO-YBFXNURJSA-N 0 1 511.962 4.505 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1C ZINC000408965513 1066739283 /nfs/dbraw/zinc/73/92/83/1066739283.db2.gz IDSKXCNFFDAGSZ-YBFXNURJSA-N 0 1 525.989 4.813 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 ZINC000408965523 1066739416 /nfs/dbraw/zinc/73/94/16/1066739416.db2.gz IDCCDYVBDPGDLY-BUVRLJJBSA-N 0 1 501.608 4.719 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)c1 ZINC000408965850 1066739331 /nfs/dbraw/zinc/73/93/31/1066739331.db2.gz JCRIRILIXZYQAW-HYARGMPZSA-N 0 1 507.999 4.756 40 10 KJCBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408966047 1066739271 /nfs/dbraw/zinc/73/92/71/1066739271.db2.gz LEHRIYWTVFQGLQ-WOJGMQOQSA-N 0 1 511.962 4.505 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000408966255 1066202151 /nfs/dbraw/zinc/20/21/51/1066202151.db2.gz KXHOYMISOVMECY-BUVRLJJBSA-N 0 1 501.608 4.719 40 10 KJCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408966413 1066738879 /nfs/dbraw/zinc/73/88/79/1066738879.db2.gz MQMVPKCELKMJSN-RGVLZGJSSA-N 0 1 510.978 4.676 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)c1 ZINC000408966509 1066738815 /nfs/dbraw/zinc/73/88/15/1066738815.db2.gz LZIMJWIHQBFBAL-LPYMAVHISA-N 0 1 507.999 4.756 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2C)c1 ZINC000408966567 1066738835 /nfs/dbraw/zinc/73/88/35/1066738835.db2.gz MFPXSRDISHVWNS-XQNSMLJCSA-N 0 1 501.608 4.665 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c(C)c1 ZINC000408967032 1066738722 /nfs/dbraw/zinc/73/87/22/1066738722.db2.gz PGMWAVYMHUZBOU-YBFXNURJSA-N 0 1 525.989 4.813 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2C)c1 ZINC000408967093 1066738696 /nfs/dbraw/zinc/73/86/96/1066738696.db2.gz PDVFPMMHUMXGGI-BUVRLJJBSA-N 0 1 517.607 4.501 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1 ZINC000408967184 1066738745 /nfs/dbraw/zinc/73/87/45/1066738745.db2.gz QIMIQLBAGMDGEE-UDWIEESQSA-N 0 1 525.989 4.895 40 10 KJCBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408967224 1066738768 /nfs/dbraw/zinc/73/87/68/1066738768.db2.gz RCSOWYQQNDXTBB-RQZCQDPDSA-N 0 1 528.949 4.635 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967433 1066291174 /nfs/dbraw/zinc/29/11/74/1066291174.db2.gz RHPKPSDWUSQDFG-YBFXNURJSA-N 0 1 511.962 4.505 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408967758 1066744891 /nfs/dbraw/zinc/74/48/91/1066744891.db2.gz UPBRRAXEQMOYQI-VCHYOVAHSA-N 0 1 512.950 4.935 40 10 KJCBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408967791 1066745518 /nfs/dbraw/zinc/74/55/18/1066745518.db2.gz UXFNCWVQINZUQU-RQZCQDPDSA-N 0 1 528.949 4.635 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)c1 ZINC000408967848 1066291201 /nfs/dbraw/zinc/29/12/01/1066291201.db2.gz SJWWQPGQZJIRNU-LFVJCYFKSA-N 0 1 517.607 4.501 40 10 KJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1 ZINC000408968202 1066745024 /nfs/dbraw/zinc/74/50/24/1066745024.db2.gz XEFXHKBABUXQKI-VXLYETTFSA-N 0 1 525.989 4.813 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 ZINC000408968371 1066745111 /nfs/dbraw/zinc/74/51/11/1066745111.db2.gz WCQFVUQXYHPVRR-HZHRSRAPSA-N 0 1 501.608 4.719 40 10 KJCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408968468 1066744912 /nfs/dbraw/zinc/74/49/12/1066744912.db2.gz ZCVZDSPDZUSEMA-UDWIEESQSA-N 0 1 525.989 4.895 40 10 KJCBMN CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OCC)cc1 ZINC000408972093 1066744051 /nfs/dbraw/zinc/74/40/51/1066744051.db2.gz RUFIIKPCPSUZMK-UHFFFAOYSA-N 0 1 531.005 4.905 40 10 KJCBMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972798 1066292078 /nfs/dbraw/zinc/29/20/78/1066292078.db2.gz VOCQOGMDIAXLKY-WDZFZDKYSA-N 0 1 584.073 4.950 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408985235 1066748805 /nfs/dbraw/zinc/74/88/05/1066748805.db2.gz AJRGPUOZKOMNJD-OEAKJJBVSA-N 0 1 548.617 4.521 40 10 KJCBMN C=C1N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408986757 1066747435 /nfs/dbraw/zinc/74/74/35/1066747435.db2.gz DKIIAWJGEGSWHK-HSZRJFAPSA-N 0 1 501.052 4.924 40 10 KJCBMN C=C1N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408986758 1066294081 /nfs/dbraw/zinc/29/40/81/1066294081.db2.gz DKIIAWJGEGSWHK-QHCPKHFHSA-N 0 1 501.052 4.924 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408987257 1066746997 /nfs/dbraw/zinc/74/69/97/1066746997.db2.gz FKBRMYJWFIJGFX-OEAKJJBVSA-N 0 1 532.618 4.821 40 10 KJCBMN Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408988766 1066296705 /nfs/dbraw/zinc/29/67/05/1066296705.db2.gz FVCMXXSUCBVJLC-VGOFMYFVSA-N 0 1 532.028 4.699 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000408989172 1066760239 /nfs/dbraw/zinc/76/02/39/1066760239.db2.gz HDVFSAOMQDYMQU-RVDMUPIBSA-N 0 1 508.562 4.780 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408989564 1066759078 /nfs/dbraw/zinc/75/90/78/1066759078.db2.gz IEWLNPCYLGGVST-WOJGMQOQSA-N 0 1 578.035 4.515 40 10 KJCBMN COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2OC)c1 ZINC000408990116 1066758664 /nfs/dbraw/zinc/75/86/64/1066758664.db2.gz MOXGOXLMCNHOBS-YDZHTSKRSA-N 0 1 532.618 4.740 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408992022 1066757046 /nfs/dbraw/zinc/75/70/46/1066757046.db2.gz PZYGGSIXLDDOHZ-MHWRWJLKSA-N 0 1 510.984 4.934 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408992966 1066756537 /nfs/dbraw/zinc/75/65/37/1066756537.db2.gz UHFRBEXEQZUAPA-FYJGNVAPSA-N 0 1 546.630 4.774 40 10 KJCBMN COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2)c1 ZINC000408993166 1066756409 /nfs/dbraw/zinc/75/64/09/1066756409.db2.gz VNIJDJSFGJMXBJ-ZVHZXABRSA-N 0 1 502.592 4.731 40 10 KJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408993269 1066756329 /nfs/dbraw/zinc/75/63/29/1066756329.db2.gz DAKOYHRBWCMSJH-XKZIYDEJSA-N 0 1 508.372 4.527 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993767 1066297896 /nfs/dbraw/zinc/29/78/96/1066297896.db2.gz XKSFRVLTDULYPV-HYARGMPZSA-N 0 1 518.591 4.513 40 10 KJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408994309 1066755843 /nfs/dbraw/zinc/75/58/43/1066755843.db2.gz ZFGGPHYYHQBOSL-FYJGNVAPSA-N 0 1 546.630 4.774 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408994604 1066755564 /nfs/dbraw/zinc/75/55/64/1066755564.db2.gz ZWWKYROVYMJGMH-DEDYPNTBSA-N 0 1 546.630 4.774 40 10 KJCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994777 1066297920 /nfs/dbraw/zinc/29/79/20/1066297920.db2.gz JAJCEHLPTDSNOU-UHFFFAOYSA-N 0 1 579.028 4.855 40 10 KJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408996569 1066296978 /nfs/dbraw/zinc/29/69/78/1066296978.db2.gz QDAOGTBAOICJIX-KGENOOAVSA-N 0 1 540.382 4.702 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408999132 1066767256 /nfs/dbraw/zinc/76/72/56/1066767256.db2.gz KKNOXUAWXPFZAS-HYARGMPZSA-N 0 1 570.408 4.710 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409007302 1066775152 /nfs/dbraw/zinc/77/51/52/1066775152.db2.gz NQQQDHVSVCHFKU-XHPQRKPJSA-N 0 1 555.660 4.712 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC ZINC000409009226 1066774185 /nfs/dbraw/zinc/77/41/85/1066774185.db2.gz CDIULUOGRSVJDV-LICLKQGHSA-N 0 1 503.418 4.695 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC(C)C ZINC000409010130 1066773689 /nfs/dbraw/zinc/77/36/89/1066773689.db2.gz JRFWGNYIXXNCBP-VCHYOVAHSA-N 0 1 564.445 4.925 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)c1C ZINC000409010736 1066773675 /nfs/dbraw/zinc/77/36/75/1066773675.db2.gz DIUHSZLMRUANGV-OEAKJJBVSA-N 0 1 501.608 4.637 40 10 KJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c1 ZINC000409013042 1066302128 /nfs/dbraw/zinc/30/21/28/1066302128.db2.gz MAPOOOBFLMTNNC-DEDYPNTBSA-N 0 1 527.387 4.530 40 10 KJCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000409014302 1066303414 /nfs/dbraw/zinc/30/34/14/1066303414.db2.gz XAEWVWRBVZGFOM-LICLKQGHSA-N 0 1 503.418 4.695 40 10 KJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409014643 1066770536 /nfs/dbraw/zinc/77/05/36/1066770536.db2.gz XUDWMCCNVFKXRD-LDADJPATSA-N 0 1 531.229 4.834 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC(C)C ZINC000409016521 1066769442 /nfs/dbraw/zinc/76/94/42/1066769442.db2.gz DAVCYYWTKZZVRN-RQZCQDPDSA-N 0 1 550.418 4.535 40 10 KJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409016841 1066768917 /nfs/dbraw/zinc/76/89/17/1066768917.db2.gz KAZFWIZNKJPZPE-JAIQZWGSSA-N 0 1 559.404 4.978 40 10 KJCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409018909 1066782758 /nfs/dbraw/zinc/78/27/58/1066782758.db2.gz WUUALPWMJLPVOL-YBEGLDIGSA-N 0 1 516.304 4.588 40 10 KJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 ZINC000409020275 1066305259 /nfs/dbraw/zinc/30/52/59/1066305259.db2.gz NKQOJIRBQAGZIB-YDZHTSKRSA-N 0 1 501.608 4.637 40 10 KJCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c3ccccc32)c1 ZINC000409022173 1066780444 /nfs/dbraw/zinc/78/04/44/1066780444.db2.gz HOHAIZPSIJBFEZ-YDZHTSKRSA-N 0 1 512.566 4.559 40 10 KJCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409022708 1066779911 /nfs/dbraw/zinc/77/99/11/1066779911.db2.gz QAAOXKQSUVHIRC-WSDLNYQXSA-N 0 1 500.511 4.568 40 10 KJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409023444 1066778867 /nfs/dbraw/zinc/77/88/67/1066778867.db2.gz MRUGNIKQWOXFDN-JAIQZWGSSA-N 0 1 545.377 4.669 40 10 KJCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c3ccccc32)cc1 ZINC000409023814 1066778425 /nfs/dbraw/zinc/77/84/25/1066778425.db2.gz QTGJJMFUFDRVOC-YDZHTSKRSA-N 0 1 512.566 4.559 40 10 KJCBMN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000409043387 1066803906 /nfs/dbraw/zinc/80/39/06/1066803906.db2.gz QNFARXOBWULKNL-UHFFFAOYSA-N 0 1 549.002 4.847 40 10 KJCBMN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C(=O)N1 ZINC000409055036 1066816083 /nfs/dbraw/zinc/81/60/83/1066816083.db2.gz HRXKVGFHLOYVTL-UHFFFAOYSA-N 0 1 530.172 4.693 40 10 KJCBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409063647 1066829567 /nfs/dbraw/zinc/82/95/67/1066829567.db2.gz DDBCYYBCKIHGJX-WOJGMQOQSA-N 0 1 524.986 4.804 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409064638 1066828438 /nfs/dbraw/zinc/82/84/38/1066828438.db2.gz DSWDFAFARXNDNX-XDHOZWIPSA-N 0 1 510.015 4.904 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409066352 1066825090 /nfs/dbraw/zinc/82/50/90/1066825090.db2.gz AGPFAGIHNJIZLA-DEDYPNTBSA-N 0 1 507.999 4.674 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)cc1OC ZINC000409068765 1066844088 /nfs/dbraw/zinc/84/40/88/1066844088.db2.gz BXJPMBNMFMNXPQ-MDWZMJQESA-N 0 1 509.809 4.650 40 10 KJCBMN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409083984 1066852862 /nfs/dbraw/zinc/85/28/62/1066852862.db2.gz UZXPOXCVIQGHFR-UHFFFAOYSA-N 0 1 579.079 4.680 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1O ZINC000409087001 1066321073 /nfs/dbraw/zinc/32/10/73/1066321073.db2.gz IGZCENBIGJLCSK-UXBLZVDNSA-N 0 1 560.651 4.719 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409093700 1066204335 /nfs/dbraw/zinc/20/43/35/1066204335.db2.gz AOMYUIARGNZVQF-GZTJUZNOSA-N 0 1 513.369 4.558 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC ZINC000409094066 1066862334 /nfs/dbraw/zinc/86/23/34/1066862334.db2.gz BTGNAVRLWUGGHV-MDWZMJQESA-N 0 1 509.809 4.650 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409095354 1066859916 /nfs/dbraw/zinc/85/99/16/1066859916.db2.gz CBYBLOUVROJTEY-RGVLZGJSSA-N 0 1 510.015 4.904 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000409095400 1066859445 /nfs/dbraw/zinc/85/94/45/1066859445.db2.gz AZHKTPCQMZWLHF-FYJGNVAPSA-N 0 1 515.566 4.677 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409095478 1066859476 /nfs/dbraw/zinc/85/94/76/1066859476.db2.gz BHPSXGILYQHTGO-BOPFTXTBSA-N 0 1 513.369 4.558 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409095667 1066859455 /nfs/dbraw/zinc/85/94/55/1066859455.db2.gz DEMWUOLXXIHVRC-LPYMAVHISA-N 0 1 503.624 4.868 40 10 KJCBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409095803 1066858881 /nfs/dbraw/zinc/85/88/81/1066858881.db2.gz IFNICXAFXADYBI-WOJGMQOQSA-N 0 1 524.986 4.804 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1C ZINC000409097344 1066879191 /nfs/dbraw/zinc/87/91/91/1066879191.db2.gz MZRKEIDPHPMKQH-DEDYPNTBSA-N 0 1 522.026 4.982 40 10 KJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 ZINC000409098897 1066877109 /nfs/dbraw/zinc/87/71/09/1066877109.db2.gz MONKPDNLHXHZEO-UDWIEESQSA-N 0 1 522.026 4.982 40 10 KJCBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409099105 1066322669 /nfs/dbraw/zinc/32/26/69/1066322669.db2.gz QHMKTNIZTZCEQL-CPNJWEJPSA-N 0 1 507.999 4.674 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409099423 1066322550 /nfs/dbraw/zinc/32/25/50/1066322550.db2.gz SHTNUIJRIAYDIO-RGVLZGJSSA-N 0 1 540.439 4.705 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409100231 1066874105 /nfs/dbraw/zinc/87/41/05/1066874105.db2.gz UQGYXUZNKPWKMX-GZTJUZNOSA-N 0 1 502.470 4.814 40 10 KJCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409100323 1066873992 /nfs/dbraw/zinc/87/39/92/1066873992.db2.gz ULXJUGPWXGTOBK-MDWZMJQESA-N 0 1 509.809 4.650 40 10 KJCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C ZINC000409100742 1066873312 /nfs/dbraw/zinc/87/33/12/1066873312.db2.gz WJNPICBJSOKDSB-HYARGMPZSA-N 0 1 503.624 4.813 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409101211 1066872355 /nfs/dbraw/zinc/87/23/55/1066872355.db2.gz AMNVVLQVEXPVBE-YBFXNURJSA-N 0 1 526.014 4.605 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409102632 1066886672 /nfs/dbraw/zinc/88/66/72/1066886672.db2.gz ZDGYFFLYNRXUHR-VCHYOVAHSA-N 0 1 558.429 4.844 40 10 KJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S ZINC000409102800 1066886823 /nfs/dbraw/zinc/88/68/23/1066886823.db2.gz UFHNEIPNZPVAFD-SFQUDFHCSA-N 0 1 547.805 4.875 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC ZINC000409103793 1066885276 /nfs/dbraw/zinc/88/52/76/1066885276.db2.gz YYAZOWZDEIOZJL-NTEUORMPSA-N 0 1 570.836 4.882 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000409104074 1066884799 /nfs/dbraw/zinc/88/47/99/1066884799.db2.gz DGABKKSNSITXKE-OEAKJJBVSA-N 0 1 511.603 4.847 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409104689 1066883621 /nfs/dbraw/zinc/88/36/21/1066883621.db2.gz HKKAREOBEOQQRQ-NDENLUEZSA-N 0 1 601.466 4.856 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 ZINC000409104796 1066883053 /nfs/dbraw/zinc/88/30/53/1066883053.db2.gz FMMGXGMCLNHRNL-DEDYPNTBSA-N 0 1 507.999 4.674 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1 ZINC000409105068 1066323821 /nfs/dbraw/zinc/32/38/21/1066323821.db2.gz GAHIRPPFEYCSSO-DEDYPNTBSA-N 0 1 522.026 4.982 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409105151 1066323659 /nfs/dbraw/zinc/32/36/59/1066323659.db2.gz GUAQQMOSRBNXRW-NDENLUEZSA-N 0 1 587.439 4.547 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409105913 1066881492 /nfs/dbraw/zinc/88/14/92/1066881492.db2.gz JYGKERGDBNTOKE-LDADJPATSA-N 0 1 540.439 4.705 40 10 KJCBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409107399 1066894929 /nfs/dbraw/zinc/89/49/29/1066894929.db2.gz PKMPLGUQUOZFNP-MDWZMJQESA-N 0 1 509.809 4.650 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c(OC)c1 ZINC000409107809 1066324159 /nfs/dbraw/zinc/32/41/59/1066324159.db2.gz QVTDORHCMFITFO-BOPFTXTBSA-N 0 1 527.396 4.866 40 10 KJCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409108053 1066324253 /nfs/dbraw/zinc/32/42/53/1066324253.db2.gz VHMZGXKSSLXIHY-NDENLUEZSA-N 0 1 540.439 4.705 40 10 KJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000409108198 1066894343 /nfs/dbraw/zinc/89/43/43/1066894343.db2.gz VYOGZUWHRMKRNN-WOJGMQOQSA-N 0 1 524.986 4.804 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC(C)C ZINC000409108948 1066893918 /nfs/dbraw/zinc/89/39/18/1066893918.db2.gz ZSOKCFJAHLQQKV-RIYZIHGNSA-N 0 1 570.836 4.880 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409122625 1066895868 /nfs/dbraw/zinc/89/58/68/1066895868.db2.gz AJMVTDZHIANYDV-HZHRSRAPSA-N 0 1 629.087 4.966 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409122897 1066895763 /nfs/dbraw/zinc/89/57/63/1066895763.db2.gz CSYOYCJOJLKJRF-FYJGNVAPSA-N 0 1 659.511 4.685 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409123053 1066895933 /nfs/dbraw/zinc/89/59/33/1066895933.db2.gz DKUUWEWLMGUKLV-XQNSMLJCSA-N 0 1 599.061 4.876 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409123569 1066895397 /nfs/dbraw/zinc/89/53/97/1066895397.db2.gz CUYDPNNSKDVPMD-OEAKJJBVSA-N 0 1 526.593 4.867 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000409123632 1066902874 /nfs/dbraw/zinc/90/28/74/1066902874.db2.gz HTUVHMNBMUJIFG-HZHRSRAPSA-N 0 1 585.034 4.567 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123679 1066902846 /nfs/dbraw/zinc/90/28/46/1066902846.db2.gz HIQPIIXPJGEOND-OEAKJJBVSA-N 0 1 548.567 4.873 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409124354 1066902433 /nfs/dbraw/zinc/90/24/33/1066902433.db2.gz BODZKBLNKARGHW-XQNSMLJCSA-N 0 1 643.512 4.985 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1OC ZINC000409124794 1066902099 /nfs/dbraw/zinc/90/20/99/1066902099.db2.gz KQNFQGGMSWIPCE-HAHDFKILSA-N 0 1 585.034 4.567 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1OC ZINC000409124804 1066325869 /nfs/dbraw/zinc/32/58/69/1066325869.db2.gz CPTPLJSFSXDLDE-HAHDFKILSA-N 0 1 518.541 4.864 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OC)c3)C2=O)cc1OC ZINC000409124848 1066901949 /nfs/dbraw/zinc/90/19/49/1066901949.db2.gz DAUXYFUIOFPHLE-WOJGMQOQSA-N 0 1 516.978 4.597 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O ZINC000409124930 1066901465 /nfs/dbraw/zinc/90/14/65/1066901465.db2.gz CHBAHCNCVMXVNM-MDWZMJQESA-N 0 1 554.260 4.764 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCCC)c(OC)c3)C2=O)cc1OC ZINC000409124942 1066901675 /nfs/dbraw/zinc/90/16/75/1066901675.db2.gz CKQISYXQPVOCCN-WOJGMQOQSA-N 0 1 608.429 4.548 40 10 KJCBMN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O ZINC000409124968 1066901534 /nfs/dbraw/zinc/90/15/34/1066901534.db2.gz CTJBRHMBZYSVKD-XMHGGMMESA-N 0 1 531.403 4.697 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409125306 1066901513 /nfs/dbraw/zinc/90/15/13/1066901513.db2.gz JRIUXHIYKNNADE-CJLVFECKSA-N 0 1 585.034 4.567 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409125368 1066901070 /nfs/dbraw/zinc/90/10/70/1066901070.db2.gz DAXMYPPHFZLWIP-XQNSMLJCSA-N 0 1 518.541 4.864 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1OC ZINC000409125496 1066901145 /nfs/dbraw/zinc/90/11/45/1066901145.db2.gz MSFHIOLXFOBJOZ-JLPGSUDCSA-N 0 1 500.551 4.725 40 10 KJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c(C)c1 ZINC000409125526 1066901120 /nfs/dbraw/zinc/90/11/20/1066901120.db2.gz MXBOESZVVCWEMI-CPNJWEJPSA-N 0 1 527.387 4.530 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C ZINC000409125609 1066901050 /nfs/dbraw/zinc/90/10/50/1066901050.db2.gz DGEUVEDKNSDWSY-LICLKQGHSA-N 0 1 564.445 4.925 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1OC ZINC000409125869 1066901184 /nfs/dbraw/zinc/90/11/84/1066901184.db2.gz GCRWNEHSKXFDLI-BUVRLJJBSA-N 0 1 545.548 4.633 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409126227 1066900393 /nfs/dbraw/zinc/90/03/93/1066900393.db2.gz HBFQINHQEBLARS-CXUHLZMHSA-N 0 1 503.418 4.693 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC)C2=O)cc1OC ZINC000409126572 1066899804 /nfs/dbraw/zinc/89/98/04/1066899804.db2.gz CTBOQGSRGJQUEF-GZTJUZNOSA-N 0 1 507.370 4.852 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409127085 1066899362 /nfs/dbraw/zinc/89/93/62/1066899362.db2.gz CFVIDLVFJUZJKD-FYJGNVAPSA-N 0 1 615.060 4.576 40 10 KJCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000409127117 1066899279 /nfs/dbraw/zinc/89/92/79/1066899279.db2.gz GXCKUPSRANVWCB-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)c(Br)c1O ZINC000409128834 1066909615 /nfs/dbraw/zinc/90/96/15/1066909615.db2.gz IYZWNVHIWRQRPK-MDWZMJQESA-N 0 1 554.260 4.764 40 10 KJCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409128903 1066909778 /nfs/dbraw/zinc/90/97/78/1066909778.db2.gz HBYNRCPMZJUSQX-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 ZINC000409128961 1066909699 /nfs/dbraw/zinc/90/96/99/1066909699.db2.gz JKZWWLUAWXCFEL-LPYMAVHISA-N 0 1 501.608 4.637 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1C ZINC000409129210 1066326914 /nfs/dbraw/zinc/32/69/14/1066326914.db2.gz REQBVRPRWJDPLI-HYARGMPZSA-N 0 1 501.608 4.637 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1OC ZINC000409129282 1066204985 /nfs/dbraw/zinc/20/49/85/1066204985.db2.gz JFMQMHICPJOUTK-MHWRWJLKSA-N 0 1 582.245 4.680 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409129458 1066908920 /nfs/dbraw/zinc/90/89/20/1066908920.db2.gz JSEPHUPZBXSARS-HYARGMPZSA-N 0 1 629.087 4.966 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCC ZINC000409130043 1066326832 /nfs/dbraw/zinc/32/68/32/1066326832.db2.gz VUYIHXOHVZSWNN-MHWRWJLKSA-N 0 1 550.418 4.537 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1OC ZINC000409131148 1066908119 /nfs/dbraw/zinc/90/81/19/1066908119.db2.gz JYBXJAJFADQTFS-WOJGMQOQSA-N 0 1 561.429 4.706 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409131748 1066907774 /nfs/dbraw/zinc/90/77/74/1066907774.db2.gz XWKCTZKJEDQYAW-CJLVFECKSA-N 0 1 629.485 4.676 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409131752 1066907800 /nfs/dbraw/zinc/90/78/00/1066907800.db2.gz WTOMGIPDAIPVFC-XQNSMLJCSA-N 0 1 545.548 4.633 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409131767 1066907370 /nfs/dbraw/zinc/90/73/70/1066907370.db2.gz YVHBSKFATXWUPU-HZHRSRAPSA-N 0 1 530.577 4.734 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(OC)c3)C2=O)cc1OC ZINC000409131923 1066907286 /nfs/dbraw/zinc/90/72/86/1066907286.db2.gz ZDLMOSQBOKKANL-WOJGMQOQSA-N 0 1 561.429 4.706 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409133152 1066906549 /nfs/dbraw/zinc/90/65/49/1066906549.db2.gz OYBJRWNRURQDEZ-XDHOZWIPSA-N 0 1 531.005 4.987 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCC ZINC000409133616 1066906176 /nfs/dbraw/zinc/90/61/76/1066906176.db2.gz NKIRLSXGTMQTLZ-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OCC)c3)C2=O)cc1OC ZINC000409133751 1066906063 /nfs/dbraw/zinc/90/60/63/1066906063.db2.gz RHZCXLTUGIQTSD-WOJGMQOQSA-N 0 1 608.429 4.548 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1OC ZINC000409133967 1066205008 /nfs/dbraw/zinc/20/50/08/1066205008.db2.gz VDTBCUUAPLFSNE-IWIPYMOSSA-N 0 1 545.548 4.633 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1OC ZINC000409133972 1066327210 /nfs/dbraw/zinc/32/72/10/1066327210.db2.gz RFKMXAXGLCGESX-IWIPYMOSSA-N 0 1 518.541 4.864 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409134041 1066205062 /nfs/dbraw/zinc/20/50/62/1066205062.db2.gz ONCJQPGEMPQMLR-XQNSMLJCSA-N 0 1 518.541 4.864 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409134389 1066905617 /nfs/dbraw/zinc/90/56/17/1066905617.db2.gz OCCNWGWQPPVOOW-OEAKJJBVSA-N 0 1 575.574 4.642 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409135047 1066904762 /nfs/dbraw/zinc/90/47/62/1066904762.db2.gz PJRLBTIFUYLKIM-FYJGNVAPSA-N 0 1 706.511 4.527 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1OC ZINC000409135099 1066904788 /nfs/dbraw/zinc/90/47/88/1066904788.db2.gz UIPTWRJUWJPLGV-HAVVHWLPSA-N 0 1 500.551 4.725 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC ZINC000409135166 1066904703 /nfs/dbraw/zinc/90/47/03/1066904703.db2.gz VHBNCVRDOJCHMH-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409135350 1066327176 /nfs/dbraw/zinc/32/71/76/1066327176.db2.gz UNEPVDUHFMUFBS-LFVJCYFKSA-N 0 1 608.669 4.621 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1OC ZINC000409135443 1066904391 /nfs/dbraw/zinc/90/43/91/1066904391.db2.gz QWYGFRHLNDBQCI-CJLVFECKSA-N 0 1 518.541 4.864 40 10 KJCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c1C ZINC000409135444 1066904452 /nfs/dbraw/zinc/90/44/52/1066904452.db2.gz QWZZFOWAKLTHLH-CPNJWEJPSA-N 0 1 527.387 4.530 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1OC ZINC000409136031 1066904047 /nfs/dbraw/zinc/90/40/47/1066904047.db2.gz XNKPJFQXKRRGAL-OVCLIPMQSA-N 0 1 582.245 4.680 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409136161 1066903926 /nfs/dbraw/zinc/90/39/26/1066903926.db2.gz TWJBXBPIHMCZCS-LPYMAVHISA-N 0 1 629.087 4.884 40 10 KJCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409136469 1066903490 /nfs/dbraw/zinc/90/34/90/1066903490.db2.gz USZACDPEGPDGLV-OEAKJJBVSA-N 0 1 526.593 4.867 40 10 KJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 ZINC000409136699 1066903560 /nfs/dbraw/zinc/90/35/60/1066903560.db2.gz UKPMKIJZDRZSIE-LPYMAVHISA-N 0 1 501.608 4.637 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409137068 1066903245 /nfs/dbraw/zinc/90/32/45/1066903245.db2.gz TVCPHFRBINRCCH-HYARGMPZSA-N 0 1 615.060 4.576 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409137555 1066327648 /nfs/dbraw/zinc/32/76/48/1066327648.db2.gz VVWZVFCJKBCXEH-KGENOOAVSA-N 0 1 629.485 4.676 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409138570 1066915997 /nfs/dbraw/zinc/91/59/97/1066915997.db2.gz DVARGZPSSVYWBS-XDHOZWIPSA-N 0 1 622.456 4.938 40 10 KJCBMN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Br ZINC000409138582 1066916105 /nfs/dbraw/zinc/91/61/05/1066916105.db2.gz DZQSVAMLWCYGEE-LDADJPATSA-N 0 1 531.403 4.697 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409140156 1066914952 /nfs/dbraw/zinc/91/49/52/1066914952.db2.gz FGFWHFWIAQCWCV-HYARGMPZSA-N 0 1 548.567 4.873 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1OC ZINC000409140245 1066914910 /nfs/dbraw/zinc/91/49/10/1066914910.db2.gz QGDOAPLDFCUWEZ-BUVRLJJBSA-N 0 1 518.541 4.864 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409140975 1066914123 /nfs/dbraw/zinc/91/41/23/1066914123.db2.gz GCCFVFBSGWKHKK-HYARGMPZSA-N 0 1 643.512 4.985 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OCC ZINC000409141134 1066914142 /nfs/dbraw/zinc/91/41/42/1066914142.db2.gz GZQQLTJWKQVHKY-MHWRWJLKSA-N 0 1 550.418 4.537 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C ZINC000409141719 1066913533 /nfs/dbraw/zinc/91/35/33/1066913533.db2.gz JURXJLPHARGXFL-CXUHLZMHSA-N 0 1 550.418 4.535 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC(C)C ZINC000409142231 1066913309 /nfs/dbraw/zinc/91/33/09/1066913309.db2.gz WZBBVZDLTZYOQV-LICLKQGHSA-N 0 1 564.445 4.925 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1OC ZINC000409142368 1066205554 /nfs/dbraw/zinc/20/55/54/1066205554.db2.gz JYSOCEIUXHYTMW-CXUHLZMHSA-N 0 1 507.370 4.852 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409143082 1066912579 /nfs/dbraw/zinc/91/25/79/1066912579.db2.gz YWWQQDSDYPWQOD-LFVJCYFKSA-N 0 1 500.551 4.725 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OC ZINC000409143251 1066912053 /nfs/dbraw/zinc/91/20/53/1066912053.db2.gz MEDALHCZRQEREF-BUVRLJJBSA-N 0 1 518.541 4.864 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC(C)C ZINC000409144751 1066910860 /nfs/dbraw/zinc/91/08/60/1066910860.db2.gz GJKXNGRVJNVOBP-CXUHLZMHSA-N 0 1 550.418 4.535 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409144982 1066919171 /nfs/dbraw/zinc/91/91/71/1066919171.db2.gz HJDMSZABPYNGIF-IWIPYMOSSA-N 0 1 518.541 4.864 40 10 KJCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1C ZINC000409145266 1066919196 /nfs/dbraw/zinc/91/91/96/1066919196.db2.gz PWYQIRIPTRVJNH-HYARGMPZSA-N 0 1 501.608 4.637 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409145443 1066918751 /nfs/dbraw/zinc/91/87/51/1066918751.db2.gz IGQYOELJWRQSMR-KGENOOAVSA-N 0 1 585.034 4.567 40 10 KJCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c(C)c1 ZINC000409145717 1066918358 /nfs/dbraw/zinc/91/83/58/1066918358.db2.gz QUGXNPPHUZLMSZ-HYARGMPZSA-N 0 1 501.608 4.637 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409146459 1066917908 /nfs/dbraw/zinc/91/79/08/1066917908.db2.gz SUOUXLIOFWGZLY-CJLVFECKSA-N 0 1 585.034 4.567 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409146923 1066329873 /nfs/dbraw/zinc/32/98/73/1066329873.db2.gz UIITZLSQKULSMQ-HYARGMPZSA-N 0 1 720.538 4.917 40 10 KJCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000409146924 1066917560 /nfs/dbraw/zinc/91/75/60/1066917560.db2.gz TYNRUHVYMAFDDX-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409146963 1066917208 /nfs/dbraw/zinc/91/72/08/1066917208.db2.gz LXJVZUJXXVJXSE-LPYMAVHISA-N 0 1 673.538 4.993 40 10 KJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C ZINC000409146977 1066917194 /nfs/dbraw/zinc/91/71/94/1066917194.db2.gz USTGZSXGXODKDT-CXUHLZMHSA-N 0 1 503.418 4.693 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409147069 1066917619 /nfs/dbraw/zinc/91/76/19/1066917619.db2.gz WCUQZILMZUXZEB-LFVJCYFKSA-N 0 1 527.581 4.655 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409147933 1066928011 /nfs/dbraw/zinc/92/80/11/1066928011.db2.gz WTWLUFXRQBKCFJ-OEAKJJBVSA-N 0 1 548.567 4.873 40 10 KJCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000409148466 1066927057 /nfs/dbraw/zinc/92/70/57/1066927057.db2.gz YVXGUDILVMPPAW-MHWRWJLKSA-N 0 1 503.418 4.695 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409148858 1066926682 /nfs/dbraw/zinc/92/66/82/1066926682.db2.gz SVEKEZDIUVOSSA-HYARGMPZSA-N 0 1 599.061 4.876 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409149238 1066926645 /nfs/dbraw/zinc/92/66/45/1066926645.db2.gz ZNYNIYYMESGDQI-LPYMAVHISA-N 0 1 720.538 4.835 40 10 KJCBMN COc1ccccc1OCCCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409149660 1066926208 /nfs/dbraw/zinc/92/62/08/1066926208.db2.gz MNVDJOILKUQDFR-HKOYGPOVSA-N 0 1 509.562 4.781 40 10 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CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409188748 1066956536 /nfs/dbraw/zinc/95/65/36/1066956536.db2.gz ADFWGRSOASFMQK-RCCKNPSSSA-N 0 1 510.587 4.724 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409189438 1066955983 /nfs/dbraw/zinc/95/59/83/1066955983.db2.gz LHJHNAVPFYDKHW-HYARGMPZSA-N 0 1 629.087 4.966 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000409190421 1066955555 /nfs/dbraw/zinc/95/55/55/1066955555.db2.gz MWKVWROAHQPZKJ-XDHOZWIPSA-N 0 1 531.005 4.987 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1OCC ZINC000409190735 1066955215 /nfs/dbraw/zinc/95/52/15/1066955215.db2.gz QHJYKXXUHBDGTP-JLPGSUDCSA-N 0 1 599.061 4.957 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C2=O)cc1OCC ZINC000409190829 1066955194 /nfs/dbraw/zinc/95/51/94/1066955194.db2.gz REEZDDAQTFFXMI-GZTJUZNOSA-N 0 1 507.370 4.852 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)C2=O)cc1OCC ZINC000409190923 1066954832 /nfs/dbraw/zinc/95/48/32/1066954832.db2.gz BMBFOBUBIPALIR-LDADJPATSA-N 0 1 531.403 4.697 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1OCC ZINC000409191458 1066334913 /nfs/dbraw/zinc/33/49/13/1066334913.db2.gz HZGOMSVDAWWXGY-UQQQWYQISA-N 0 1 578.643 4.612 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191613 1066954344 /nfs/dbraw/zinc/95/43/44/1066954344.db2.gz JFBGZUDZUKIJCS-XDHOZWIPSA-N 0 1 531.005 4.987 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C2=O)cc1OCC ZINC000409192159 1066953951 /nfs/dbraw/zinc/95/39/51/1066953951.db2.gz AYPKMUKAHCXFLG-WOJGMQOQSA-N 0 1 608.429 4.548 40 10 KJCBMN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409192312 1066335618 /nfs/dbraw/zinc/33/56/18/1066335618.db2.gz CFZLVYVKGOJJKA-HMMYKYKNSA-N 0 1 500.979 4.978 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1OCC ZINC000409192691 1066953525 /nfs/dbraw/zinc/95/35/25/1066953525.db2.gz FHGAVQCECFCFQL-WOJGMQOQSA-N 0 1 516.978 4.597 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409193183 1066953203 /nfs/dbraw/zinc/95/32/03/1066953203.db2.gz DSJOKZNPVMSNAJ-JJIBRWJFSA-N 0 1 608.669 4.703 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409193373 1066953165 /nfs/dbraw/zinc/95/31/65/1066953165.db2.gz JSIDOJLAYGMQLA-LFVJCYFKSA-N 0 1 608.669 4.621 40 10 KJCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409194436 1066952268 /nfs/dbraw/zinc/95/22/68/1066952268.db2.gz BVENMJMEIMBENG-RGVLZGJSSA-N 0 1 527.605 4.790 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC)C2=O)cc1OCC ZINC000409194636 1066952292 /nfs/dbraw/zinc/95/22/92/1066952292.db2.gz QAAWQFNXSYBAFA-XMHGGMMESA-N 0 1 531.403 4.697 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1OCC ZINC000409195001 1066951873 /nfs/dbraw/zinc/95/18/73/1066951873.db2.gz RZSPROBAVPKVFE-WOJGMQOQSA-N 0 1 561.429 4.706 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409195115 1066951898 /nfs/dbraw/zinc/95/18/98/1066951898.db2.gz TYBQQWVIRYVNES-HZHRSRAPSA-N 0 1 629.087 4.966 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1OCC ZINC000409195169 1066951410 /nfs/dbraw/zinc/95/14/10/1066951410.db2.gz RVZRFGUOOKHGKM-WOJGMQOQSA-N 0 1 561.429 4.706 40 10 KJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)C(=O)NC2=S)cc1 ZINC000409195569 1066951117 /nfs/dbraw/zinc/95/11/17/1066951117.db2.gz QZIMRAVKEVKUTJ-FYJGNVAPSA-N 0 1 537.663 4.789 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1OCC ZINC000409195750 1066950926 /nfs/dbraw/zinc/95/09/26/1066950926.db2.gz VSXHSMOHUJTXSF-WOJGMQOQSA-N 0 1 516.978 4.597 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409196040 1066950549 /nfs/dbraw/zinc/95/05/49/1066950549.db2.gz SJGZTBPCPPRVNZ-HYARGMPZSA-N 0 1 720.538 4.917 40 10 KJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000409196162 1066950453 /nfs/dbraw/zinc/95/04/53/1066950453.db2.gz ZFJSWCTZSYDVSA-XDHOZWIPSA-N 0 1 622.456 4.938 40 10 KJCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000409197446 1066963928 /nfs/dbraw/zinc/96/39/28/1066963928.db2.gz FMXNNINWQZVRIB-UDWIEESQSA-N 0 1 507.637 4.699 40 10 KJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12 ZINC000409198255 1066336529 /nfs/dbraw/zinc/33/65/29/1066336529.db2.gz AYWIOQANYHYPSG-HMAPJEAMSA-N 0 1 522.399 4.887 40 10 KJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12 ZINC000409198619 1066963211 /nfs/dbraw/zinc/96/32/11/1066963211.db2.gz IRUMCQRQEOWIEE-JAIQZWGSSA-N 0 1 510.363 4.996 40 10 KJCBMN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S ZINC000409199565 1066962345 /nfs/dbraw/zinc/96/23/45/1066962345.db2.gz PBWRHRVMXVIRSV-NTUHNPAUSA-N 0 1 582.226 4.557 40 10 KJCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c1C)CCCC2 ZINC000409200151 1066962050 /nfs/dbraw/zinc/96/20/50/1066962050.db2.gz QPXSVCMPGPFUQW-ZHZULCJRSA-N 0 1 509.628 4.616 40 10 KJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000409202418 1066960855 /nfs/dbraw/zinc/96/08/55/1066960855.db2.gz RXNNDZSMSWVWIO-HMAPJEAMSA-N 0 1 505.575 4.761 40 10 KJCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000409204348 1066959703 /nfs/dbraw/zinc/95/97/03/1066959703.db2.gz GCRISUPTTBHXMF-YBFXNURJSA-N 0 1 511.600 4.529 40 10 KJCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c1C ZINC000409204912 1066959218 /nfs/dbraw/zinc/95/92/18/1066959218.db2.gz LWSIYBJCXRQFAV-YBFXNURJSA-N 0 1 526.014 4.874 40 10 KJCBMN 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KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC ZINC000409247180 1066978203 /nfs/dbraw/zinc/97/82/03/1066978203.db2.gz CIBPMWICTIDIRU-LICLKQGHSA-N 0 1 503.418 4.811 40 10 KJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000409247536 1066986860 /nfs/dbraw/zinc/98/68/60/1066986860.db2.gz ICZFPHGTHWYYAM-VXLYETTFSA-N 0 1 524.986 4.804 40 10 KJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c1 ZINC000409247561 1066341233 /nfs/dbraw/zinc/34/12/33/1066341233.db2.gz DHTIYSDCOSKWAM-CPNJWEJPSA-N 0 1 527.387 4.530 40 10 KJCBMN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000409247704 1066986764 /nfs/dbraw/zinc/98/67/64/1066986764.db2.gz ASSYYUQDCKXLTA-STZFKDTASA-N 0 1 520.010 4.806 40 10 KJCBMN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C ZINC000409247858 1066986969 /nfs/dbraw/zinc/98/69/69/1066986969.db2.gz DBQPIGRKJPTGJY-HMAPJEAMSA-N 0 1 564.461 4.915 40 10 KJCBMN 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Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409251933 1066992588 /nfs/dbraw/zinc/99/25/88/1066992588.db2.gz AMTNLPHAGYOYNT-MOSHPQCFSA-N 0 1 550.434 4.606 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1OC(C)C ZINC000409251939 1066992554 /nfs/dbraw/zinc/99/25/54/1066992554.db2.gz RGPKQFXJQTYGTJ-NTEUORMPSA-N 0 1 570.836 4.962 40 10 KJCBMN O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409252284 1066992785 /nfs/dbraw/zinc/99/27/85/1066992785.db2.gz RNXRHFQWAJPBRJ-WQRHYEAKSA-N 0 1 526.401 4.842 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252969 1066992270 /nfs/dbraw/zinc/99/22/70/1066992270.db2.gz AEJHUBYVGRDLSX-BKUYFWCQSA-N 0 1 550.036 4.896 40 10 KJCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1 ZINC000409252978 1066343043 /nfs/dbraw/zinc/34/30/43/1066343043.db2.gz UONBPITVECQAMJ-HZHRSRAPSA-N 0 1 501.608 4.719 40 10 KJCBMN 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CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409377135 1067085437 /nfs/dbraw/zinc/08/54/37/1067085437.db2.gz DZAPCCYRDXIACR-FYJGNVAPSA-N 0 1 641.487 4.711 40 10 KJCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409377207 1067084566 /nfs/dbraw/zinc/08/45/66/1067084566.db2.gz FQMRGRNFEJAWRY-GZTJUZNOSA-N 0 1 544.391 4.981 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409377254 1067084805 /nfs/dbraw/zinc/08/48/05/1067084805.db2.gz HAAIQUCDVGWJEQ-PCLIKHOPSA-N 0 1 522.630 4.982 40 10 KJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409377307 1067084734 /nfs/dbraw/zinc/08/47/34/1067084734.db2.gz FZCSOZGBUDRNQG-XDHOZWIPSA-N 0 1 538.000 4.945 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409377462 1066365430 /nfs/dbraw/zinc/36/54/30/1066365430.db2.gz IIVAQJSHPQSIAB-HZHRSRAPSA-N 0 1 531.590 4.966 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409377557 1067092837 /nfs/dbraw/zinc/09/28/37/1067092837.db2.gz IKIJUFVXBKODBH-KGENOOAVSA-N 0 1 520.010 4.751 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409377571 1066365358 /nfs/dbraw/zinc/36/53/58/1066365358.db2.gz IZMNRNUEVKALOR-FYJGNVAPSA-N 0 1 594.487 4.869 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC(C)C ZINC000409377890 1066365565 /nfs/dbraw/zinc/36/55/65/1066365565.db2.gz LZIWSMWBWWSFAW-WOJGMQOQSA-N 0 1 564.445 4.871 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378273 1067091967 /nfs/dbraw/zinc/09/19/67/1067091967.db2.gz OKQPKZIGRSKEFL-HYARGMPZSA-N 0 1 517.563 4.576 40 10 KJCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2)cc1C ZINC000409379163 1066365732 /nfs/dbraw/zinc/36/57/32/1066365732.db2.gz VFRYIAROBCLVHF-YDZHTSKRSA-N 0 1 564.461 4.915 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409379848 1067104409 /nfs/dbraw/zinc/10/44/09/1067104409.db2.gz ACIQPFBDIYNMOE-FYJGNVAPSA-N 0 1 538.000 4.890 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409379861 1067104201 /nfs/dbraw/zinc/10/42/01/1067104201.db2.gz AFACEIQAJKDXIN-BUVRLJJBSA-N 0 1 510.575 4.992 40 10 KJCBMN CCc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C(=O)NC1=S ZINC000409380450 1067102915 /nfs/dbraw/zinc/10/29/15/1067102915.db2.gz DRCBRRDJBQFENS-LFVJCYFKSA-N 0 1 513.619 4.715 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)C(=O)NC2=S)cc1 ZINC000409381117 1067102400 /nfs/dbraw/zinc/10/24/00/1067102400.db2.gz FEDUHFSNIUTOFZ-OEAKJJBVSA-N 0 1 501.608 4.583 40 10 KJCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2)cc1C ZINC000409381161 1067101834 /nfs/dbraw/zinc/10/18/34/1067101834.db2.gz DIPLCDUVKLSCSW-OEAKJJBVSA-N 0 1 564.461 4.915 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409381758 1067100006 /nfs/dbraw/zinc/10/00/06/1067100006.db2.gz WANIGSJXTMFVBU-FYJGNVAPSA-N 0 1 582.451 4.999 40 10 KJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)c1C ZINC000409381763 1067100095 /nfs/dbraw/zinc/10/00/95/1067100095.db2.gz JKKLMRWMSVEALJ-LDADJPATSA-N 0 1 538.000 4.945 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409381893 1067099600 /nfs/dbraw/zinc/09/96/00/1067099600.db2.gz KJGXABFSGXNCSH-UYRXBGFRSA-N 0 1 610.486 4.705 40 10 KJCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409382157 1067099486 /nfs/dbraw/zinc/09/94/86/1067099486.db2.gz PKZYORBPVQVVFF-LICLKQGHSA-N 0 1 544.391 4.981 40 10 KJCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1C ZINC000409382303 1067098963 /nfs/dbraw/zinc/09/89/63/1067098963.db2.gz ZPMJMFYPJHEOQV-OEAKJJBVSA-N 0 1 520.010 4.806 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)NC2=S)cc1 ZINC000409382369 1067098722 /nfs/dbraw/zinc/09/87/22/1067098722.db2.gz KTALARJTQTXAAD-FYJGNVAPSA-N 0 1 517.563 4.576 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O ZINC000409382523 1067098883 /nfs/dbraw/zinc/09/88/83/1067098883.db2.gz OIQCOXQXUITOJZ-NTEUORMPSA-N 0 1 554.260 4.710 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409382540 1067098993 /nfs/dbraw/zinc/09/89/93/1067098993.db2.gz OQRRUEZDKFANDB-BUVRLJJBSA-N 0 1 526.593 4.813 40 10 KJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)NC1=S ZINC000409382767 1067099137 /nfs/dbraw/zinc/09/91/37/1067099137.db2.gz ORQLJTUAYIWRKQ-SFQUDFHCSA-N 0 1 523.973 4.636 40 10 KJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)c1 ZINC000409382937 1067098483 /nfs/dbraw/zinc/09/84/83/1067098483.db2.gz YPHFNRFDCXCQFO-MFKUBSTISA-N 0 1 529.618 4.551 40 10 KJCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000409382946 1066365082 /nfs/dbraw/zinc/36/50/82/1066365082.db2.gz PFCPSINMDCHUSG-GZTJUZNOSA-N 0 1 503.418 4.640 40 10 KJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)c1 ZINC000409383015 1067098565 /nfs/dbraw/zinc/09/85/65/1067098565.db2.gz SUSXDVKYIMMKJK-MFKUBSTISA-N 0 1 513.619 4.769 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409383120 1067098538 /nfs/dbraw/zinc/09/85/38/1067098538.db2.gz UPYDMZUFLKGQBK-PDGQHHTCSA-N 0 1 598.450 4.836 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383140 1067098433 /nfs/dbraw/zinc/09/84/33/1067098433.db2.gz ZPNPMLQOZXNGCD-CIAFOILYSA-N 0 1 568.026 4.899 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(O[C@@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383156 1067098296 /nfs/dbraw/zinc/09/82/96/1067098296.db2.gz UXEZQRKMLFDZMW-BGARDKSCSA-N 0 1 564.445 4.871 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383158 1067098176 /nfs/dbraw/zinc/09/81/76/1067098176.db2.gz UXEZQRKMLFDZMW-XWAFYUISSA-N 0 1 564.445 4.871 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409383180 1067098019 /nfs/dbraw/zinc/09/80/19/1067098019.db2.gz UYVNBSLCUGQSBA-UYRXBGFRSA-N 0 1 566.035 4.596 40 10 KJCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409383304 1067098323 /nfs/dbraw/zinc/09/83/23/1067098323.db2.gz VWKKUDOEPXKOIX-CPNJWEJPSA-N 0 1 553.999 4.727 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383501 1067097269 /nfs/dbraw/zinc/09/72/69/1067097269.db2.gz ZCCNNJGTAPPXHF-HYARGMPZSA-N 0 1 517.563 4.576 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409383550 1067097145 /nfs/dbraw/zinc/09/71/45/1067097145.db2.gz ZUYSRWRTYLUTIV-CPNJWEJPSA-N 0 1 538.000 4.890 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409384140 1067093394 /nfs/dbraw/zinc/09/33/94/1067093394.db2.gz BIIJNRZNZNYLMN-BKUYFWCQSA-N 0 1 566.035 4.596 40 10 KJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409384223 1067097389 /nfs/dbraw/zinc/09/73/89/1067097389.db2.gz CHRZAWVMEWNTKK-HZHRSRAPSA-N 0 1 531.590 4.966 40 10 KJCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000409384228 1067097235 /nfs/dbraw/zinc/09/72/35/1067097235.db2.gz BIMFJWZZCPEVHT-GZTJUZNOSA-N 0 1 503.418 4.640 40 10 KJCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)NC1=S ZINC000409385322 1067096092 /nfs/dbraw/zinc/09/60/92/1067096092.db2.gz HOIPCTJEJGEQDI-QGOAFFKASA-N 0 1 538.000 4.890 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409385722 1067095457 /nfs/dbraw/zinc/09/54/57/1067095457.db2.gz JUHXSNFBEZHSPH-FYJGNVAPSA-N 0 1 550.036 4.760 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409385904 1067095538 /nfs/dbraw/zinc/09/55/38/1067095538.db2.gz LBNRKDPRGRLECT-KGENOOAVSA-N 0 1 564.461 4.860 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409387318 1067112091 /nfs/dbraw/zinc/11/20/91/1067112091.db2.gz PUNTXDLIZVVMCF-FYJGNVAPSA-N 0 1 594.487 4.869 40 10 KJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409387478 1067112007 /nfs/dbraw/zinc/11/20/07/1067112007.db2.gz QVXKVGQVNZFJPR-LDADJPATSA-N 0 1 523.973 4.636 40 10 KJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)C(=O)NC2=S)cc1 ZINC000409388063 1067110769 /nfs/dbraw/zinc/11/07/69/1067110769.db2.gz TWOTXVGPZQLIIF-HZHRSRAPSA-N 0 1 501.608 4.583 40 10 KJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409388255 1067110759 /nfs/dbraw/zinc/11/07/59/1067110759.db2.gz TVWUMNPWEVKXQS-PDGQHHTCSA-N 0 1 553.999 4.727 40 10 KJCBMN 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