smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001314862 194083780 /nfs/dbraw/zinc/08/37/80/194083780.db2.gz QRDNCYKXXSPFRR-OEAKJJBVSA-N 0 1 461.562 6.028 40 10 JKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000004083451 194376376 /nfs/dbraw/zinc/37/63/76/194376376.db2.gz LAVMDAUJILLFCX-CJLVFECKSA-N 0 1 483.499 5.362 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 ZINC000058849368 195384386 /nfs/dbraw/zinc/38/43/86/195384386.db2.gz ZTMVHERXSBXMST-LZCXECNNSA-N 0 1 480.561 5.470 40 10 JKCBMN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849652 195384801 /nfs/dbraw/zinc/38/48/01/195384801.db2.gz LDAPKPPSAJFOQT-LZCXECNNSA-N 0 1 497.016 5.985 40 10 JKCBMN Oc1c(Br)cc(Br)cc1C1N(c2ccccc2)CCCN1c1ccccc1 ZINC000058986258 195386909 /nfs/dbraw/zinc/38/69/09/195386909.db2.gz JVBBULHKKOMTOW-UHFFFAOYSA-N 0 1 488.223 6.333 40 10 JKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000059087165 195387087 /nfs/dbraw/zinc/38/70/87/195387087.db2.gz KYBWQDUWTBSSEN-DEDYPNTBSA-N 0 1 487.918 5.984 40 10 JKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C1=O ZINC000059087292 195387477 /nfs/dbraw/zinc/38/74/77/195387477.db2.gz TWOABFUAIVJDEA-UDWIEESQSA-N 0 1 496.361 5.113 40 10 JKCBMN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1C ZINC000059104858 195388246 /nfs/dbraw/zinc/38/82/46/195388246.db2.gz OTTUDXBDFWTGDB-LPYMAVHISA-N 0 1 478.017 6.290 40 10 JKCBMN Cc1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000059109557 195389251 /nfs/dbraw/zinc/38/92/51/195389251.db2.gz GKJBKJLKDVPGKS-HKOYGPOVSA-N 0 1 485.584 5.418 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000059109560 195389298 /nfs/dbraw/zinc/38/92/98/195389298.db2.gz KLKGRKAEWBZYOO-SFQUDFHCSA-N 0 1 460.361 6.036 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 ZINC000059135883 195390754 /nfs/dbraw/zinc/39/07/54/195390754.db2.gz HIASWMRWUBYVMM-XSFVSMFZSA-N 0 1 490.556 5.783 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 ZINC000059135913 195390761 /nfs/dbraw/zinc/39/07/61/195390761.db2.gz AXBXGYWTIKLEPY-QGOAFFKASA-N 0 1 450.466 5.215 40 10 JKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 ZINC000059136084 195390974 /nfs/dbraw/zinc/39/09/74/195390974.db2.gz GGFKRDOCFVXXLS-CPNJWEJPSA-N 0 1 476.529 5.393 40 10 JKCBMN CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059136038 195391208 /nfs/dbraw/zinc/39/12/08/195391208.db2.gz XZPIWVSUOWZZJL-YRNVUSSQSA-N 0 1 483.746 5.312 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059136199 195391293 /nfs/dbraw/zinc/39/12/93/195391293.db2.gz OTDIYWCZCRICFX-SFQUDFHCSA-N 0 1 467.953 5.867 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000059136212 195391334 /nfs/dbraw/zinc/39/13/34/195391334.db2.gz ZFIFIJLHPYYQEA-MHWRWJLKSA-N 0 1 488.371 6.212 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 ZINC000059136273 195391415 /nfs/dbraw/zinc/39/14/15/195391415.db2.gz JYNSDZVOFLXQNP-RVDMUPIBSA-N 0 1 471.307 5.520 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000059136416 195391738 /nfs/dbraw/zinc/39/17/38/195391738.db2.gz HZHGBGPCIDQLSW-QGOAFFKASA-N 0 1 466.921 5.730 40 10 JKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000059137955 195391947 /nfs/dbraw/zinc/39/19/47/195391947.db2.gz BNIDHMQBQURZTC-LDADJPATSA-N 0 1 499.411 6.173 40 10 JKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000059137825 195392126 /nfs/dbraw/zinc/39/21/26/195392126.db2.gz USQABRYUSPVEGC-LDADJPATSA-N 0 1 454.960 6.064 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 ZINC000059198496 195394742 /nfs/dbraw/zinc/39/47/42/195394742.db2.gz HTNQNHJQDSLUQR-KPKJPENVSA-N 0 1 456.148 5.428 40 10 JKCBMN Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000033692556 525416366 /nfs/dbraw/zinc/41/63/66/525416366.db2.gz KFMUHZREBIVZQK-LFVJCYFKSA-N 0 1 497.551 5.823 40 10 JKCBMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O ZINC000041108829 526090780 /nfs/dbraw/zinc/09/07/80/526090780.db2.gz GMHAEMJNAKAGIL-ODHYRZOZSA-N 0 1 462.509 5.603 40 10 JKCBMN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000005317891 554488267 /nfs/dbraw/zinc/48/82/67/554488267.db2.gz JXQJYEHDXZEKRY-GEFUHLBYSA-N 0 1 499.655 6.324 40 10 JKCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O ZINC000005947713 554497916 /nfs/dbraw/zinc/49/79/16/554497916.db2.gz IUEJHBHRHVFKED-HZHRSRAPSA-N 0 1 459.502 5.217 40 10 JKCBMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc31)C2 ZINC000009075585 554886610 /nfs/dbraw/zinc/88/66/10/554886610.db2.gz MQBBLWBTWOWGTA-QZXCRCNTSA-N 0 1 475.614 5.758 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000009263210 555037941 /nfs/dbraw/zinc/03/79/41/555037941.db2.gz ULATWXLFKOVZCY-UNOMPAQXSA-N 0 1 467.953 5.026 40 10 JKCBMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1c1ccccc1 ZINC000013476501 555402900 /nfs/dbraw/zinc/40/29/00/555402900.db2.gz NIFBHCRQGXSBEC-NTUHNPAUSA-N 0 1 471.195 5.323 40 10 JKCBMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1 ZINC000013671157 555562443 /nfs/dbraw/zinc/56/24/43/555562443.db2.gz CROVAQLDUDEOOT-UHFFFAOYSA-N 0 1 498.048 5.370 40 10 JKCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c(C)c1 ZINC000010112173 555625037 /nfs/dbraw/zinc/62/50/37/555625037.db2.gz ATLVFRRHTXLYMX-UHFFFAOYSA-N 0 1 498.048 5.288 40 10 JKCBMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 ZINC000020287616 555756098 /nfs/dbraw/zinc/75/60/98/555756098.db2.gz OMISTZGGHSQTRY-UQQQWYQISA-N 0 1 482.565 5.615 40 10 JKCBMN CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000016956729 556187555 /nfs/dbraw/zinc/18/75/55/556187555.db2.gz DQLLSIPMAIOTED-HZHRSRAPSA-N 0 1 474.582 5.926 40 10 JKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000017086230 556216369 /nfs/dbraw/zinc/21/63/69/556216369.db2.gz TZJJUQNEEKXQKR-NDENLUEZSA-N 0 1 483.351 5.433 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000059109545 569602387 /nfs/dbraw/zinc/60/23/87/569602387.db2.gz ONGSWDBMFVGZAJ-HAVVHWLPSA-N 0 1 457.530 5.355 40 10 JKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000033533108 569627425 /nfs/dbraw/zinc/62/74/25/569627425.db2.gz ORLKTASITPQNSN-MOSHPQCFSA-N 0 1 483.749 5.143 40 10 JKCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000033720886 569632068 /nfs/dbraw/zinc/63/20/68/569632068.db2.gz HVTQIRJIOOIEPM-UQQQWYQISA-N 0 1 468.553 5.163 40 10 JKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000033766603 569634044 /nfs/dbraw/zinc/63/40/44/569634044.db2.gz ZFVZDJDUBPRIPW-ZDLGFXPLSA-N 0 1 499.350 5.051 40 10 JKCBMN Cc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000033935803 569638035 /nfs/dbraw/zinc/63/80/35/569638035.db2.gz MREKUPYVDVYYRL-BUVRLJJBSA-N 0 1 483.524 5.432 40 10 JKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000034828291 569662864 /nfs/dbraw/zinc/66/28/64/569662864.db2.gz QZTRHDXWGVBAIK-KQWNVCNZSA-N 0 1 454.913 5.534 40 10 JKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000035109031 569675194 /nfs/dbraw/zinc/67/51/94/569675194.db2.gz MIDHINXNIOFXSV-GRSHGNNSSA-N 0 1 499.350 5.051 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000083309645 569708495 /nfs/dbraw/zinc/70/84/95/569708495.db2.gz QNALCVVHZSFVCD-MHWRWJLKSA-N 0 1 458.301 5.496 40 10 JKCBMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nc(-c2ccccc2)cs1 ZINC000103250307 569834074 /nfs/dbraw/zinc/83/40/74/569834074.db2.gz PBHMFBJLPHZMMZ-GZTJUZNOSA-N 0 1 486.338 5.133 40 10 JKCBMN CC(Nc1ccc(Cl)c(Cl)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920982 569839220 /nfs/dbraw/zinc/83/92/20/569839220.db2.gz QSLNGZHSCKKKIU-STZFKDTASA-N 0 1 479.392 6.740 40 10 JKCBMN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208194487 569874921 /nfs/dbraw/zinc/87/49/21/569874921.db2.gz MQUUYMKDLAMPCT-HIPSJFSSSA-N 0 1 498.446 5.002 40 10 JKCBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 ZINC000208239162 569875112 /nfs/dbraw/zinc/87/51/12/569875112.db2.gz JYCVDUSGENYMJM-SGPNVBEDSA-N 0 1 488.440 5.547 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c(C)c1 ZINC000208235471 569875135 /nfs/dbraw/zinc/87/51/35/569875135.db2.gz KMZRTIUIUYYZCA-LANLRWRYSA-N 0 1 461.631 5.165 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S ZINC000208239971 569875163 /nfs/dbraw/zinc/87/51/63/569875163.db2.gz JGWAMGLNTQHXIK-UZUMKDMXSA-N 0 1 482.049 5.456 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000208236632 569875167 /nfs/dbraw/zinc/87/51/67/569875167.db2.gz IVGJNCPGCHUCRV-NIZGNDASSA-N 0 1 461.631 5.111 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1 ZINC000208306304 569875291 /nfs/dbraw/zinc/87/52/91/569875291.db2.gz MPUGGTUZEAMPBK-HRKXOBMBSA-N 0 1 477.630 5.029 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C(=O)NC1=S ZINC000208307994 569875318 /nfs/dbraw/zinc/87/53/18/569875318.db2.gz KDRTVHIJQAHXGU-WNSCPLKPSA-N 0 1 461.631 5.192 40 10 JKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208312230 569875367 /nfs/dbraw/zinc/87/53/67/569875367.db2.gz NRFWQDWCWUWKLY-OOWUWCJESA-N 0 1 468.022 5.283 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1 ZINC000208308120 569875375 /nfs/dbraw/zinc/87/53/75/569875375.db2.gz QGCQDQCXNZVVDU-HINJULBWSA-N 0 1 461.631 5.192 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)C(C)=CC(C)(C)N2C ZINC000208452508 569875467 /nfs/dbraw/zinc/87/54/67/569875467.db2.gz BPSSHXPOBKFSTP-RGVLZGJSSA-N 0 1 466.006 5.111 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1C ZINC000208469612 569875556 /nfs/dbraw/zinc/87/55/56/569875556.db2.gz URFIBJCNHNEAHS-RGVLZGJSSA-N 0 1 480.033 5.420 40 10 JKCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000208475148 569875613 /nfs/dbraw/zinc/87/56/13/569875613.db2.gz YORFSXOADUPGAR-GIJQJNRQSA-N 0 1 486.424 5.456 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)c1 ZINC000208475197 569875624 /nfs/dbraw/zinc/87/56/24/569875624.db2.gz HPAQKBHNOAIHFH-YBFXNURJSA-N 0 1 466.006 5.111 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208524059 569875791 /nfs/dbraw/zinc/87/57/91/569875791.db2.gz AOPDYNABAFCXEW-CIAFOILYSA-N 0 1 480.033 5.502 40 10 JKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000215645286 569877320 /nfs/dbraw/zinc/87/73/20/569877320.db2.gz DERDNRSLARPMCV-UCQKPKSFSA-N 0 1 484.939 5.542 40 10 JKCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000222584147 569886320 /nfs/dbraw/zinc/88/63/20/569886320.db2.gz VCIQHJPAQCCDRZ-UHFFFAOYSA-N 0 1 486.037 5.225 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)NC2=S)c(C)c1 ZINC000223515615 569914225 /nfs/dbraw/zinc/91/42/25/569914225.db2.gz DIGRHUPZSKNHOZ-OEAKJJBVSA-N 0 1 487.669 5.853 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1 ZINC000223551768 569915682 /nfs/dbraw/zinc/91/56/82/569915682.db2.gz MDYKCOPTYFIRLN-OVBDPADQSA-N 0 1 461.631 5.327 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578351 569916712 /nfs/dbraw/zinc/91/67/12/569916712.db2.gz XEGNPFQDWAXXLU-OVBDPADQSA-N 0 1 461.631 5.247 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578492 569916718 /nfs/dbraw/zinc/91/67/18/569916718.db2.gz PBJIKHDDABQGCA-OVBDPADQSA-N 0 1 461.631 5.247 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583231 569916854 /nfs/dbraw/zinc/91/68/54/569916854.db2.gz RCKJUMUHKKTIMS-KWJZBXMYSA-N 0 1 475.658 5.555 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223600207 569917433 /nfs/dbraw/zinc/91/74/33/569917433.db2.gz FONPCMPWJIDZMJ-OVBDPADQSA-N 0 1 461.631 5.327 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223609749 569917797 /nfs/dbraw/zinc/91/77/97/569917797.db2.gz ODIXHQIZSPUVGS-KWJZBXMYSA-N 0 1 475.658 5.635 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223610292 569917856 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ZINC000408536055 570190203 /nfs/dbraw/zinc/19/02/03/570190203.db2.gz VMFCVBBMYYCRLG-BOPFTXTBSA-N 0 1 453.365 5.600 40 10 JKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000408550812 570195144 /nfs/dbraw/zinc/19/51/44/570195144.db2.gz KBWFWPHTFIZYCZ-AQTBWJFISA-N 0 1 467.909 5.015 40 10 JKCBMN Cc1ccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1 ZINC000408551998 570195397 /nfs/dbraw/zinc/19/53/97/570195397.db2.gz QVKQSLCZCBIJEB-UYRXBGFRSA-N 0 1 481.936 5.324 40 10 JKCBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1cccs1 ZINC000409327775 570202605 /nfs/dbraw/zinc/20/26/05/570202605.db2.gz MSMVCTUOYIYQDJ-MHWRWJLKSA-N 0 1 491.413 5.317 40 10 JKCBMN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S)c1cccs1 ZINC000409328265 570202859 /nfs/dbraw/zinc/20/28/59/570202859.db2.gz QXRCNTOMQRKTBW-XDHOZWIPSA-N 0 1 487.027 5.527 40 10 JKCBMN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849398 195384396 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ZINC000059139118 195392412 /nfs/dbraw/zinc/39/24/12/195392412.db2.gz SFFMZPJKWNWSMQ-ACCUITESSA-N 0 1 464.503 5.118 40 10 JKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059194106 195394349 /nfs/dbraw/zinc/39/43/49/195394349.db2.gz PSUWKJZXUCELDD-UNOMPAQXSA-N 0 1 483.351 5.433 40 10 JKCBMN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CCn4cccc4)cc3)c2c1 ZINC000008628865 525681566 /nfs/dbraw/zinc/68/15/66/525681566.db2.gz PVZTUHTXZVLZBY-SANMLTNESA-N 0 1 457.961 6.719 40 10 JKCBMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C1=O ZINC000041108834 526096510 /nfs/dbraw/zinc/09/65/10/526096510.db2.gz NCJINUUZXABJJI-VKZJTJHYSA-N 0 1 468.538 5.664 40 10 JKCBMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000016544877 526942085 /nfs/dbraw/zinc/94/20/85/526942085.db2.gz TXOCWWCFRKWZNO-HMMYKYKNSA-N 0 1 486.553 5.410 40 10 JKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000033600682 527046896 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/nfs/dbraw/zinc/05/21/75/555052175.db2.gz VNDRKTXYLQGOEN-URORMMCBSA-N 0 1 470.057 5.493 40 10 JKCBMN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1 ZINC000009499960 555284703 /nfs/dbraw/zinc/28/47/03/555284703.db2.gz MKHNEAQWPHFKIP-XJUOHMSHSA-N 0 1 499.350 5.149 40 10 JKCBMN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000013787740 555619788 /nfs/dbraw/zinc/61/97/88/555619788.db2.gz PROHNLRRZLTDRT-FUDKSRODSA-N 0 1 499.350 5.149 40 10 JKCBMN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1 ZINC000013805827 555623344 /nfs/dbraw/zinc/62/33/44/555623344.db2.gz MKHNEAQWPHFKIP-FUDKSRODSA-N 0 1 499.350 5.149 40 10 JKCBMN CC(Nc1cccc(OC(F)(F)F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000020288401 555757715 /nfs/dbraw/zinc/75/77/15/555757715.db2.gz ZKTVMVYYQLZTSP-QNGOZBTKSA-N 0 1 494.498 6.332 40 10 JKCBMN O=C1/C(=C\c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000015011968 555854372 /nfs/dbraw/zinc/85/43/72/555854372.db2.gz KVPJHVNZGACKPY-AWNIVKPZSA-N 0 1 471.741 5.122 40 10 JKCBMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])Cc1c(O)ccc2ccccc21 ZINC000031666701 556401492 /nfs/dbraw/zinc/40/14/92/556401492.db2.gz MDGLBXLWXXWTIJ-UHFFFAOYSA-N 0 1 451.158 5.408 40 10 in-vitro JKCBMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])Cn1c2ccccc2c2ccccc21 ZINC000031666706 556401522 /nfs/dbraw/zinc/40/15/22/556401522.db2.gz VNHHQSIGAHIEJU-UHFFFAOYSA-N 0 1 474.196 6.115 40 10 JKCBMN CC(C)(C)c1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000032109734 556419820 /nfs/dbraw/zinc/41/98/20/556419820.db2.gz KUUXUZUXWCCWCD-RCCKNPSSSA-N 0 1 463.990 6.100 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000059109522 569602362 /nfs/dbraw/zinc/60/23/62/569602362.db2.gz XOQKMDLIRIDVKU-DEDYPNTBSA-N 0 1 496.394 6.631 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000059109547 569602366 /nfs/dbraw/zinc/60/23/66/569602366.db2.gz 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Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408967180 570087900 /nfs/dbraw/zinc/08/79/00/570087900.db2.gz QHOSNGQVASBRLU-GIJQJNRQSA-N 0 1 488.371 5.371 40 10 JKCBMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970900 570088730 /nfs/dbraw/zinc/08/87/30/570088730.db2.gz AILOEZCXDJHNBY-GHXNOFRVSA-N 0 1 490.073 5.266 40 10 JKCBMN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc([NH+](CC)CC)cc4)c3C)C2=O)cc1 ZINC000408983098 570091326 /nfs/dbraw/zinc/09/13/26/570091326.db2.gz KKNCSLXRWLOHSO-ITYLOYPMSA-N 0 1 484.600 5.169 40 10 JKCBMN C=C1N=C(SCC(=O)Nc2ccccc2C(C)C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408992591 570094412 /nfs/dbraw/zinc/09/44/12/570094412.db2.gz UGDNJSXCNKKLTI-VWLOTQADSA-N 0 1 494.661 5.085 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408995084 570095222 /nfs/dbraw/zinc/09/52/22/570095222.db2.gz IPRQSSIFNUZKCY-BUVRLJJBSA-N 0 1 465.578 5.138 40 10 JKCBMN 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ZINC000409100665 570128318 /nfs/dbraw/zinc/12/83/18/570128318.db2.gz RJFCSQAWEWSSCC-XSFVSMFZSA-N 0 1 450.972 5.323 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409102976 570129079 /nfs/dbraw/zinc/12/90/79/570129079.db2.gz WWQCSYVWMPUJED-KGENOOAVSA-N 0 1 478.017 5.450 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409107913 570130969 /nfs/dbraw/zinc/13/09/69/570130969.db2.gz YBZVAABMGAXLFI-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN CCN(C(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1)c1ccccc1 ZINC000257283885 570133798 /nfs/dbraw/zinc/13/37/98/570133798.db2.gz PAHWTXJISCLPPZ-JOCHJYFZSA-N 0 1 470.617 5.294 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409122654 570136494 /nfs/dbraw/zinc/13/64/94/570136494.db2.gz ARCIWXZPFZPVDV-LDADJPATSA-N 0 1 470.472 5.414 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409124423 570137215 /nfs/dbraw/zinc/13/72/15/570137215.db2.gz HOQGUFFESLEDAZ-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409126006 570137933 /nfs/dbraw/zinc/13/79/33/570137933.db2.gz KYHIHONXOWPQPV-VUVCFOEZSA-N 0 1 487.419 5.075 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409126294 570138078 /nfs/dbraw/zinc/13/80/78/570138078.db2.gz BMHDZJFQMQUZIV-HYARGMPZSA-N 0 1 457.599 5.159 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000409132902 570140906 /nfs/dbraw/zinc/14/09/06/570140906.db2.gz KVSLKVLWNCADFW-SWEABUAFSA-N 0 1 487.419 5.075 40 10 JKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409136133 570142337 /nfs/dbraw/zinc/14/23/37/570142337.db2.gz SNOSQELJLVRCTQ-HRKXOBMBSA-N 0 1 458.583 5.465 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409137198 570142876 /nfs/dbraw/zinc/14/28/76/570142876.db2.gz 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40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S ZINC000260567282 570154322 /nfs/dbraw/zinc/15/43/22/570154322.db2.gz KEJWEGZWKJQLBK-AQRZYSDFSA-N 0 1 461.631 5.111 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1C ZINC000260567839 570154343 /nfs/dbraw/zinc/15/43/43/570154343.db2.gz MVTOKZXANLWHBO-SKCQWOFPSA-N 0 1 482.049 5.510 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c(C)c1 ZINC000260573376 570154563 /nfs/dbraw/zinc/15/45/63/570154563.db2.gz YJGAJWAXABNBKQ-YDDPGSGASA-N 0 1 482.049 5.510 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 ZINC000260572531 570154586 /nfs/dbraw/zinc/15/45/86/570154586.db2.gz WSBHSKKRAAILHJ-IERINAHZSA-N 0 1 489.685 5.889 40 10 JKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C(=O)NC1=S ZINC000409175577 570156716 /nfs/dbraw/zinc/15/67/16/570156716.db2.gz ZYLJUCFUFSGUQO-CJLVFECKSA-N 0 1 481.577 5.087 40 10 JKCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCc1ccccc1 ZINC000409221083 570174467 /nfs/dbraw/zinc/17/44/67/570174467.db2.gz KQSLPBFYUIIRDY-UDWIEESQSA-N 0 1 492.984 5.067 40 10 JKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)o2)c(Br)c1 ZINC000409222883 570174972 /nfs/dbraw/zinc/17/49/72/570174972.db2.gz YAWXDHXASMNNLV-LDADJPATSA-N 0 1 481.371 5.157 40 10 JKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409222981 570175124 /nfs/dbraw/zinc/17/51/24/570175124.db2.gz YHQUKUNQRLCTOC-DEDYPNTBSA-N 0 1 475.526 5.118 40 10 JKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409227048 570176199 /nfs/dbraw/zinc/17/61/99/570176199.db2.gz OKCWAUBFFVQSLQ-ZFMLPXDISA-N 0 1 479.001 5.810 40 10 JKCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409228208 570176576 /nfs/dbraw/zinc/17/65/76/570176576.db2.gz VYAYIWAEYJTUCC-WOJGMQOQSA-N 0 1 487.419 5.191 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409229125 570176984 /nfs/dbraw/zinc/17/69/84/570176984.db2.gz KCJGBEZGGKLXPI-YDZHTSKRSA-N 0 1 492.044 6.011 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409229575 570177081 /nfs/dbraw/zinc/17/70/81/570177081.db2.gz RIEOHFUPSMYETQ-DEDYPNTBSA-N 0 1 489.959 5.313 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409230084 570177369 /nfs/dbraw/zinc/17/73/69/570177369.db2.gz BFPQRHNAMVAUOA-CIAFOILYSA-N 0 1 497.542 5.561 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1Cl ZINC000409230423 570177599 /nfs/dbraw/zinc/17/75/99/570177599.db2.gz DACMTICEZJGHSI-GDNBJRDFSA-N 0 1 491.783 6.047 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409231651 570178025 /nfs/dbraw/zinc/17/80/25/570178025.db2.gz DTOWNPHHUSAUGH-KEBDBYFISA-N 0 1 487.478 5.083 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409232946 570178556 /nfs/dbraw/zinc/17/85/56/570178556.db2.gz CMKVPHKELIMNOZ-XDHOZWIPSA-N 0 1 499.444 6.284 40 10 JKCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409234478 570179172 /nfs/dbraw/zinc/17/91/72/570179172.db2.gz KUPLOURJQMVAGA-BUVRLJJBSA-N 0 1 473.598 5.057 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409235650 570179662 /nfs/dbraw/zinc/17/96/62/570179662.db2.gz CQKMROZTDUNWNN-MFKUBSTISA-N 0 1 471.626 5.666 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409236233 570179915 /nfs/dbraw/zinc/17/99/15/570179915.db2.gz FEMSMZDSVAOSHT-HLVNSREUSA-N 0 1 493.810 5.111 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409237532 570180417 /nfs/dbraw/zinc/18/04/17/570180417.db2.gz VCQYXFVOGCVXMW-CIAFOILYSA-N 0 1 478.017 5.504 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c1 ZINC000409238099 570180633 /nfs/dbraw/zinc/18/06/33/570180633.db2.gz CABIGJJUQVGJEF-HYARGMPZSA-N 0 1 483.568 5.277 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1Cl ZINC000409237841 570180654 /nfs/dbraw/zinc/18/06/54/570180654.db2.gz JDFJBHJJNLKNSS-FOWTUZBSSA-N 0 1 470.381 5.232 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409238560 570180918 /nfs/dbraw/zinc/18/09/18/570180918.db2.gz DWDYMXOWGJXQRI-BUVRLJJBSA-N 0 1 457.599 5.357 40 10 JKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409239221 570181146 /nfs/dbraw/zinc/18/11/46/570181146.db2.gz HAUQQMKNVAMLTB-GNFOSXPUSA-N 0 1 458.583 5.465 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000409242116 570182407 /nfs/dbraw/zinc/18/24/07/570182407.db2.gz MCTHURHMTWUWEC-WOJGMQOQSA-N 0 1 470.381 5.232 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000409245696 570184092 /nfs/dbraw/zinc/18/40/92/570184092.db2.gz XRLLBEGIOHLRNH-XDHOZWIPSA-N 0 1 485.392 6.208 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409246635 570184429 /nfs/dbraw/zinc/18/44/29/570184429.db2.gz JYIFKWBIEDPJIV-MFKUBSTISA-N 0 1 485.653 5.974 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1Cl ZINC000409247654 570184822 /nfs/dbraw/zinc/18/48/22/570184822.db2.gz FGHJICOSUPCCKF-OVCLIPMQSA-N 0 1 493.810 5.029 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 ZINC000409249090 570185303 /nfs/dbraw/zinc/18/53/03/570185303.db2.gz JIULXKSKTXXDSS-KGENOOAVSA-N 0 1 483.515 5.451 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 ZINC000409249776 570185423 /nfs/dbraw/zinc/18/54/23/570185423.db2.gz LLHCGZOLFQTMNL-FOWTUZBSSA-N 0 1 454.960 5.224 40 10 JKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000408526733 570186142 /nfs/dbraw/zinc/18/61/42/570186142.db2.gz CGVIFNAVKGZVOO-JCMHNJIXSA-N 0 1 480.439 7.180 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409252554 570186178 /nfs/dbraw/zinc/18/61/78/570186178.db2.gz SQSSNPCBHLYUSD-XQNSMLJCSA-N 0 1 474.607 5.376 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409253333 570186337 /nfs/dbraw/zinc/18/63/37/570186337.db2.gz TZIWDZQLAQNPBO-RAXLEYEMSA-N 0 1 477.756 5.738 40 10 JKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409253555 570186475 /nfs/dbraw/zinc/18/64/75/570186475.db2.gz ZPGQEAMAZWPUEF-WCIBBKAISA-N 0 1 472.610 5.972 40 10 JKCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409253554 570186535 /nfs/dbraw/zinc/18/65/35/570186535.db2.gz ZPGQEAMAZWPUEF-MRSJDWDVSA-N 0 1 472.610 5.972 40 10 JKCBMN CCc1cc(Br)cc([N+](=O)[O-])c1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408530624 570187881 /nfs/dbraw/zinc/18/78/81/570187881.db2.gz JJKNVAFZDBGDIV-YBEGLDIGSA-N 0 1 477.746 5.600 40 10 JKCBMN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408532274 570188467 /nfs/dbraw/zinc/18/84/67/570188467.db2.gz MFUDZAJLKBHEFI-ZROIWOOFSA-N 0 1 463.719 5.346 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408532274 570188469 /nfs/dbraw/zinc/18/84/69/570188469.db2.gz MFUDZAJLKBHEFI-ZROIWOOFSA-N 0 1 463.719 5.346 40 10 JKCBMN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408533189 570188909 /nfs/dbraw/zinc/18/89/09/570188909.db2.gz OFHAJIPLXPEZBL-ZROIWOOFSA-N 0 1 497.618 6.200 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408533189 570188910 /nfs/dbraw/zinc/18/89/10/570188910.db2.gz OFHAJIPLXPEZBL-ZROIWOOFSA-N 0 1 497.618 6.200 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000408534349 570189318 /nfs/dbraw/zinc/18/93/18/570189318.db2.gz QLXHMNPZYKOMHL-YBEGLDIGSA-N 0 1 457.328 5.309 40 10 JKCBMN COc1cc(N2N=C(C)C(=CNc3ccc(Br)cc3Cl)C2=O)ccc1Cl ZINC000408534201 570189384 /nfs/dbraw/zinc/18/93/84/570189384.db2.gz VHSRZESEEGJUMR-LCYFTJDESA-N 0 1 455.139 5.483 40 10 JKCBMN COc1cc(-n2[nH]c(C)c(C=Nc3ccc(Br)cc3Cl)c2=O)ccc1Cl ZINC000408534201 570189385 /nfs/dbraw/zinc/18/93/85/570189385.db2.gz VHSRZESEEGJUMR-LCYFTJDESA-N 0 1 455.139 5.483 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000408534942 570189719 /nfs/dbraw/zinc/18/97/19/570189719.db2.gz WWRSPCVOSZLNQV-YBEGLDIGSA-N 0 1 457.328 5.309 40 10 JKCBMN COc1ccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1 ZINC000408550634 570194967 /nfs/dbraw/zinc/19/49/67/570194967.db2.gz INOIMOMFOBLRMW-UYRXBGFRSA-N 0 1 497.935 5.024 40 10 JKCBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S)c1cccs1 ZINC000409328218 570202841 /nfs/dbraw/zinc/20/28/41/570202841.db2.gz QBTVTIGMVVGGBE-OQLLNIDSSA-N 0 1 481.407 5.861 40 10 JKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409330966 570204213 /nfs/dbraw/zinc/20/42/13/570204213.db2.gz NSNFUCQVTZPCBD-FYJGNVAPSA-N 0 1 496.635 5.190 40 10 JKCBMN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408584821 570207760 /nfs/dbraw/zinc/20/77/60/570207760.db2.gz VNVRFSLMIZDUGV-UHFFFAOYSA-N 0 1 485.993 5.149 40 10 JKCBMN CCN(CC)Cc1cc([C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000001558462 194127847 /nfs/dbraw/zinc/12/78/47/194127847.db2.gz FICSZXSNUUGUNN-MHZLTWQESA-N 0 1 465.615 5.330 40 10 JKCBMN Oc1c(Br)cc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000003077502 194224311 /nfs/dbraw/zinc/22/43/11/194224311.db2.gz GUWAMKHOXDWCLP-UHFFFAOYSA-N 0 1 474.196 5.943 40 10 JKCBMN CCOC(=O)c1c(CSc2ccccc2)n(Cc2ccccc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000003144050 194231668 /nfs/dbraw/zinc/23/16/68/194231668.db2.gz OPYKLJUYPNGBCX-UHFFFAOYSA-N 0 1 474.626 5.926 40 10 JKCBMN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849393 195384469 /nfs/dbraw/zinc/38/44/69/195384469.db2.gz OCGMIFZODNCHOG-OREGWCPLSA-N 0 1 492.597 5.340 40 10 JKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C1=O ZINC000059087293 195387516 /nfs/dbraw/zinc/38/75/16/195387516.db2.gz WLKBKUBAWGBPDY-XDHOZWIPSA-N 0 1 496.361 5.113 40 10 JKCBMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000059104571 195387879 /nfs/dbraw/zinc/38/78/79/195387879.db2.gz CWQDSPYELVPGGI-GZTJUZNOSA-N 0 1 472.353 5.464 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000059109552 195389271 /nfs/dbraw/zinc/38/92/71/195389271.db2.gz ORYKRDVDIPZILC-FYJGNVAPSA-N 0 1 498.421 6.108 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000059136012 195390951 /nfs/dbraw/zinc/39/09/51/195390951.db2.gz HCXBDAYUBOSXPS-XQNSMLJCSA-N 0 1 482.536 6.230 40 10 JKCBMN Cc1cccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 ZINC000059135961 195390996 /nfs/dbraw/zinc/39/09/96/195390996.db2.gz DFJWHTWWZOOZDL-KGENOOAVSA-N 0 1 469.541 5.809 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000059135950 195391002 /nfs/dbraw/zinc/39/10/02/195391002.db2.gz VIEHDWYSRLYYEE-RCCKNPSSSA-N 0 1 469.541 6.058 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000059135935 195391195 /nfs/dbraw/zinc/39/11/95/195391195.db2.gz CRWRXXAOECKKAY-KGENOOAVSA-N 0 1 461.562 6.028 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000059136207 195391351 /nfs/dbraw/zinc/39/13/51/195391351.db2.gz OJJRKWRZABUQFS-RVDMUPIBSA-N 0 1 488.371 6.212 40 10 JKCBMN COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1 ZINC000059136257 195391385 /nfs/dbraw/zinc/39/13/85/195391385.db2.gz XJLCDXMDBIGIPR-RVDMUPIBSA-N 0 1 484.892 5.197 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000059136218 195391409 /nfs/dbraw/zinc/39/14/09/195391409.db2.gz FFLBIZDSELMEHB-MHWRWJLKSA-N 0 1 488.371 6.212 40 10 JKCBMN COc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 ZINC000059137950 195391980 /nfs/dbraw/zinc/39/19/80/195391980.db2.gz JDDJSHJSOCYORN-CPNJWEJPSA-N 0 1 450.541 5.419 40 10 JKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000016214799 521960385 /nfs/dbraw/zinc/96/03/85/521960385.db2.gz QPOXUVDTMUHFSP-MOSHPQCFSA-N 0 1 462.502 5.085 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1c(F)cccc1Cl ZINC000016268286 526086861 /nfs/dbraw/zinc/08/68/61/526086861.db2.gz JWPDRAJXMOHEGX-RVDMUPIBSA-N 0 1 471.916 5.697 40 10 JKCBMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C1=O ZINC000041108833 526090719 /nfs/dbraw/zinc/09/07/19/526090719.db2.gz NCJINUUZXABJJI-SZHLLGMXSA-N 0 1 468.538 5.664 40 10 JKCBMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O ZINC000041108830 526096292 /nfs/dbraw/zinc/09/62/92/526096292.db2.gz GMHAEMJNAKAGIL-RJDQKLELSA-N 0 1 462.509 5.603 40 10 JKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002279648 554130593 /nfs/dbraw/zinc/13/05/93/554130593.db2.gz GIVBFEAAAYPMEZ-LPYMAVHISA-N 0 1 455.514 5.500 40 10 JKCBMN O=[N+]([O-])c1cccc2c1nc1ccccc1c2Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000005614341 554492399 /nfs/dbraw/zinc/49/23/99/554492399.db2.gz NYYOLBFFJSLJQX-UHFFFAOYSA-N 0 1 477.527 5.297 40 10 JKCBMN CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Br)c1O)Nc1ccccc1-2 ZINC000008763964 554664446 /nfs/dbraw/zinc/66/44/46/554664446.db2.gz NPSLUIBWTBIGJO-MRXNPFEDSA-N 0 1 465.760 5.275 40 10 JKCBMN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1O ZINC000008856621 554752851 /nfs/dbraw/zinc/75/28/51/554752851.db2.gz YGTMZHURPOIXQZ-JJIBRWJFSA-N 0 1 477.476 5.927 40 10 JKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc31)C2 ZINC000008917900 554813549 /nfs/dbraw/zinc/81/35/49/554813549.db2.gz WIMLOHBGWSTMRH-KWMCUTETSA-N 0 1 461.558 5.337 40 10 JKCBMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000020287654 555756041 /nfs/dbraw/zinc/75/60/41/555756041.db2.gz OCCVIFXAWHWZCT-HAHDFKILSA-N 0 1 456.527 5.101 40 10 JKCBMN CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018126933 556291616 /nfs/dbraw/zinc/29/16/16/556291616.db2.gz KDWPXBAHHVCUNV-DSITVLBTSA-N 0 1 475.976 5.237 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000059109521 569602324 /nfs/dbraw/zinc/60/23/24/569602324.db2.gz NLNYPBBIASQZEM-CIAFOILYSA-N 0 1 496.394 6.631 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000059109526 569602374 /nfs/dbraw/zinc/60/23/74/569602374.db2.gz GKELTVOGGGOBCP-HYARGMPZSA-N 0 1 461.949 5.978 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000059109540 569602391 /nfs/dbraw/zinc/60/23/91/569602391.db2.gz HRWOAKRRZMXILT-WOJGMQOQSA-N 0 1 460.361 6.036 40 10 JKCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000033739803 569632969 /nfs/dbraw/zinc/63/29/69/569632969.db2.gz GWZCJIIPMILQTF-LICLKQGHSA-N 0 1 488.382 5.168 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000034793219 569660680 /nfs/dbraw/zinc/66/06/80/569660680.db2.gz GKFCNOASRWPUSS-RGVLZGJSSA-N 0 1 487.478 5.924 40 10 JKCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000034793783 569660824 /nfs/dbraw/zinc/66/08/24/569660824.db2.gz TVECZDNVWKIGOY-UQQQWYQISA-N 0 1 468.553 5.163 40 10 JKCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000035304349 569679843 /nfs/dbraw/zinc/67/98/43/569679843.db2.gz SWVUQTQTJHWGAE-HAVVHWLPSA-N 0 1 455.583 5.674 40 10 JKCBMN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000087722321 569717961 /nfs/dbraw/zinc/71/79/61/569717961.db2.gz HDKKYHKRLXLXTL-NSIKDUERSA-N 0 1 457.316 5.022 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000103122009 569833019 /nfs/dbraw/zinc/83/30/19/569833019.db2.gz GKVWZLRYAXOQCJ-LPYMAVHISA-N 0 1 463.990 5.607 40 10 JKCBMN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920924 569839300 /nfs/dbraw/zinc/83/93/00/569839300.db2.gz NIVTUIVAWVJGOI-STZFKDTASA-N 0 1 479.392 6.740 40 10 JKCBMN COc1cccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)c1 ZINC000105995576 569853701 /nfs/dbraw/zinc/85/37/01/569853701.db2.gz LVCXHAUTYIAPOF-UYRXBGFRSA-N 0 1 497.935 5.024 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000107912834 569857909 /nfs/dbraw/zinc/85/79/09/569857909.db2.gz VKIXGGCZOWSDJB-BUVRLJJBSA-N 0 1 483.568 5.222 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000107963720 569858097 /nfs/dbraw/zinc/85/80/97/569858097.db2.gz ANFVHOQGEQADPC-XYGWBWBKSA-N 0 1 465.509 5.016 40 10 JKCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000108234836 569859148 /nfs/dbraw/zinc/85/91/48/569859148.db2.gz SCZNVJOLXAWFGM-AQTBWJFISA-N 0 1 469.324 5.042 40 10 JKCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000108234840 569859165 /nfs/dbraw/zinc/85/91/65/569859165.db2.gz SCZNVJOLXAWFGM-QGOAFFKASA-N 0 1 469.324 5.042 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)cc3)C(=O)NC2=S)cc1 ZINC000108285574 569859403 /nfs/dbraw/zinc/85/94/03/569859403.db2.gz YOHHZMDFYHXKEK-OVVQPSECSA-N 0 1 492.600 5.813 40 10 JKCBMN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccccc1Sc1ccccc1 ZINC000112295057 569861171 /nfs/dbraw/zinc/86/11/71/569861171.db2.gz YEKSYYQNBCAJLG-XHPQRKPJSA-N 0 1 457.599 6.735 40 10 JKCBMN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208195203 569874924 /nfs/dbraw/zinc/87/49/24/569874924.db2.gz DUPVWLRDMXIJFN-BXUJETTOSA-N 0 1 498.446 5.002 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S ZINC000208236588 569875103 /nfs/dbraw/zinc/87/51/03/569875103.db2.gz KEJWEGZWKJQLBK-JPOGYNCRSA-N 0 1 461.631 5.111 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1C ZINC000208235995 569875109 /nfs/dbraw/zinc/87/51/09/569875109.db2.gz SHFAGDPXHSPYPH-ZFJBLLOBSA-N 0 1 461.631 5.165 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000208244957 569875199 /nfs/dbraw/zinc/87/51/99/569875199.db2.gz GGCGXQOWAUPKGC-SLDJAQPHSA-N 0 1 498.048 5.292 40 10 JKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208307459 569875250 /nfs/dbraw/zinc/87/52/50/569875250.db2.gz XGXWJUAOIPAWQI-AQRZYSDFSA-N 0 1 461.631 5.247 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C ZINC000208326706 569875415 /nfs/dbraw/zinc/87/54/15/569875415.db2.gz DSBHDFOHHIJGRM-CXDFQFJYSA-N 0 1 465.594 5.078 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)c1 ZINC000208455257 569875435 /nfs/dbraw/zinc/87/54/35/569875435.db2.gz MSXPGCLQNXDHGC-LPYMAVHISA-N 0 1 459.615 5.075 40 10 JKCBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208449521 569875492 /nfs/dbraw/zinc/87/54/92/569875492.db2.gz LSYVUIQWZLYVAW-LFIBNONCSA-N 0 1 486.424 5.456 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)NC1=S ZINC000208468770 569875572 /nfs/dbraw/zinc/87/55/72/569875572.db2.gz DKEFOYCZLRTMSQ-WOJGMQOQSA-N 0 1 466.006 5.111 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208474951 569875644 /nfs/dbraw/zinc/87/56/44/569875644.db2.gz HKKXOINPKOWLAU-YBFXNURJSA-N 0 1 466.006 5.111 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208524268 569875768 /nfs/dbraw/zinc/87/57/68/569875768.db2.gz PWOGMQARWUDFRY-HYARGMPZSA-N 0 1 459.615 5.157 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)c1 ZINC000223483278 569912869 /nfs/dbraw/zinc/91/28/69/569912869.db2.gz NIOIDVAYLJCJQT-HYARGMPZSA-N 0 1 459.615 5.237 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1 ZINC000223483039 569912911 /nfs/dbraw/zinc/91/29/11/569912911.db2.gz QHJXCBTXOFVJAQ-HYARGMPZSA-N 0 1 459.615 5.237 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)NC1=S ZINC000223490272 569913213 /nfs/dbraw/zinc/91/32/13/569913213.db2.gz ZQEYDMIIAMXBCV-PXLXIMEGSA-N 0 1 473.642 5.491 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)c1 ZINC000223489397 569913244 /nfs/dbraw/zinc/91/32/44/569913244.db2.gz MHPBNFIAYJQHIE-OEAKJJBVSA-N 0 1 473.642 5.545 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)NC2=S)c1 ZINC000223515159 569914199 /nfs/dbraw/zinc/91/41/99/569914199.db2.gz LGFJRFYOECFXCN-ZVHZXABRSA-N 0 1 487.669 5.853 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578295 569916720 /nfs/dbraw/zinc/91/67/20/569916720.db2.gz WVGMAXINHUCFID-REIAIGDLSA-N 0 1 482.049 5.592 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223600274 569917448 /nfs/dbraw/zinc/91/74/48/569917448.db2.gz FONPCMPWJIDZMJ-SDLXJUDFSA-N 0 1 461.631 5.327 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1C ZINC000223610213 569917814 /nfs/dbraw/zinc/91/78/14/569917814.db2.gz YREBZOAFDKVICW-PGLVWIQMSA-N 0 1 489.685 5.944 40 10 JKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(C)=O ZINC000225035306 569970666 /nfs/dbraw/zinc/97/06/66/569970666.db2.gz WPAPDWNFVBUPNK-UHFFFAOYSA-N 0 1 474.991 5.052 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408692312 570015272 /nfs/dbraw/zinc/01/52/72/570015272.db2.gz JOEVAVSWTJREPJ-UDWIEESQSA-N 0 1 482.964 5.031 40 10 JKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OCC ZINC000408695357 570017807 /nfs/dbraw/zinc/01/78/07/570017807.db2.gz SERXRSOYEVIQAF-UHFFFAOYSA-N 0 1 459.951 5.169 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 ZINC000408722923 570027434 /nfs/dbraw/zinc/02/74/34/570027434.db2.gz OMBJQMOFVYMMKR-DEDYPNTBSA-N 0 1 477.372 6.131 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739397 570031549 /nfs/dbraw/zinc/03/15/49/570031549.db2.gz BKMLDSCKXRBFSI-LPYMAVHISA-N 0 1 463.990 5.196 40 10 JKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c1 ZINC000408739379 570031552 /nfs/dbraw/zinc/03/15/52/570031552.db2.gz BHXONSKOIGZJAL-PDGQHHTCSA-N 0 1 487.364 5.483 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408742347 570032561 /nfs/dbraw/zinc/03/25/61/570032561.db2.gz QRWSRARLECISJY-GDNBJRDFSA-N 0 1 477.756 5.738 40 10 JKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408742727 570032668 /nfs/dbraw/zinc/03/26/68/570032668.db2.gz SIOQWPMJJWETTQ-GZTJUZNOSA-N 0 1 487.762 5.194 40 10 JKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl ZINC000408742844 570032696 /nfs/dbraw/zinc/03/26/96/570032696.db2.gz SYZHQRGNVBGLNU-XGICHPGQSA-N 0 1 490.593 5.241 40 10 JKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408752325 570034615 /nfs/dbraw/zinc/03/46/15/570034615.db2.gz DJEUZZVLFJBONK-SDNWHVSQSA-N 0 1 475.378 5.569 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000408762987 570037368 /nfs/dbraw/zinc/03/73/68/570037368.db2.gz CZPJBWAAAGPDIU-HZHRSRAPSA-N 0 1 457.599 5.105 40 10 JKCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C(=O)NC2=S)cc1 ZINC000408763196 570037376 /nfs/dbraw/zinc/03/73/76/570037376.db2.gz RQDMYOXRSAADJI-UQQQWYQISA-N 0 1 494.572 5.259 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408766471 570038081 /nfs/dbraw/zinc/03/80/81/570038081.db2.gz RCNGDYWCMPFIAJ-KEBDBYFISA-N 0 1 470.381 5.232 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408769438 570038542 /nfs/dbraw/zinc/03/85/42/570038542.db2.gz UZIMJFGDMKNFBA-LPYMAVHISA-N 0 1 463.990 5.196 40 10 JKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2c1 ZINC000408771495 570039014 /nfs/dbraw/zinc/03/90/14/570039014.db2.gz IKTZHONUAYSIAM-HZHRSRAPSA-N 0 1 474.582 5.085 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408775655 570040225 /nfs/dbraw/zinc/04/02/25/570040225.db2.gz JPQJTNSETQFAKO-XIEYBQDHSA-N 0 1 477.589 5.592 40 10 JKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2c1 ZINC000408790003 570043844 /nfs/dbraw/zinc/04/38/44/570043844.db2.gz PQJFDWDOFYMJPS-PXLXIMEGSA-N 0 1 474.582 5.085 40 10 JKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408843305 570054005 /nfs/dbraw/zinc/05/40/05/570054005.db2.gz FHUWQLZJWISMIO-YZSQISJMSA-N 0 1 484.600 5.224 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408847644 570054904 /nfs/dbraw/zinc/05/49/04/570054904.db2.gz QUTKMXFICGGLAF-LDADJPATSA-N 0 1 498.435 5.849 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408848228 570055080 /nfs/dbraw/zinc/05/50/80/570055080.db2.gz RGDYDBFIBQEBQU-QGOAFFKASA-N 0 1 498.435 5.795 40 10 JKCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 ZINC000408850057 570055297 /nfs/dbraw/zinc/05/52/97/570055297.db2.gz FAWVXSYYEZGGIC-FOWTUZBSSA-N 0 1 471.365 5.377 40 10 JKCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408850329 570055441 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Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409011353 570099651 /nfs/dbraw/zinc/09/96/51/570099651.db2.gz GGCABJWENPIQIX-PCLIKHOPSA-N 0 1 479.605 5.695 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000409015872 570101146 /nfs/dbraw/zinc/10/11/46/570101146.db2.gz CDCREVJVIVYJKT-CLXYIWAZSA-N 0 1 487.419 5.075 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000409018614 570102096 /nfs/dbraw/zinc/10/20/96/570102096.db2.gz XIRXJPAYHTUEIZ-YZSQISJMSA-N 0 1 485.653 5.885 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000409019425 570102542 /nfs/dbraw/zinc/10/25/42/570102542.db2.gz IZJLOOXHMGZAHP-XDHOZWIPSA-N 0 1 468.987 5.532 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409020387 570102743 /nfs/dbraw/zinc/10/27/43/570102743.db2.gz OTQIAMSXEQBURI-OEAKJJBVSA-N 0 1 457.599 5.159 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1C ZINC000409022874 570103485 /nfs/dbraw/zinc/10/34/85/570103485.db2.gz HIVNUKPGDNWBQO-XDHOZWIPSA-N 0 1 485.055 6.001 40 10 JKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409023874 570103770 /nfs/dbraw/zinc/10/37/70/570103770.db2.gz LQYKFFBGWDSNSX-GZTJUZNOSA-N 0 1 474.991 5.523 40 10 JKCBMN O=C1C(=Cc2cc(Cl)cc(Cl)c2O)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409048232 570109257 /nfs/dbraw/zinc/10/92/57/570109257.db2.gz RVWPPEKZJVNVCO-UHFFFAOYSA-N 0 1 453.281 5.282 40 10 JKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409069104 570117575 /nfs/dbraw/zinc/11/75/75/570117575.db2.gz CBFZDRIVPXQFOW-KGENOOAVSA-N 0 1 494.016 5.286 40 10 JKCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc12 ZINC000409072271 570118786 /nfs/dbraw/zinc/11/87/86/570118786.db2.gz MXPBPSVWNRJJEX-QGOAFFKASA-N 0 1 450.947 5.032 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409073210 570119064 /nfs/dbraw/zinc/11/90/64/570119064.db2.gz PQFAPWMFBWBLPF-FYJGNVAPSA-N 0 1 478.017 5.504 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1Cl ZINC000409094351 570125973 /nfs/dbraw/zinc/12/59/73/570125973.db2.gz DQIWINRHZJXISS-SFQUDFHCSA-N 0 1 484.408 5.541 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409094667 570126162 /nfs/dbraw/zinc/12/61/62/570126162.db2.gz FSNFJWXTSSZRLI-DEDYPNTBSA-N 0 1 485.417 5.976 40 10 JKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409098018 570127315 /nfs/dbraw/zinc/12/73/15/570127315.db2.gz ICZICJLSJUPLBV-KGENOOAVSA-N 0 1 492.044 5.758 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409097758 570127394 /nfs/dbraw/zinc/12/73/94/570127394.db2.gz NLHHUOCGXYXTAE-DEDYPNTBSA-N 0 1 478.017 5.504 40 10 JKCBMN 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CCN(C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1)c1ccccc1 ZINC000257283886 570133801 /nfs/dbraw/zinc/13/38/01/570133801.db2.gz PAHWTXJISCLPPZ-QFIPXVFZSA-N 0 1 470.617 5.294 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c1C ZINC000409129233 570139464 /nfs/dbraw/zinc/13/94/64/570139464.db2.gz RHDPFSKJNZYSAX-LDADJPATSA-N 0 1 481.371 5.157 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409132765 570140834 /nfs/dbraw/zinc/14/08/34/570140834.db2.gz RCPZJDHYVONCMB-BUVRLJJBSA-N 0 1 471.626 5.666 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409137697 570143116 /nfs/dbraw/zinc/14/31/16/570143116.db2.gz YHLUKQRICYALEE-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409138423 570143405 /nfs/dbraw/zinc/14/34/05/570143405.db2.gz BNNSXXICKNLSEO-LDADJPATSA-N 0 1 481.371 5.157 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c(C)c1 ZINC000409140242 570144264 /nfs/dbraw/zinc/14/42/64/570144264.db2.gz QEXUKCMPBWFMHI-GZTJUZNOSA-N 0 1 471.365 5.702 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c(C)c1 ZINC000409142637 570145336 /nfs/dbraw/zinc/14/53/36/570145336.db2.gz AOKGYZSCSXJJOR-XDHOZWIPSA-N 0 1 450.947 5.357 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409148694 570148223 /nfs/dbraw/zinc/14/82/23/570148223.db2.gz ZUNNJAOSFKQTEI-KOEQRZSOSA-N 0 1 485.653 5.885 40 10 JKCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000409167055 570153629 /nfs/dbraw/zinc/15/36/29/570153629.db2.gz IFXOOVJSIUBIAA-RVDMUPIBSA-N 0 1 473.337 5.093 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1 ZINC000260567379 570154307 /nfs/dbraw/zinc/15/43/07/570154307.db2.gz KYAJDXCLKNOYNC-MNOULKQQSA-N 0 1 461.631 5.165 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S ZINC000260565608 570154335 /nfs/dbraw/zinc/15/43/35/570154335.db2.gz JGWAMGLNTQHXIK-IYSPOMMRSA-N 0 1 482.049 5.456 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c(C)c1 ZINC000260567338 570154361 /nfs/dbraw/zinc/15/43/61/570154361.db2.gz KMZRTIUIUYYZCA-KOMLCTQHSA-N 0 1 461.631 5.165 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C ZINC000260569791 570154485 /nfs/dbraw/zinc/15/44/85/570154485.db2.gz SHFAGDPXHSPYPH-MNOULKQQSA-N 0 1 461.631 5.165 40 10 JKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260573728 570154517 /nfs/dbraw/zinc/15/45/17/570154517.db2.gz ZOHGICKSIZHUJL-WMRWHDLOSA-N 0 1 482.049 5.672 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C ZINC000260573443 570154594 /nfs/dbraw/zinc/15/45/94/570154594.db2.gz YREBZOAFDKVICW-LSCMLXDISA-N 0 1 489.685 5.944 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1 ZINC000260572514 570154604 /nfs/dbraw/zinc/15/46/04/570154604.db2.gz WMQUDNINOCXAHO-SKCQWOFPSA-N 0 1 468.022 5.202 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409221596 570174779 /nfs/dbraw/zinc/17/47/79/570174779.db2.gz SPUXHLLQRJEZBZ-PXLXIMEGSA-N 0 1 485.996 5.732 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409223470 570175256 /nfs/dbraw/zinc/17/52/56/570175256.db2.gz ZPKAVPHERBETTF-WOJGMQOQSA-N 0 1 484.408 5.541 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c(C)c1 ZINC000409224898 570175678 /nfs/dbraw/zinc/17/56/78/570175678.db2.gz IZDNHVJCUYXHBR-HAHDFKILSA-N 0 1 483.568 5.277 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409225190 570175746 /nfs/dbraw/zinc/17/57/46/570175746.db2.gz JRKWTUBALVSVLV-KOEQRZSOSA-N 0 1 485.653 5.885 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409225832 570175917 /nfs/dbraw/zinc/17/59/17/570175917.db2.gz LXCLKYFEQQQWEY-WQRHYEAKSA-N 0 1 484.408 5.541 40 10 JKCBMN CC(C)n1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC000409227054 570176219 /nfs/dbraw/zinc/17/62/19/570176219.db2.gz OKEURVXFPRJQAV-VCHYOVAHSA-N 0 1 457.477 5.072 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C ZINC000409228760 570176904 /nfs/dbraw/zinc/17/69/04/570176904.db2.gz DQVUDENGVSHEGZ-UDWIEESQSA-N 0 1 463.990 5.196 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409230140 570177362 /nfs/dbraw/zinc/17/73/62/570177362.db2.gz BWDNLLMWZXSVPS-GXDHUFHOSA-N 0 1 477.756 5.738 40 10 JKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)c1 ZINC000409230016 570177471 /nfs/dbraw/zinc/17/74/71/570177471.db2.gz WLQUPWSWQRENIP-BUVRLJJBSA-N 0 1 479.605 5.446 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409229963 570177475 /nfs/dbraw/zinc/17/74/75/570177475.db2.gz BCBZEIYHCUMGGE-XQNSMLJCSA-N 0 1 458.608 5.540 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1Cl ZINC000409230326 570177527 /nfs/dbraw/zinc/17/75/27/570177527.db2.gz YGMFXBYXWMFKCT-GZTJUZNOSA-N 0 1 457.338 5.393 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OCC ZINC000409230971 570177807 /nfs/dbraw/zinc/17/78/07/570177807.db2.gz AJEFPRXHGSPWSU-WOJGMQOQSA-N 0 1 472.994 5.092 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C1CCCCC1 ZINC000409231600 570178007 /nfs/dbraw/zinc/17/80/07/570178007.db2.gz KFONIOCCHXMRCD-UDWIEESQSA-N 0 1 475.536 5.460 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409232160 570178182 /nfs/dbraw/zinc/17/81/82/570178182.db2.gz NJCYPGLMVJAGPY-YDZHTSKRSA-N 0 1 492.044 6.011 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409232786 570178449 /nfs/dbraw/zinc/17/84/49/570178449.db2.gz PWXLUSYIJGSRJL-HZHRSRAPSA-N 0 1 457.599 5.357 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409233760 570178834 /nfs/dbraw/zinc/17/88/34/570178834.db2.gz WTKCPFLAFKBCNZ-PDGQHHTCSA-N 0 1 485.392 6.208 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1 ZINC000409234760 570179136 /nfs/dbraw/zinc/17/91/36/570179136.db2.gz MGGIRPHGMUBEHI-KGENOOAVSA-N 0 1 462.596 5.694 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C ZINC000409237326 570180357 /nfs/dbraw/zinc/18/03/57/570180357.db2.gz VZENVVXEPJUFNK-LFVJCYFKSA-N 0 1 471.626 5.611 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1Cl ZINC000409237648 570180533 /nfs/dbraw/zinc/18/05/33/570180533.db2.gz AUIGUGZHNJCOJG-GZTJUZNOSA-N 0 1 490.890 5.759 40 10 JKCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C(C)C ZINC000409241262 570181967 /nfs/dbraw/zinc/18/19/67/570181967.db2.gz SOWGECKRWTVLOP-HYARGMPZSA-N 0 1 450.604 5.472 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409241362 570182147 /nfs/dbraw/zinc/18/21/47/570182147.db2.gz RURRYPCHSWGPII-SFQUDFHCSA-N 0 1 484.408 5.541 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409241765 570182240 /nfs/dbraw/zinc/18/22/40/570182240.db2.gz YLXBIFWCGRNFJT-KGENOOAVSA-N 0 1 478.017 5.702 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000409242375 570182484 /nfs/dbraw/zinc/18/24/84/570182484.db2.gz RKSAIBJLAURLQW-IYSPOMMRSA-N 0 1 456.995 5.472 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000409242376 570182505 /nfs/dbraw/zinc/18/25/05/570182505.db2.gz RKSAIBJLAURLQW-UZUMKDMXSA-N 0 1 456.995 5.472 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409244374 570183437 /nfs/dbraw/zinc/18/34/37/570183437.db2.gz BPTVIHNLNNSHDM-GFQQVXNGSA-N 0 1 482.911 5.367 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1Cl ZINC000409244285 570183483 /nfs/dbraw/zinc/18/34/83/570183483.db2.gz AQEHTNJSNJKDMM-UDWIEESQSA-N 0 1 499.444 6.284 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)cc1Cl ZINC000409244345 570183518 /nfs/dbraw/zinc/18/35/18/570183518.db2.gz BHZDWARENYHWCN-DEDYPNTBSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409246584 570184470 /nfs/dbraw/zinc/18/44/70/570184470.db2.gz IZOGXXNZMLKHPA-KGENOOAVSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409247197 570184682 /nfs/dbraw/zinc/18/46/82/570184682.db2.gz CJUGNDGNTBPFLI-KGENOOAVSA-N 0 1 476.001 5.233 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000409247199 570184696 /nfs/dbraw/zinc/18/46/96/570184696.db2.gz CJVJCERUEVZRMF-XDHOZWIPSA-N 0 1 495.944 5.463 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1F ZINC000409249042 570185222 /nfs/dbraw/zinc/18/52/22/570185222.db2.gz IFBZZWZNPYAMEO-WOJGMQOQSA-N 0 1 487.478 5.083 40 10 JKCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409249807 570185521 /nfs/dbraw/zinc/18/55/21/570185521.db2.gz LPKKCVNAEXCBII-FYJGNVAPSA-N 0 1 475.526 5.118 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409249855 570185589 /nfs/dbraw/zinc/18/55/89/570185589.db2.gz LZJZYEILNORUBE-XQNSMLJCSA-N 0 1 465.578 5.387 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409250355 570185656 /nfs/dbraw/zinc/18/56/56/570185656.db2.gz NGZXAFFLPSROST-XSFVSMFZSA-N 0 1 463.990 5.141 40 10 JKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C ZINC000409250274 570185661 /nfs/dbraw/zinc/18/56/61/570185661.db2.gz QHCMRHAJSLZVQA-HZHRSRAPSA-N 0 1 471.626 5.413 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S ZINC000409250690 570185743 /nfs/dbraw/zinc/18/57/43/570185743.db2.gz XWSSGYTVZDBYAF-PTNGSMBKSA-N 0 1 457.338 5.393 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NC1=S ZINC000409251692 570185873 /nfs/dbraw/zinc/18/58/73/570185873.db2.gz VSBKBELNSOVYJA-SFQUDFHCSA-N 0 1 456.445 5.105 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000409251338 570185901 /nfs/dbraw/zinc/18/59/01/570185901.db2.gz PFPCLBHBIAFJCW-UNOMPAQXSA-N 0 1 485.392 6.208 40 10 JKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1 ZINC000409252401 570186158 /nfs/dbraw/zinc/18/61/58/570186158.db2.gz XQIIHIIPKIAHSN-IWIPYMOSSA-N 0 1 499.567 5.059 40 10 JKCBMN 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ZINC000408539683 570191322 /nfs/dbraw/zinc/19/13/22/570191322.db2.gz JJPPFFJRKQALAB-ATVHPVEESA-N 0 1 477.413 5.784 40 10 JKCBMN COc1ccccc1Oc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408550302 570194891 /nfs/dbraw/zinc/19/48/91/570194891.db2.gz FRVPXEGEPBPTHG-LGMDPLHJSA-N 0 1 497.935 5.024 40 10 JKCBMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NCC(C)C ZINC000408584292 570207554 /nfs/dbraw/zinc/20/75/54/570207554.db2.gz NVPGJCOQVSVZIR-UHFFFAOYSA-N 0 1 485.005 5.066 40 10 JKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl ZINC000408586533 570208164 /nfs/dbraw/zinc/20/81/64/570208164.db2.gz OWZJZBXBAXGVJN-UHFFFAOYSA-N 0 1 450.343 5.424 40 10 JKCBMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc31)C2 ZINC000001454576 194123635 /nfs/dbraw/zinc/12/36/35/194123635.db2.gz WIMLOHBGWSTMRH-JMQGSBJISA-N 0 1 461.558 5.337 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000058849384 195384248 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/nfs/dbraw/zinc/39/13/10/195391310.db2.gz LOOJTNFYINQCKU-MHWRWJLKSA-N 0 1 498.923 5.466 40 10 JKCBMN CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059136314 195391390 /nfs/dbraw/zinc/39/13/90/195391390.db2.gz AMQLWPZTPJIGQG-UKTHLTGXSA-N 0 1 493.354 5.057 40 10 JKCBMN CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000059136216 195391483 /nfs/dbraw/zinc/39/14/83/195391483.db2.gz IOSPHZKZNXEUPF-XSFVSMFZSA-N 0 1 463.534 5.304 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000059136178 195391505 /nfs/dbraw/zinc/39/15/05/195391505.db2.gz WWPCTYDNLZUDJB-WOJGMQOQSA-N 0 1 498.377 5.667 40 10 JKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 ZINC000059137961 195392078 /nfs/dbraw/zinc/39/20/78/195392078.db2.gz NBTGFTJVFTZWHE-RVDMUPIBSA-N 0 1 489.405 6.718 40 10 JKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059194105 195394282 /nfs/dbraw/zinc/39/42/82/195394282.db2.gz KSZQIXBGCYFDSV-WQRHYEAKSA-N 0 1 469.324 5.042 40 10 JKCBMN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000005946219 520720132 /nfs/dbraw/zinc/72/01/32/520720132.db2.gz XMFIEJPNIHDSFR-JJIBRWJFSA-N 0 1 491.588 5.686 40 10 JKCBMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 ZINC000033561090 524383515 /nfs/dbraw/zinc/38/35/15/524383515.db2.gz MUPJWKAGTPPVKD-FYJGNVAPSA-N 0 1 465.962 5.428 40 10 JKCBMN Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1 ZINC000033423324 525415442 /nfs/dbraw/zinc/41/54/42/525415442.db2.gz MMPYSTPJBVRJPP-XIEYBQDHSA-N 0 1 485.584 6.054 40 10 JKCBMN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@H](O)CCn4cccc4)cc3)c2c1 ZINC000004830965 525681850 /nfs/dbraw/zinc/68/18/50/525681850.db2.gz PVZTUHTXZVLZBY-AREMUKBSSA-N 0 1 457.961 6.719 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000016488322 527056931 /nfs/dbraw/zinc/05/69/31/527056931.db2.gz SFDJBWINWOZHKA-JLPGSUDCSA-N 0 1 482.536 5.389 40 10 JKCBMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000002667128 554278709 /nfs/dbraw/zinc/27/87/09/554278709.db2.gz RIUQYEWZDJLFRW-SOKVYYICSA-N 0 1 460.599 6.176 40 10 JKCBMN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000008819771 554705826 /nfs/dbraw/zinc/70/58/26/554705826.db2.gz BUVKGCLWZLBMDH-MOSHPQCFSA-N 0 1 485.587 5.009 40 10 JKCBMN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1 ZINC000009498735 555283421 /nfs/dbraw/zinc/28/34/21/555283421.db2.gz CBAPORZLOWXHFY-XJUOHMSHSA-N 0 1 483.351 5.367 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000013575908 555514938 /nfs/dbraw/zinc/51/49/38/555514938.db2.gz GTEJTEHAAKUREK-ODLFYWEKSA-N 0 1 471.742 5.108 40 10 JKCBMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c1C ZINC000010112172 555625014 /nfs/dbraw/zinc/62/50/14/555625014.db2.gz JPJKEGWNEGOTHC-UHFFFAOYSA-N 0 1 498.048 5.288 40 10 JKCBMN COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c(OC)c1 ZINC000020288023 555756851 /nfs/dbraw/zinc/75/68/51/555756851.db2.gz UJLPGCKESSGEJM-KQWNVCNZSA-N 0 1 470.554 5.451 40 10 JKCBMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000011867308 555844226 /nfs/dbraw/zinc/84/42/26/555844226.db2.gz MSVQRQDUIPRIMZ-QLXKLKPCSA-N 0 1 452.620 5.894 40 10 JKCBMN Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)cc2F)C(=O)NC1=S ZINC000027906201 556309562 /nfs/dbraw/zinc/30/95/62/556309562.db2.gz MZTIINGYUFJABK-SFQUDFHCSA-N 0 1 457.958 5.449 40 10 JKCBMN CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl ZINC000032109808 556420225 /nfs/dbraw/zinc/42/02/25/556420225.db2.gz HWIUGRUNUFTLSV-STZFKDTASA-N 0 1 478.932 5.245 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000032192946 556433471 /nfs/dbraw/zinc/43/34/71/556433471.db2.gz ASCCVLDIQKRIJI-RVDMUPIBSA-N 0 1 458.923 5.055 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000059109518 569602329 /nfs/dbraw/zinc/60/23/29/569602329.db2.gz MHRLUNUUYXWOQB-YZSQISJMSA-N 0 1 477.564 6.478 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000059109539 569602371 /nfs/dbraw/zinc/60/23/71/569602371.db2.gz JANCJSSDGRZSBF-DEDYPNTBSA-N 0 1 470.367 5.491 40 10 JKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000033668716 569630498 /nfs/dbraw/zinc/63/04/98/569630498.db2.gz WPAJHMLVBLASCT-UCQKPKSFSA-N 0 1 499.910 5.442 40 10 JKCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101025827 569779948 /nfs/dbraw/zinc/77/99/48/569779948.db2.gz KRJYEFZBUAXKED-VABKMULXSA-N 0 1 482.367 5.111 40 10 JKCBMN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc(Cl)cc(Cl)c3O)C2=O)cc1 ZINC000101212917 569787305 /nfs/dbraw/zinc/78/73/05/569787305.db2.gz MKHNEAQWPHFKIP-XPNTWCBSSA-N 0 1 499.350 5.149 40 10 JKCBMN Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 ZINC000102491260 569813621 /nfs/dbraw/zinc/81/36/21/569813621.db2.gz UUWOOGAKBOGZIN-JOKXDOCYSA-N 0 1 454.490 6.487 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000107363341 569856441 /nfs/dbraw/zinc/85/64/41/569856441.db2.gz SXBZGXTZMZTICH-PDGQHHTCSA-N 0 1 470.381 5.232 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)cc1 ZINC000107606295 569856664 /nfs/dbraw/zinc/85/66/64/569856664.db2.gz KJXUWXSZVYCRPW-UDWIEESQSA-N 0 1 498.435 5.795 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)cc1 ZINC000107907179 569857868 /nfs/dbraw/zinc/85/78/68/569857868.db2.gz HKYZBOXXASTCCP-XSFVSMFZSA-N 0 1 463.990 5.141 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000108216458 569859098 /nfs/dbraw/zinc/85/90/98/569859098.db2.gz GFIPLPPEPJHHBF-PCLIKHOPSA-N 0 1 479.605 5.392 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1C ZINC000208235521 569875116 /nfs/dbraw/zinc/87/51/16/569875116.db2.gz ZUVRZKVVEVIGNL-RSZPVBOMSA-N 0 1 461.631 5.165 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208236964 569875122 /nfs/dbraw/zinc/87/51/22/569875122.db2.gz GZCPHZPJBCXWME-PZUDMAOCSA-N 0 1 468.022 5.202 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1C ZINC000208238982 569875151 /nfs/dbraw/zinc/87/51/51/569875151.db2.gz MVTOKZXANLWHBO-BKQORJHRSA-N 0 1 482.049 5.510 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208237006 569875156 /nfs/dbraw/zinc/87/51/56/569875156.db2.gz GZCPHZPJBCXWME-BBJIBYMTSA-N 0 1 468.022 5.202 40 10 JKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208312964 569875360 /nfs/dbraw/zinc/87/53/60/569875360.db2.gz XCQYQQXLTOYUNH-RVZJCZPVSA-N 0 1 468.022 5.283 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208326344 569875392 /nfs/dbraw/zinc/87/53/92/569875392.db2.gz JKOVDNXRXNUWSG-SDLXJUDFSA-N 0 1 475.658 5.555 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325023 569875413 /nfs/dbraw/zinc/87/54/13/569875413.db2.gz KRZGQZNFSKACMY-IXOWOOARSA-N 0 1 475.658 5.555 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208470002 569875521 /nfs/dbraw/zinc/87/55/21/569875521.db2.gz YBWWUESVXAWCHM-UDWIEESQSA-N 0 1 480.033 5.365 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208517646 569875671 /nfs/dbraw/zinc/87/56/71/569875671.db2.gz BJQKBEMFPIBVPV-OEAKJJBVSA-N 0 1 473.642 5.465 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208519270 569875727 /nfs/dbraw/zinc/87/57/27/569875727.db2.gz FAVRUWIEUUJMKK-OEAKJJBVSA-N 0 1 473.642 5.465 40 10 JKCBMN 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O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408965123 570087257 /nfs/dbraw/zinc/08/72/57/570087257.db2.gz GTKFSSLFYBGEHB-ZROIWOOFSA-N 0 1 495.746 5.877 40 10 JKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408966691 570087665 /nfs/dbraw/zinc/08/76/65/570087665.db2.gz NOWZMZMHTQOVCS-LCYFTJDESA-N 0 1 495.746 5.877 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408966973 570087760 /nfs/dbraw/zinc/08/77/60/570087760.db2.gz OMFJDRZDWPBBET-HZHRSRAPSA-N 0 1 457.599 5.105 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408967395 570087974 /nfs/dbraw/zinc/08/79/74/570087974.db2.gz QJNOESOAZHYDMM-HZHRSRAPSA-N 0 1 457.599 5.105 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c(C)c1 ZINC000408986598 570092511 /nfs/dbraw/zinc/09/25/11/570092511.db2.gz QZVRNOHPTWBNLR-LDADJPATSA-N 0 1 464.631 5.435 40 10 JKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000409002290 570096636 /nfs/dbraw/zinc/09/66/36/570096636.db2.gz ZOAVUAMPNMPLAB-MFKUBSTISA-N 0 1 479.605 5.446 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c1 ZINC000409010781 570099497 /nfs/dbraw/zinc/09/94/97/570099497.db2.gz LGSJOMPIAOSZFL-XDHOZWIPSA-N 0 1 485.055 6.001 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000409014846 570100839 /nfs/dbraw/zinc/10/08/39/570100839.db2.gz QIIKFMNQSAFKRD-GFQQVXNGSA-N 0 1 493.810 5.111 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409016579 570101308 /nfs/dbraw/zinc/10/13/08/570101308.db2.gz DRSUAPOJGUFWCI-JAIQZWGSSA-N 0 1 498.435 5.849 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409017429 570101851 /nfs/dbraw/zinc/10/18/51/570101851.db2.gz WOYWHQRZPNQPNE-OEAKJJBVSA-N 0 1 457.599 5.159 40 10 JKCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409019039 570102443 /nfs/dbraw/zinc/10/24/43/570102443.db2.gz XVQJYOVFSNVOSY-FSTGKYBXSA-N 0 1 458.583 5.465 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409022816 570103478 /nfs/dbraw/zinc/10/34/78/570103478.db2.gz GEMCSDBRJYECGT-OEAKJJBVSA-N 0 1 469.541 5.218 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409023868 570103859 /nfs/dbraw/zinc/10/38/59/570103859.db2.gz LGTMGFJWXNOSRT-NVMNQCDNSA-N 0 1 488.371 5.371 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1C ZINC000409067764 570117151 /nfs/dbraw/zinc/11/71/51/570117151.db2.gz PUNJXBYXHVXNQB-HYARGMPZSA-N 0 1 479.026 5.939 40 10 JKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409073842 570119335 /nfs/dbraw/zinc/11/93/35/570119335.db2.gz NSLGEBAVWJSTEI-GZTJUZNOSA-N 0 1 470.381 5.232 40 10 JKCBMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088589 570124059 /nfs/dbraw/zinc/12/40/59/570124059.db2.gz GINWNAKQBLMEIK-PDGQHHTCSA-N 0 1 498.174 5.752 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1C ZINC000409093643 570125732 /nfs/dbraw/zinc/12/57/32/570125732.db2.gz AXMVDTYMUIPLNT-KGENOOAVSA-N 0 1 479.026 5.939 40 10 JKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000409094779 570126170 /nfs/dbraw/zinc/12/61/70/570126170.db2.gz GDVOZTMIZMMVOQ-LFIBNONCSA-N 0 1 457.338 5.393 40 10 JKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S ZINC000409098652 570127634 /nfs/dbraw/zinc/12/76/34/570127634.db2.gz QZZOVCXNMSXPQF-SFQUDFHCSA-N 0 1 489.906 5.289 40 10 JKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S ZINC000409098886 570127781 /nfs/dbraw/zinc/12/77/81/570127781.db2.gz MNDCRRIXBFXJAG-JXAWBTAJSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000409099639 570127856 /nfs/dbraw/zinc/12/78/56/570127856.db2.gz SMZLXRRLGCKDIT-XNTDXEJSSA-N 0 1 491.783 6.047 40 10 JKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409126003 570137981 /nfs/dbraw/zinc/13/79/81/570137981.db2.gz KYHIHONXOWPQPV-QAEAHILHSA-N 0 1 487.419 5.075 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1C ZINC000409126671 570138339 /nfs/dbraw/zinc/13/83/39/570138339.db2.gz MKEDCFIRFZXFQS-WJDWOHSUSA-N 0 1 471.365 5.702 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c1C ZINC000409127343 570138570 /nfs/dbraw/zinc/13/85/70/570138570.db2.gz CKGXEEPCEJIHAC-HYARGMPZSA-N 0 1 483.568 5.277 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1C ZINC000409132839 570140828 /nfs/dbraw/zinc/14/08/28/570140828.db2.gz LEZPIMSCTRZBKI-GZTJUZNOSA-N 0 1 471.365 5.702 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000409132901 570140911 /nfs/dbraw/zinc/14/09/11/570140911.db2.gz KVSLKVLWNCADFW-MPMPPSQCSA-N 0 1 487.419 5.075 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409136785 570142626 /nfs/dbraw/zinc/14/26/26/570142626.db2.gz ZMWQWWPIEXMIPK-BUVRLJJBSA-N 0 1 471.626 5.666 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409139788 570144036 /nfs/dbraw/zinc/14/40/36/570144036.db2.gz BZYFQMAMPCHKSJ-KOEQRZSOSA-N 0 1 485.653 5.885 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1Cl ZINC000409141267 570144721 /nfs/dbraw/zinc/14/47/21/570144721.db2.gz HLIIRVAZCSTHNH-CPNJWEJPSA-N 0 1 463.990 5.196 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409146796 570147422 /nfs/dbraw/zinc/14/74/22/570147422.db2.gz KUJAIEJNTATZAC-OEAKJJBVSA-N 0 1 457.599 5.159 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409149506 570148635 /nfs/dbraw/zinc/14/86/35/570148635.db2.gz 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Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1Cl ZINC000409231177 570177788 /nfs/dbraw/zinc/17/77/88/570177788.db2.gz ICZHWGZUGIXDSV-WOJGMQOQSA-N 0 1 489.906 5.289 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409232107 570178155 /nfs/dbraw/zinc/17/81/55/570178155.db2.gz NBYNGLBNFCFSJR-BUVRLJJBSA-N 0 1 471.626 5.666 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409233407 570178660 /nfs/dbraw/zinc/17/86/60/570178660.db2.gz RYLSRANSZCMUSL-CIAFOILYSA-N 0 1 496.007 5.841 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409233388 570178695 /nfs/dbraw/zinc/17/86/95/570178695.db2.gz VQKLAUYSGPWUGS-RCCKNPSSSA-N 0 1 485.996 5.732 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1 ZINC000409235542 570179529 /nfs/dbraw/zinc/17/95/29/570179529.db2.gz BYXSWAFQYMLKLN-WJDWOHSUSA-N 0 1 471.365 5.702 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 ZINC000409236583 570180038 /nfs/dbraw/zinc/18/00/38/570180038.db2.gz SZMZKHATQCKDHB-HZHRSRAPSA-N 0 1 458.608 5.594 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409236727 570180131 /nfs/dbraw/zinc/18/01/31/570180131.db2.gz GXJXENKCRCDWKX-CIAFOILYSA-N 0 1 478.017 5.504 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409237313 570180201 /nfs/dbraw/zinc/18/02/01/570180201.db2.gz HYUTYJVNZYTABF-MHWRWJLKSA-N 0 1 488.371 5.371 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409239712 570181369 /nfs/dbraw/zinc/18/13/69/570181369.db2.gz DHMWHOKEABUSAZ-RVDMUPIBSA-N 0 1 491.446 6.037 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409239751 570181432 /nfs/dbraw/zinc/18/14/32/570181432.db2.gz QBQFRWFLXJUUJM-LFVJCYFKSA-N 0 1 479.605 5.695 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409240620 570181768 /nfs/dbraw/zinc/18/17/68/570181768.db2.gz LNCMHNSUUUFIOA-WSDLNYQXSA-N 0 1 478.017 5.504 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409241113 570181980 /nfs/dbraw/zinc/18/19/80/570181980.db2.gz RIXCUMNEFHTIDD-FYJGNVAPSA-N 0 1 478.017 5.450 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409241090 570181982 /nfs/dbraw/zinc/18/19/82/570181982.db2.gz RAFKNDGFMFTGFB-CIAFOILYSA-N 0 1 483.515 5.253 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409241277 570181996 /nfs/dbraw/zinc/18/19/96/570181996.db2.gz SRHBXMKCXUOGKI-CIAFOILYSA-N 0 1 478.017 5.504 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S ZINC000409241115 570182012 /nfs/dbraw/zinc/18/20/12/570182012.db2.gz RJHQSHCRDAFLEU-SFQUDFHCSA-N 0 1 471.028 5.692 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1 ZINC000409241093 570182016 /nfs/dbraw/zinc/18/20/16/570182016.db2.gz RAWRPYVJTURVCN-DEDYPNTBSA-N 0 1 478.658 5.942 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000409242080 570182396 /nfs/dbraw/zinc/18/23/96/570182396.db2.gz UKPJQBMSXPTUJT-PDGQHHTCSA-N 0 1 495.944 5.463 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409243277 570182832 /nfs/dbraw/zinc/18/28/32/570182832.db2.gz RMSBHUOWOMFPGZ-BKUYFWCQSA-N 0 1 463.990 5.196 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409244807 570183604 /nfs/dbraw/zinc/18/36/04/570183604.db2.gz JAVHVGCRQKUEFO-DEDYPNTBSA-N 0 1 450.947 5.555 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S ZINC000409245690 570184100 /nfs/dbraw/zinc/18/41/00/570184100.db2.gz XOXWHFXXARWXHY-QGOAFFKASA-N 0 1 495.398 5.411 40 10 JKCBMN 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Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1Cl ZINC000409240645 570181758 /nfs/dbraw/zinc/18/17/58/570181758.db2.gz QVCJUEVIHUEJBA-WOJGMQOQSA-N 0 1 471.365 5.702 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000409240647 570181789 /nfs/dbraw/zinc/18/17/89/570181789.db2.gz LQBWBEMAQWCGFJ-PTNGSMBKSA-N 0 1 457.338 5.393 40 10 JKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)c(Br)c1 ZINC000409241370 570182092 /nfs/dbraw/zinc/18/20/92/570182092.db2.gz RYKSKRYVUVVTNF-SFQUDFHCSA-N 0 1 481.371 5.157 40 10 JKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409242398 570182491 /nfs/dbraw/zinc/18/24/91/570182491.db2.gz UPXJTPCWIKWKPP-WOJGMQOQSA-N 0 1 489.906 5.289 40 10 JKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1 ZINC000409242478 570182553 /nfs/dbraw/zinc/18/25/53/570182553.db2.gz NWPMUNWXSUVJFL-DEDYPNTBSA-N 0 1 484.524 5.688 40 10 JKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000409242695 570182630 /nfs/dbraw/zinc/18/26/30/570182630.db2.gz SJPFZQDVQMXVEX-FYJGNVAPSA-N 0 1 463.990 5.394 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409242911 570182717 /nfs/dbraw/zinc/18/27/17/570182717.db2.gz PRIBSOSGJCHLCA-PCLIKHOPSA-N 0 1 471.626 5.611 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409243120 570182852 /nfs/dbraw/zinc/18/28/52/570182852.db2.gz VQZCGRZBDPTEBL-DEDYPNTBSA-N 0 1 463.990 5.196 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409244069 570183375 /nfs/dbraw/zinc/18/33/75/570183375.db2.gz WZWRADMMJVGLNM-YZSQISJMSA-N 0 1 493.632 6.202 40 10 JKCBMN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409244554 570183445 /nfs/dbraw/zinc/18/34/45/570183445.db2.gz FKNVCQHABLJOAQ-WOJGMQOQSA-N 0 1 490.890 5.759 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409245433 570183925 /nfs/dbraw/zinc/18/39/25/570183925.db2.gz SWIRQVCENRZJIP-OEAKJJBVSA-N 0 1 457.599 5.159 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409246218 570184264 /nfs/dbraw/zinc/18/42/64/570184264.db2.gz GMLBFLALEUWZDG-WSDLNYQXSA-N 0 1 478.017 5.504 40 10 JKCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(C)C ZINC000409246609 570184416 /nfs/dbraw/zinc/18/44/16/570184416.db2.gz JMRIHXMYQXLYDC-YBFXNURJSA-N 0 1 456.995 5.310 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409247162 570184701 /nfs/dbraw/zinc/18/47/01/570184701.db2.gz CFOHWQRSPANVAB-XMHGGMMESA-N 0 1 463.990 5.141 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000409248165 570184928 /nfs/dbraw/zinc/18/49/28/570184928.db2.gz GNETUJFSJULQMD-KGENOOAVSA-N 0 1 461.562 5.188 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409248853 570185210 /nfs/dbraw/zinc/18/52/10/570185210.db2.gz RRKCTESFXNXFKE-QGOAFFKASA-N 0 1 485.417 5.976 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1 ZINC000409249285 570185351 /nfs/dbraw/zinc/18/53/51/570185351.db2.gz NCVFXLCNQOJPPE-DEDYPNTBSA-N 0 1 495.398 5.664 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409253545 570186550 /nfs/dbraw/zinc/18/65/50/570186550.db2.gz ZNPZYCKFKMSILT-KGENOOAVSA-N 0 1 485.996 5.483 40 10 JKCBMN CC(C)(C)c1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(C(C)(C)C)c1O ZINC000408528723 570186854 /nfs/dbraw/zinc/18/68/54/570186854.db2.gz GYXXPADEEIZKLP-ATVHPVEESA-N 0 1 474.673 5.595 40 10 JKCBMN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408531928 570188207 /nfs/dbraw/zinc/18/82/07/570188207.db2.gz PEGSEAGCHJQTHC-XFFZJAGNSA-N 0 1 494.003 6.781 40 10 JKCBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534802 570189640 /nfs/dbraw/zinc/18/96/40/570189640.db2.gz RFWHKOMFHOWPKJ-ZROIWOOFSA-N 0 1 483.591 5.892 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534802 570189641 /nfs/dbraw/zinc/18/96/41/570189641.db2.gz RFWHKOMFHOWPKJ-ZROIWOOFSA-N 0 1 483.591 5.892 40 10 JKCBMN CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408540475 570191318 /nfs/dbraw/zinc/19/13/18/570191318.db2.gz SGIIAOPZHXADTQ-CYVLTUHYSA-N 0 1 487.419 5.240 40 10 JKCBMN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000409330056 570203727 /nfs/dbraw/zinc/20/37/27/570203727.db2.gz KCANLRWEYGOVGM-NSIKDUERSA-N 0 1 457.316 5.022 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c1 ZINC000058849349 195384254 /nfs/dbraw/zinc/38/42/54/195384254.db2.gz NRKZNPGDTLNNCU-OREGWCPLSA-N 0 1 476.598 5.640 40 10 JKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058849624 195384586 /nfs/dbraw/zinc/38/45/86/195384586.db2.gz JTRVOMVKRXIARR-ATLLOTDBSA-N 0 1 484.980 6.115 40 10 JKCBMN CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4CC)c3C)C(=O)NC2=S)c1 ZINC000059104680 195387905 /nfs/dbraw/zinc/38/79/05/195387905.db2.gz JYSSJGVRUGACNT-BUVRLJJBSA-N 0 1 487.625 6.035 40 10 JKCBMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000059104822 195388232 /nfs/dbraw/zinc/38/82/32/195388232.db2.gz UYKOYJVWMHFLIR-FOWTUZBSSA-N 0 1 472.353 5.464 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1N1CCCC1 ZINC000059104759 195388263 /nfs/dbraw/zinc/38/82/63/195388263.db2.gz WVTAESUHXWSBRC-AQTBWJFISA-N 0 1 470.392 5.029 40 10 JKCBMN CN(C)c1oc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000059104932 195388364 /nfs/dbraw/zinc/38/83/64/195388364.db2.gz LPKVDRFXXLEYSD-RMKNXTFCSA-N 0 1 489.178 5.087 40 10 JKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000059135368 195389898 /nfs/dbraw/zinc/38/98/98/195389898.db2.gz XEGJILCQALQIIQ-LFVJCYFKSA-N 0 1 474.536 5.586 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000059135836 195390563 /nfs/dbraw/zinc/39/05/63/195390563.db2.gz QNMBRQGLIALCNB-GXDHUFHOSA-N 0 1 461.301 6.064 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000059135906 195390593 /nfs/dbraw/zinc/39/05/93/195390593.db2.gz XIWQDLPAKGCVFK-CPNJWEJPSA-N 0 1 450.466 5.215 40 10 JKCBMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000059135875 195390651 /nfs/dbraw/zinc/39/06/51/195390651.db2.gz RPSXEAFJSBFFSU-XSFVSMFZSA-N 0 1 491.544 5.082 40 10 JKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F ZINC000059135915 195390672 /nfs/dbraw/zinc/39/06/72/195390672.db2.gz ZHFOLZJVEXOUGW-SFQUDFHCSA-N 0 1 480.492 5.224 40 10 JKCBMN CC(C)(C)c1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(C(C)(C)C)c1O ZINC000059136247 195391299 /nfs/dbraw/zinc/39/12/99/195391299.db2.gz LQHYRRPSROLDNT-RVDMUPIBSA-N 0 1 454.567 5.798 40 10 JKCBMN Cc1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000059136277 195391433 /nfs/dbraw/zinc/39/14/33/195391433.db2.gz ZRXUBPIKESXUDR-LFIBNONCSA-N 0 1 465.462 5.282 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 ZINC000059136422 195391789 /nfs/dbraw/zinc/39/17/89/195391789.db2.gz BXDUERLPOGYLNQ-QGOAFFKASA-N 0 1 450.466 5.215 40 10 JKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000059137817 195392103 /nfs/dbraw/zinc/39/21/03/195392103.db2.gz RVWWEGJWNRIUCG-LDADJPATSA-N 0 1 499.411 6.173 40 10 JKCBMN Cc1ccc2[nH]c(Sc3ccc(C=C4C(=O)NC(=S)N(c5ccccc5F)C4=O)o3)nc2c1 ZINC000059139120 195392403 /nfs/dbraw/zinc/39/24/03/195392403.db2.gz DBOSFCZEAUIPSI-SDNWHVSQSA-N 0 1 478.530 5.426 40 10 JKCBMN Cc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)N(c5ccccc5F)C4=O)o3)[nH]c2c1 ZINC000059139120 195392405 /nfs/dbraw/zinc/39/24/05/195392405.db2.gz DBOSFCZEAUIPSI-SDNWHVSQSA-N 0 1 478.530 5.426 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000059198522 195394809 /nfs/dbraw/zinc/39/48/09/195394809.db2.gz FFWZOPYHIHVXDG-GZTJUZNOSA-N 0 1 487.762 6.034 40 10 JKCBMN CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)c1 ZINC000016693217 521381884 /nfs/dbraw/zinc/38/18/84/521381884.db2.gz BLNPHVRFWYOOOQ-HZHRSRAPSA-N 0 1 458.539 5.336 40 10 JKCBMN COc1ccccc1N1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000016228469 524533134 /nfs/dbraw/zinc/53/31/34/524533134.db2.gz AIGZGLDROBKEKV-RCCKNPSSSA-N 0 1 467.550 5.370 40 10 JKCBMN Cc1cccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000034876731 524751174 /nfs/dbraw/zinc/75/11/74/524751174.db2.gz IDRVHUZREWBFOR-HZHRSRAPSA-N 0 1 469.497 5.124 40 10 JKCBMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O ZINC000041108832 526096008 /nfs/dbraw/zinc/09/60/08/526096008.db2.gz SINKRGIKLUMPMY-GJQHCVRFSA-N 0 1 496.954 6.256 40 10 JKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000016488285 527083033 /nfs/dbraw/zinc/08/30/33/527083033.db2.gz JJDCBRHZQBCPCB-CIAFOILYSA-N 0 1 462.336 5.458 40 10 JKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002391610 554179617 /nfs/dbraw/zinc/17/96/17/554179617.db2.gz QQOOOJBVAOBYQN-MFKUBSTISA-N 0 1 475.504 5.938 40 10 JKCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000013750273 555608724 /nfs/dbraw/zinc/60/87/24/555608724.db2.gz KRJYEFZBUAXKED-VJBWXMMDSA-N 0 1 482.367 5.111 40 10 JKCBMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000010112133 555624596 /nfs/dbraw/zinc/62/45/96/555624596.db2.gz DEIJMLPKBOCELL-UHFFFAOYSA-N 0 1 498.048 5.370 40 10 JKCBMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c1 ZINC000010112174 555625065 /nfs/dbraw/zinc/62/50/65/555625065.db2.gz FPMAZMZDMIUMAZ-UHFFFAOYSA-N 0 1 498.048 5.288 40 10 JKCBMN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000020286516 555755149 /nfs/dbraw/zinc/75/51/49/555755149.db2.gz WSELNBIEQYWFGS-JLPGSUDCSA-N 0 1 495.633 6.990 40 10 JKCBMN 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479.605 5.446 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409023505 570103691 /nfs/dbraw/zinc/10/36/91/570103691.db2.gz GARYPGILOKWQTN-QQXSKIMKSA-N 0 1 495.579 5.732 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409064349 570115799 /nfs/dbraw/zinc/11/57/99/570115799.db2.gz DCJOYUMNMODFCJ-PXLXIMEGSA-N 0 1 479.026 5.885 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409092150 570125114 /nfs/dbraw/zinc/12/51/14/570125114.db2.gz VSDIBTBSWMKYIE-KGENOOAVSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1 ZINC000409105131 570129939 /nfs/dbraw/zinc/12/99/39/570129939.db2.gz JGNPZRGZIZPGFL-KGENOOAVSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409118262 570134823 /nfs/dbraw/zinc/13/48/23/570134823.db2.gz PKMRYKKNUHBOTH-FYJGNVAPSA-N 0 1 492.044 5.813 40 10 JKCBMN 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Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409149010 570148359 /nfs/dbraw/zinc/14/83/59/570148359.db2.gz VTVBIBMTCMDNJV-OEAKJJBVSA-N 0 1 471.626 5.468 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1 ZINC000260564925 570154176 /nfs/dbraw/zinc/15/41/76/570154176.db2.gz FVLSUDJZUTZVSJ-LSCMLXDISA-N 0 1 489.685 5.944 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 ZINC000260567982 570154303 /nfs/dbraw/zinc/15/43/03/570154303.db2.gz NACNSQUFYIWEGX-MMTNMYCKSA-N 0 1 475.658 5.501 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C ZINC000260572435 570154490 /nfs/dbraw/zinc/15/44/90/570154490.db2.gz VJHBIABUFNBFJW-MBTVCVBTSA-N 0 1 482.049 5.510 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C(=O)NC1=S ZINC000260572544 570154610 /nfs/dbraw/zinc/15/46/10/570154610.db2.gz WTQXUBWEZCIVJQ-GNFOSXPUSA-N 0 1 475.658 5.501 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000409171787 570155185 /nfs/dbraw/zinc/15/51/85/570155185.db2.gz AMHDCDYFOOJKJA-HAVVHWLPSA-N 0 1 487.625 5.277 40 10 JKCBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S ZINC000409175567 570156754 /nfs/dbraw/zinc/15/67/54/570156754.db2.gz ZTTDKYDZYLEHBK-KAMYIIQDSA-N 0 1 473.337 5.093 40 10 JKCBMN CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409196717 570163813 /nfs/dbraw/zinc/16/38/13/570163813.db2.gz WJHLCMQOZQFVAR-BWAHOGKJSA-N 0 1 499.611 5.422 40 10 JKCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409220677 570174125 /nfs/dbraw/zinc/17/41/25/570174125.db2.gz DEMHMFCEVRDEOL-HBBMIWKISA-N 0 1 498.526 5.867 40 10 JKCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409220678 570174140 /nfs/dbraw/zinc/17/41/40/570174140.db2.gz DEMHMFCEVRDEOL-HFITWMCCSA-N 0 1 498.526 5.867 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Sc1ccccc1 ZINC000409220603 570174157 /nfs/dbraw/zinc/17/41/57/570174157.db2.gz CACZBSIRTFHRLJ-VKAVYKQESA-N 0 1 450.972 5.323 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409220540 570174191 /nfs/dbraw/zinc/17/41/91/570174191.db2.gz BFZDCKCFJYYSSU-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409220601 570174199 /nfs/dbraw/zinc/17/41/99/570174199.db2.gz BZPJRZKGJUQCJO-BUVRLJJBSA-N 0 1 471.626 5.666 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C1CCCCC1 ZINC000409220922 570174337 /nfs/dbraw/zinc/17/43/37/570174337.db2.gz HUHQKYQMQXDJCL-UDWIEESQSA-N 0 1 456.011 5.403 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000409226426 570176068 /nfs/dbraw/zinc/17/60/68/570176068.db2.gz NUNLRLOSLYMVEF-LGMDPLHJSA-N 0 1 485.417 5.976 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c1 ZINC000409226378 570176085 /nfs/dbraw/zinc/17/60/85/570176085.db2.gz NEZZMUGDAZBODU-LDADJPATSA-N 0 1 485.055 6.001 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1C ZINC000409228113 570176603 /nfs/dbraw/zinc/17/66/03/570176603.db2.gz UGANQIKMMHDLPO-HZHRSRAPSA-N 0 1 457.599 5.357 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409229368 570177134 /nfs/dbraw/zinc/17/71/34/570177134.db2.gz OALWJKLBVYMRQQ-SFQUDFHCSA-N 0 1 484.408 5.541 40 10 JKCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1 ZINC000409230137 570177441 /nfs/dbraw/zinc/17/74/41/570177441.db2.gz BVEXTVLDMBQVSD-PXLXIMEGSA-N 0 1 488.565 5.078 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=S ZINC000409230637 570177641 /nfs/dbraw/zinc/17/76/41/570177641.db2.gz DRCWAJRXKWFOHT-SFQUDFHCSA-N 0 1 450.604 5.127 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000409233909 570178935 /nfs/dbraw/zinc/17/89/35/570178935.db2.gz IMFBZGGANQRQCE-DEDYPNTBSA-N 0 1 450.947 5.555 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409233946 570178948 /nfs/dbraw/zinc/17/89/48/570178948.db2.gz ITAPNEUGKUDPTG-CPNJWEJPSA-N 0 1 463.990 5.196 40 10 JKCBMN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409235088 570179424 /nfs/dbraw/zinc/17/94/24/570179424.db2.gz AWQDBNHQXYIBCQ-FYJGNVAPSA-N 0 1 464.974 5.863 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409235394 570179538 /nfs/dbraw/zinc/17/95/38/570179538.db2.gz PBVCEHLEQCMOJI-KGENOOAVSA-N 0 1 478.017 5.702 40 10 JKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c3ccccc32)cc1 ZINC000409236356 570179909 /nfs/dbraw/zinc/17/99/09/570179909.db2.gz FESGZRKNUSYJAR-HZHRSRAPSA-N 0 1 465.578 5.138 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000409236882 570180142 /nfs/dbraw/zinc/18/01/42/570180142.db2.gz GNUIDAGKKRJIMS-CIAFOILYSA-N 0 1 463.990 5.196 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409237368 570180338 /nfs/dbraw/zinc/18/03/38/570180338.db2.gz UBALHBUSQMQPMI-PTNGSMBKSA-N 0 1 487.762 5.194 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1Cl ZINC000409237396 570180378 /nfs/dbraw/zinc/18/03/78/570180378.db2.gz UGNIDHHJWVSELR-UYRXBGFRSA-N 0 1 464.999 5.631 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409237482 570180387 /nfs/dbraw/zinc/18/03/87/570180387.db2.gz IXONLBKIQUPZEX-LFVJCYFKSA-N 0 1 485.653 5.840 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409238066 570180618 /nfs/dbraw/zinc/18/06/18/570180618.db2.gz YYGUPPDUUQZHLD-FYJGNVAPSA-N 0 1 497.542 5.507 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409237908 570180662 /nfs/dbraw/zinc/18/06/62/570180662.db2.gz KHRIHGWHBMRMNO-CIAFOILYSA-N 0 1 497.542 5.561 40 10 JKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)cc1 ZINC000409238479 570180906 /nfs/dbraw/zinc/18/09/06/570180906.db2.gz DNVJYGCQGVVKDL-WGOQTCKBSA-N 0 1 493.632 5.953 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409239273 570181124 /nfs/dbraw/zinc/18/11/24/570181124.db2.gz CVJPRSVEOIPADL-HYARGMPZSA-N 0 1 457.599 5.159 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409239623 570181313 /nfs/dbraw/zinc/18/13/13/570181313.db2.gz HSJOJLJGLZXQMN-CIAFOILYSA-N 0 1 497.542 5.561 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000409240758 570181716 /nfs/dbraw/zinc/18/17/16/570181716.db2.gz VFTFVLBQTPIYJG-LFIBNONCSA-N 0 1 457.338 5.393 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409240999 570181860 /nfs/dbraw/zinc/18/18/60/570181860.db2.gz WCEASCJJRGUYRO-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000409241087 570181993 /nfs/dbraw/zinc/18/19/93/570181993.db2.gz XARIGWGMLAGXSL-KGENOOAVSA-N 0 1 494.414 5.195 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409242053 570182405 /nfs/dbraw/zinc/18/24/05/570182405.db2.gz PYPQILMDVFXBQL-CIAFOILYSA-N 0 1 478.017 5.504 40 10 JKCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C(C)C ZINC000409243000 570182710 /nfs/dbraw/zinc/18/27/10/570182710.db2.gz UDZIPYHREYFWAX-YBFXNURJSA-N 0 1 476.520 5.367 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1C ZINC000409243439 570182957 /nfs/dbraw/zinc/18/29/57/570182957.db2.gz WKBPALVWBGFVRH-HAHDFKILSA-N 0 1 483.568 5.277 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409243913 570183240 /nfs/dbraw/zinc/18/32/40/570183240.db2.gz YXIDHSMENRSULW-CIAFOILYSA-N 0 1 463.990 5.196 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409244375 570183459 /nfs/dbraw/zinc/18/34/59/570183459.db2.gz BPTVIHNLNNSHDM-RGZVIEDOSA-N 0 1 482.911 5.367 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000409244434 570183476 /nfs/dbraw/zinc/18/34/76/570183476.db2.gz CQJYMXHNMGUJDY-PXLXIMEGSA-N 0 1 458.608 5.594 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409245165 570183787 /nfs/dbraw/zinc/18/37/87/570183787.db2.gz OHTBYMLNDWOWCV-JJIBRWJFSA-N 0 1 469.610 5.395 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 ZINC000409245797 570184057 /nfs/dbraw/zinc/18/40/57/570184057.db2.gz ZEYRAZAEAAUBOD-LDADJPATSA-N 0 1 468.987 5.532 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409246419 570184269 /nfs/dbraw/zinc/18/42/69/570184269.db2.gz ICWMGUDVQBZBMX-HYARGMPZSA-N 0 1 457.599 5.159 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409247292 570184665 /nfs/dbraw/zinc/18/46/65/570184665.db2.gz MCPYKDQDDSVVNY-OEAKJJBVSA-N 0 1 483.568 5.277 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000409250864 570185733 /nfs/dbraw/zinc/18/57/33/570185733.db2.gz YOQMCXDLNXGZSD-XDHOZWIPSA-N 0 1 495.944 5.463 40 10 JKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409250793 570185752 /nfs/dbraw/zinc/18/57/52/570185752.db2.gz NZBFLQTVFBGBLZ-XSFVSMFZSA-N 0 1 478.017 5.450 40 10 JKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408526180 570185861 /nfs/dbraw/zinc/18/58/61/570185861.db2.gz AETJMSAUHDACMR-ZROIWOOFSA-N 0 1 463.719 5.346 40 10 JKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409253484 570186307 /nfs/dbraw/zinc/18/63/07/570186307.db2.gz VBAKTJYYLVQWIX-JJIBRWJFSA-N 0 1 471.626 5.576 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1F ZINC000409253313 570186419 /nfs/dbraw/zinc/18/64/19/570186419.db2.gz TYEPNYIPXOJKNH-WOJGMQOQSA-N 0 1 467.953 5.026 40 10 JKCBMN Cc1ccccc1Oc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408552836 570195626 /nfs/dbraw/zinc/19/56/26/570195626.db2.gz WAITTWJHNWDGKM-AQTBWJFISA-N 0 1 481.936 5.324 40 10 JKCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S)c1cccs1 ZINC000409328489 570202987 /nfs/dbraw/zinc/20/29/87/570202987.db2.gz WGHXVBSAUCYRAS-XDHOZWIPSA-N 0 1 470.572 5.012 40 10 JKCBMN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1O ZINC000409329719 570203602 /nfs/dbraw/zinc/20/36/02/570203602.db2.gz HKECHJAOVREIQH-XDHOZWIPSA-N 0 1 452.513 5.258 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000004087099 194376519 /nfs/dbraw/zinc/37/65/19/194376519.db2.gz HQFCJMVNIKUMNQ-PCLIKHOPSA-N 0 1 471.557 5.397 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 ZINC000058849355 195384261 /nfs/dbraw/zinc/38/42/61/195384261.db2.gz OQLAZNPTYYJJFN-OREGWCPLSA-N 0 1 476.598 5.640 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000058849364 195384313 /nfs/dbraw/zinc/38/43/13/195384313.db2.gz CDVNZISIYHFEIT-ANSQWYIGSA-N 0 1 480.561 5.470 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1 ZINC000058849380 195384448 /nfs/dbraw/zinc/38/44/48/195384448.db2.gz DKPBDVMPNWPPLL-LZCXECNNSA-N 0 1 497.016 5.985 40 10 JKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c1 ZINC000058849390 195384454 /nfs/dbraw/zinc/38/44/54/195384454.db2.gz KRZHFCGHITZVGB-VKIDHGPPSA-N 0 1 492.597 5.340 40 10 JKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058849600 195384838 /nfs/dbraw/zinc/38/48/38/195384838.db2.gz YHSUTNJHVWYINF-WZOHSFFVSA-N 0 1 466.990 5.976 40 10 JKCBMN Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(Br)o3)C(=O)NC2=S)c1C ZINC000059105261 195388590 /nfs/dbraw/zinc/38/85/90/195388590.db2.gz DREAKYDWVGATCA-IZZDOVSWSA-N 0 1 484.169 5.093 40 10 JKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000059109554 195389313 /nfs/dbraw/zinc/38/93/13/195389313.db2.gz SRWMBLVMPCIWCV-HKOYGPOVSA-N 0 1 471.557 5.745 40 10 JKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 ZINC000059135908 195390530 /nfs/dbraw/zinc/39/05/30/195390530.db2.gz MXDGEYZVUFHVOL-LDADJPATSA-N 0 1 480.492 5.224 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000059135743 195390539 /nfs/dbraw/zinc/39/05/39/195390539.db2.gz CUZRSZQZBZQHCS-YBEGLDIGSA-N 0 1 488.371 6.212 40 10 JKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000059135722 195390608 /nfs/dbraw/zinc/39/06/08/195390608.db2.gz JZSHKOUBOMYAIF-QGOAFFKASA-N 0 1 462.502 5.085 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059135885 195390620 /nfs/dbraw/zinc/39/06/20/195390620.db2.gz RKKLTIXGYCNWRP-CPNJWEJPSA-N 0 1 494.519 5.614 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000059135753 195390647 /nfs/dbraw/zinc/39/06/47/195390647.db2.gz DWQDJLIPPHHUBL-RAXLEYEMSA-N 0 1 471.853 5.319 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000059135811 195390666 /nfs/dbraw/zinc/39/06/66/195390666.db2.gz IGDXPVKQADBYQE-XMHGGMMESA-N 0 1 476.529 5.475 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000059135746 195390706 /nfs/dbraw/zinc/39/07/06/195390706.db2.gz CPDWBVHRPGMMGI-PTNGSMBKSA-N 0 1 471.307 5.520 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000059135941 195391087 /nfs/dbraw/zinc/39/10/87/195391087.db2.gz RCQZNFZFIRRBSP-WOJGMQOQSA-N 0 1 453.926 5.558 40 10 JKCBMN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 ZINC000059136225 195391402 /nfs/dbraw/zinc/39/14/02/195391402.db2.gz XZTJOQGLMHBLFC-XSFVSMFZSA-N 0 1 491.544 5.082 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC ZINC000059136306 195391426 /nfs/dbraw/zinc/39/14/26/195391426.db2.gz CLQCQYRTOBMTRB-UKTHLTGXSA-N 0 1 493.354 5.057 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 ZINC000059136159 195391446 /nfs/dbraw/zinc/39/14/46/195391446.db2.gz GHIVSHGDQSLLQE-XSFVSMFZSA-N 0 1 490.556 5.783 40 10 JKCBMN Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000059136265 195391476 /nfs/dbraw/zinc/39/14/76/195391476.db2.gz URYGWOUWRDUWEW-XSFVSMFZSA-N 0 1 487.531 5.948 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137199 195391835 /nfs/dbraw/zinc/39/18/35/195391835.db2.gz CQVWMGODNDXDIV-GZTJUZNOSA-N 0 1 488.371 6.212 40 10 JKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000059137959 195392041 /nfs/dbraw/zinc/39/20/41/195392041.db2.gz KCLRSVDYZJIQOC-LFIBNONCSA-N 0 1 489.405 6.718 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000059198494 195394801 /nfs/dbraw/zinc/39/48/01/195394801.db2.gz CINHNFCOYVHCBA-KGENOOAVSA-N 0 1 493.382 5.700 40 10 JKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000059198523 195394837 /nfs/dbraw/zinc/39/48/37/195394837.db2.gz KSMKVHQLXHJFII-GZTJUZNOSA-N 0 1 487.762 6.034 40 10 JKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000033409369 520628833 /nfs/dbraw/zinc/62/88/33/520628833.db2.gz RHSBWFIOVDVUFZ-QNGOZBTKSA-N 0 1 458.539 5.336 40 10 JKCBMN COc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])c1 ZINC000016215679 523127263 /nfs/dbraw/zinc/12/72/63/523127263.db2.gz COHAACWPCHVLSX-DEDYPNTBSA-N 0 1 499.504 5.688 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000016268433 526085799 /nfs/dbraw/zinc/08/57/99/526085799.db2.gz DROQTAUFZYBKRQ-GZTJUZNOSA-N 0 1 486.380 5.778 40 10 JKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033561625 526085923 /nfs/dbraw/zinc/08/59/23/526085923.db2.gz GFIFYZFJARVWAP-LDADJPATSA-N 0 1 453.926 5.558 40 10 JKCBMN Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 ZINC000013597352 526097526 /nfs/dbraw/zinc/09/75/26/526097526.db2.gz UUWOOGAKBOGZIN-QAVVBOBSSA-N 0 1 454.490 6.487 40 10 JKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000022522477 526798810 /nfs/dbraw/zinc/79/88/10/526798810.db2.gz LEHYNTJDLUXRHO-UHFFFAOYSA-N 0 1 463.942 6.164 40 10 JKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001105139 553908496 /nfs/dbraw/zinc/90/84/96/553908496.db2.gz AZMQGIPGQHEJSS-XYGWBWBKSA-N 0 1 463.537 5.247 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000008843207 554740586 /nfs/dbraw/zinc/74/05/86/554740586.db2.gz LYNNIYXJKLPMDJ-MOSHPQCFSA-N 0 1 486.435 5.204 40 10 JKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1 ZINC000009260411 555034728 /nfs/dbraw/zinc/03/47/28/555034728.db2.gz FXWHBXDLUXCZHK-PDGQHHTCSA-N 0 1 487.364 5.483 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000009264713 555039854 /nfs/dbraw/zinc/03/98/54/555039854.db2.gz OSMCVHAXQFEUDY-UCQKPKSFSA-N 0 1 483.568 5.277 40 10 JKCBMN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000010112132 555624652 /nfs/dbraw/zinc/62/46/52/555624652.db2.gz AWJZEJWVYODJCE-UHFFFAOYSA-N 0 1 484.021 5.061 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000020175840 555682010 /nfs/dbraw/zinc/68/20/10/555682010.db2.gz HLFHSYJAXJWWQG-LDADJPATSA-N 0 1 497.334 5.073 40 10 JKCBMN CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccccc3)CC2)cc1 ZINC000020192103 555693225 /nfs/dbraw/zinc/69/32/25/555693225.db2.gz CLOOXMGMZZPBCL-PMERELPUSA-N 0 1 499.743 6.965 40 10 JKCBMN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2cccc3ccccc32)cc1 ZINC000020289142 555759880 /nfs/dbraw/zinc/75/98/80/555759880.db2.gz XWHPVLZMXNBVSH-ITYLOYPMSA-N 0 1 490.588 6.595 40 10 JKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000011868506 555845175 /nfs/dbraw/zinc/84/51/75/555845175.db2.gz RIUQYEWZDJLFRW-XGCWNURASA-N 0 1 460.599 6.176 40 10 JKCBMN CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2c1 ZINC000016956731 556187521 /nfs/dbraw/zinc/18/75/21/556187521.db2.gz CKYGOSNHYVIUNC-XMHGGMMESA-N 0 1 464.518 5.448 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1 ZINC000026580615 556257467 /nfs/dbraw/zinc/25/74/67/556257467.db2.gz MHGKTNXSOJRQAL-CJLVFECKSA-N 0 1 492.959 5.048 40 10 JKCBMN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[N@@H+]4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c32)cc1 ZINC000008717883 569596950 /nfs/dbraw/zinc/59/69/50/569596950.db2.gz NIRVXWSUHCFHDV-VKGTZQKMSA-N 0 1 462.590 6.108 40 10 JKCBMN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[N@H+]4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c32)cc1 ZINC000008717883 569596952 /nfs/dbraw/zinc/59/69/52/569596952.db2.gz NIRVXWSUHCFHDV-VKGTZQKMSA-N 0 1 462.590 6.108 40 10 JKCBMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1C1CCCCC1 ZINC000008721790 569598630 /nfs/dbraw/zinc/59/86/30/569598630.db2.gz IWNWDEWGPXTJQD-NTUHNPAUSA-N 0 1 477.243 5.451 40 10 JKCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000033406950 569626003 /nfs/dbraw/zinc/62/60/03/569626003.db2.gz JWVYXGCEDWFONT-JCMHNJIXSA-N 0 1 474.944 5.118 40 10 JKCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000033422531 569626113 /nfs/dbraw/zinc/62/61/13/569626113.db2.gz GMGVIGSBFUIVHD-GXDHUFHOSA-N 0 1 478.376 5.713 40 10 JKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000083293515 569708359 /nfs/dbraw/zinc/70/83/59/569708359.db2.gz JUPXGPOKQXXZME-IWIPYMOSSA-N 0 1 498.966 5.932 40 10 JKCBMN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000101181688 569786292 /nfs/dbraw/zinc/78/62/92/569786292.db2.gz PROHNLRRZLTDRT-XJUOHMSHSA-N 0 1 499.350 5.149 40 10 JKCBMN CCc1ccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1 ZINC000038161914 569799606 /nfs/dbraw/zinc/79/96/06/569799606.db2.gz KLOOKHCHQLBFSX-CPNJWEJPSA-N 0 1 464.631 6.221 40 10 JKCBMN Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 ZINC000102491255 569813650 /nfs/dbraw/zinc/81/36/50/569813650.db2.gz UUWOOGAKBOGZIN-SWGBCSPSSA-N 0 1 454.490 6.487 40 10 JKCBMN CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103921018 569839321 /nfs/dbraw/zinc/83/93/21/569839321.db2.gz SFCOTEPTKNZYFW-STZFKDTASA-N 0 1 462.937 6.226 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)cc1 ZINC000107616152 569856734 /nfs/dbraw/zinc/85/67/34/569856734.db2.gz FJMURTAWINXLBH-HZHRSRAPSA-N 0 1 457.599 5.105 40 10 JKCBMN CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000107671300 569856991 /nfs/dbraw/zinc/85/69/91/569856991.db2.gz OMBCSDXDVONALS-RGEXLXHISA-N 0 1 487.021 5.529 40 10 JKCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000107965915 569858107 /nfs/dbraw/zinc/85/81/07/569858107.db2.gz XXTMOHPIWOBFQE-NDENLUEZSA-N 0 1 469.324 5.042 40 10 JKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000108169649 569858894 /nfs/dbraw/zinc/85/88/94/569858894.db2.gz JGVXSPBPDNKENQ-HAHDFKILSA-N 0 1 454.913 5.534 40 10 JKCBMN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208195694 569874912 /nfs/dbraw/zinc/87/49/12/569874912.db2.gz HNARMRQRKMYVAO-KWWJGWKXSA-N 0 1 488.440 5.547 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208236247 569875101 /nfs/dbraw/zinc/87/51/01/569875101.db2.gz CTMBIIXAHFEPHF-SLDJAQPHSA-N 0 1 468.022 5.202 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208236209 569875131 /nfs/dbraw/zinc/87/51/31/569875131.db2.gz CTMBIIXAHFEPHF-RVZJCZPVSA-N 0 1 468.022 5.202 40 10 JKCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000208240053 569875139 /nfs/dbraw/zinc/87/51/39/569875139.db2.gz FPNVUFIXMHATDZ-AGZSBTIMSA-N 0 1 488.440 5.547 40 10 JKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208307774 569875288 /nfs/dbraw/zinc/87/52/88/569875288.db2.gz AAPKFFXGWBMYKA-SDLXJUDFSA-N 0 1 461.631 5.247 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208315529 569875365 /nfs/dbraw/zinc/87/53/65/569875365.db2.gz WVGMAXINHUCFID-WMRWHDLOSA-N 0 1 482.049 5.592 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325746 569875397 /nfs/dbraw/zinc/87/53/97/569875397.db2.gz WBVVNDPSWJICCL-ALDSOSFCSA-N 0 1 461.631 5.247 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C(=O)NC1=S ZINC000208326755 569875429 /nfs/dbraw/zinc/87/54/29/569875429.db2.gz WTQXUBWEZCIVJQ-LUJYGJGBSA-N 0 1 475.658 5.501 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)c(C)c1 ZINC000208451275 569875453 /nfs/dbraw/zinc/87/54/53/569875453.db2.gz DKYZRKGYMHKESQ-FYJGNVAPSA-N 0 1 459.615 5.075 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1C ZINC000208451667 569875485 /nfs/dbraw/zinc/87/54/85/569875485.db2.gz COYHXGBIWJPKFA-LPYMAVHISA-N 0 1 459.615 5.075 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2C(C)=CC1(C)C ZINC000208518481 569875678 /nfs/dbraw/zinc/87/56/78/569875678.db2.gz OYLLVAIUPLXBFQ-KGENOOAVSA-N 0 1 459.615 5.157 40 10 JKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2C(C)=CC1(C)C ZINC000208516975 569875685 /nfs/dbraw/zinc/87/56/85/569875685.db2.gz FBKVGQPNWCOTHI-KGENOOAVSA-N 0 1 459.615 5.157 40 10 JKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C(=O)NC2=S)cc1 ZINC000208512647 569875689 /nfs/dbraw/zinc/87/56/89/569875689.db2.gz WOMKPMYIIHZAHM-PXLXIMEGSA-N 0 1 459.615 5.102 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208517978 569875732 /nfs/dbraw/zinc/87/57/32/569875732.db2.gz ZBXTZRRDFVADPL-HZHRSRAPSA-N 0 1 489.641 5.247 40 10 JKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208523759 569875781 /nfs/dbraw/zinc/87/57/81/569875781.db2.gz VBUNJQXILTWKEB-HYARGMPZSA-N 0 1 459.615 5.157 40 10 JKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)c1C ZINC000223489995 569913191 /nfs/dbraw/zinc/91/31/91/569913191.db2.gz UIAPCRXIVZKVDD-HYARGMPZSA-N 0 1 473.642 5.545 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1 ZINC000223489561 569913206 /nfs/dbraw/zinc/91/32/06/569913206.db2.gz DEMFZSDJBVYSFL-HZHRSRAPSA-N 0 1 489.641 5.327 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1 ZINC000223537181 569915015 /nfs/dbraw/zinc/91/50/15/569915015.db2.gz MPUGGTUZEAMPBK-HINJULBWSA-N 0 1 477.630 5.029 40 10 JKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223551686 569915654 /nfs/dbraw/zinc/91/56/54/569915654.db2.gz ITUQLBLRTMSXQW-GKXUUXLPSA-N 0 1 482.049 5.672 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1 ZINC000223559798 569916011 /nfs/dbraw/zinc/91/60/11/569916011.db2.gz VVSWNHJGHKODLX-WQZUMXOESA-N 0 1 475.658 5.635 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)NC1=S ZINC000223560373 569916078 /nfs/dbraw/zinc/91/60/78/569916078.db2.gz BUGPPAZNKXYDTQ-ALDSOSFCSA-N 0 1 461.631 5.327 40 10 JKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223561017 569916096 /nfs/dbraw/zinc/91/60/96/569916096.db2.gz SQDZHXOKVQYVBA-HUCUOGIVSA-N 0 1 465.594 5.158 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223600802 569917419 /nfs/dbraw/zinc/91/74/19/569917419.db2.gz LEHHBSLLLWUUJW-QQZPLFJDSA-N 0 1 496.076 5.980 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223600545 569917454 /nfs/dbraw/zinc/91/74/54/569917454.db2.gz QPMSOBJBRCTIGF-NEIHUHTASA-N 0 1 496.076 5.980 40 10 JKCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000223609450 569917824 /nfs/dbraw/zinc/91/78/24/569917824.db2.gz QXYWLBPLKDIIAC-TTXZLZEXSA-N 0 1 491.657 5.336 40 10 JKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223610345 569917867 /nfs/dbraw/zinc/91/78/67/569917867.db2.gz BOMRGXJTPPATPX-UOBPLZBXSA-N 0 1 479.621 5.466 40 10 JKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408692620 570015409 /nfs/dbraw/zinc/01/54/09/570015409.db2.gz QVPAUKBRGAJDRN-PCLIKHOPSA-N 0 1 463.537 5.247 40 10 JKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408694631 570017157 /nfs/dbraw/zinc/01/71/57/570017157.db2.gz LAOFOUFHPBKDBV-OQLLNIDSSA-N 0 1 495.782 5.251 40 10 JKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)CC ZINC000408699860 570020805 /nfs/dbraw/zinc/02/08/05/570020805.db2.gz ZTRUBZILZWWNGQ-UHFFFAOYSA-N 0 1 486.977 5.119 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408740616 570032053 /nfs/dbraw/zinc/03/20/53/570032053.db2.gz HLMZJBMVQPIZOP-UDWIEESQSA-N 0 1 486.435 5.204 40 10 JKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1 ZINC000408742230 570032549 /nfs/dbraw/zinc/03/25/49/570032549.db2.gz VLNHFAMMJTZQJU-ATVHPVEESA-N 0 1 487.364 5.483 40 10 JKCBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408757446 570035770 /nfs/dbraw/zinc/03/57/70/570035770.db2.gz NJACPQLWLFXJQA-UDWIEESQSA-N 0 1 464.913 5.078 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758808 570036336 /nfs/dbraw/zinc/03/63/36/570036336.db2.gz RMHTWNCQHMKTEQ-WSDLNYQXSA-N 0 1 463.990 5.196 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408763106 570037402 /nfs/dbraw/zinc/03/74/02/570037402.db2.gz RGZVNLBAPYJJOU-HYARGMPZSA-N 0 1 463.990 5.141 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408768657 570038488 /nfs/dbraw/zinc/03/84/88/570038488.db2.gz ZUKDHVKUNHVTBZ-RCCKNPSSSA-N 0 1 475.589 5.362 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408777534 570040554 /nfs/dbraw/zinc/04/05/54/570040554.db2.gz BKYQDNPNEXLKJJ-OEAKJJBVSA-N 0 1 492.044 5.876 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408778342 570040798 /nfs/dbraw/zinc/04/07/98/570040798.db2.gz DXBIONJKIXZTJD-NLRVBDNBSA-N 0 1 491.616 5.901 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408779677 570041026 /nfs/dbraw/zinc/04/10/26/570041026.db2.gz HKVOOAGWSBLFKP-HKOYGPOVSA-N 0 1 463.562 5.284 40 10 JKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000408783611 570042392 /nfs/dbraw/zinc/04/23/92/570042392.db2.gz PDDZAOZBJXNMKL-YZSQISJMSA-N 0 1 484.600 5.224 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000408785009 570042732 /nfs/dbraw/zinc/04/27/32/570042732.db2.gz WWIHVPAYRDGYNT-LICLKQGHSA-N 0 1 462.402 5.358 40 10 JKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S ZINC000408791060 570044007 /nfs/dbraw/zinc/04/40/07/570044007.db2.gz VKORFJNCMWYRJC-JJIBRWJFSA-N 0 1 485.653 5.785 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408807579 570048146 /nfs/dbraw/zinc/04/81/46/570048146.db2.gz CTLJNPCTDLQMBB-BUVRLJJBSA-N 0 1 465.578 5.138 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000408810790 570049100 /nfs/dbraw/zinc/04/91/00/570049100.db2.gz LEUAKOYLJSCEJM-LPYMAVHISA-N 0 1 485.996 5.483 40 10 JKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000408813806 570049809 /nfs/dbraw/zinc/04/98/09/570049809.db2.gz DSKSFFAHHVCGCA-UDWIEESQSA-N 0 1 497.979 5.117 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408816179 570050612 /nfs/dbraw/zinc/05/06/12/570050612.db2.gz JBPCYPHAQOXIPE-ZVHZXABRSA-N 0 1 483.568 5.277 40 10 JKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1C ZINC000408818336 570051174 /nfs/dbraw/zinc/05/11/74/570051174.db2.gz PLPGPELRXSIPJH-ZVHZXABRSA-N 0 1 483.568 5.277 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408820569 570051889 /nfs/dbraw/zinc/05/18/89/570051889.db2.gz YQZGWCSSCDMBQX-RGVLZGJSSA-N 0 1 481.980 5.335 40 10 JKCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C ZINC000408844261 570054258 /nfs/dbraw/zinc/05/42/58/570054258.db2.gz CVOBIHPCOZNZHG-XNTDXEJSSA-N 0 1 463.386 5.265 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C ZINC000408848797 570055197 /nfs/dbraw/zinc/05/51/97/570055197.db2.gz ULAVIIZCJJAIQI-SFQUDFHCSA-N 0 1 484.408 5.541 40 10 JKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408850474 570055391 /nfs/dbraw/zinc/05/53/91/570055391.db2.gz NYZIQULKYWCSNL-QGOAFFKASA-N 0 1 483.376 5.404 40 10 JKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408865427 570057942 /nfs/dbraw/zinc/05/79/42/570057942.db2.gz CJSZDEDNVWSBKL-BKUYFWCQSA-N 0 1 494.975 5.300 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408866895 570058358 /nfs/dbraw/zinc/05/83/58/570058358.db2.gz HILZRCSMWMQUSU-NDENLUEZSA-N 0 1 494.975 5.300 40 10 JKCBMN Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C ZINC000408867845 570058624 /nfs/dbraw/zinc/05/86/24/570058624.db2.gz MFVQFHMRQSGHMY-ONUIUJJFSA-N 0 1 492.600 5.867 40 10 JKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408869149 570059031 /nfs/dbraw/zinc/05/90/31/570059031.db2.gz PELBBHNAZQKWJT-HAHDFKILSA-N 0 1 486.593 5.112 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408887838 570064915 /nfs/dbraw/zinc/06/49/15/570064915.db2.gz UHJTYNIIASQGHM-JLPGSUDCSA-N 0 1 482.536 5.389 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000408935534 570081356 /nfs/dbraw/zinc/08/13/56/570081356.db2.gz HQWLNHXUZGJUEA-KOEQRZSOSA-N 0 1 464.546 5.250 40 10 JKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000408962571 570086525 /nfs/dbraw/zinc/08/65/25/570086525.db2.gz ZIFNLBFSMCGOLF-HZHRSRAPSA-N 0 1 471.626 5.413 40 10 JKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000408964211 570086948 /nfs/dbraw/zinc/08/69/48/570086948.db2.gz CAEOXXOUIAUHFP-PXLXIMEGSA-N 0 1 457.599 5.105 40 10 JKCBMN 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CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000409236954 570180097 /nfs/dbraw/zinc/18/00/97/570180097.db2.gz IMDJIFFFPZVWGW-DEDYPNTBSA-N 0 1 483.014 6.039 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409237015 570180116 /nfs/dbraw/zinc/18/01/16/570180116.db2.gz UQDTYEUTAVYNMG-DEDYPNTBSA-N 0 1 478.017 5.504 40 10 JKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)cc1 ZINC000409236946 570180134 /nfs/dbraw/zinc/18/01/34/570180134.db2.gz ILBYCLOQTNMZDS-BUVRLJJBSA-N 0 1 479.605 5.446 40 10 JKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409237517 570180409 /nfs/dbraw/zinc/18/04/09/570180409.db2.gz UYTXGHMVNCVQTL-JAIQZWGSSA-N 0 1 484.408 5.541 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c1 ZINC000409237647 570180458 /nfs/dbraw/zinc/18/04/58/570180458.db2.gz KLLRIDMOFJQUMM-XDHOZWIPSA-N 0 1 450.947 5.357 40 10 JKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c1 ZINC000409238869 570181001 /nfs/dbraw/zinc/18/10/01/570181001.db2.gz OCKZCAURPFPIKV-PDGQHHTCSA-N 0 1 481.371 5.157 40 10 JKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409239102 570181156 /nfs/dbraw/zinc/18/11/56/570181156.db2.gz BWGAAFPKWKYDQD-LPYMAVHISA-N 0 1 497.542 5.507 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409240374 570181588 /nfs/dbraw/zinc/18/15/88/570181588.db2.gz TUDBBSJQCNOJTP-WFSQQTBHSA-N 0 1 463.386 5.310 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409241734 570182249 /nfs/dbraw/zinc/18/22/49/570182249.db2.gz UIOZUEKUIAHLAZ-CPNJWEJPSA-N 0 1 489.959 5.313 40 10 JKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1 ZINC000409242301 570182499 /nfs/dbraw/zinc/18/24/99/570182499.db2.gz QKCCFETYFLBJRP-NBVRZTHBSA-N 0 1 450.972 5.323 40 10 JKCBMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1 ZINC000409244061 570183370 /nfs/dbraw/zinc/18/33/70/570183370.db2.gz WYEXHJCCWDPUDG-IWIPYMOSSA-N 0 1 483.568 5.277 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1 ZINC000409244474 570183432 /nfs/dbraw/zinc/18/34/32/570183432.db2.gz DELSSJUEIQCUJI-DEDYPNTBSA-N 0 1 499.082 6.507 40 10 JKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409244506 570183467 /nfs/dbraw/zinc/18/34/67/570183467.db2.gz DSBBQFZCATUCJO-YBFXNURJSA-N 0 1 487.021 5.481 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409244642 570183611 /nfs/dbraw/zinc/18/36/11/570183611.db2.gz GRZMHHIUJYAEMZ-CPNJWEJPSA-N 0 1 463.990 5.196 40 10 JKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000409245267 570183791 /nfs/dbraw/zinc/18/37/91/570183791.db2.gz QAMJMOBTZZSMPX-SFQUDFHCSA-N 0 1 474.485 5.281 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409245237 570183881 /nfs/dbraw/zinc/18/38/81/570183881.db2.gz PLXORECOYULCEX-MFKUBSTISA-N 0 1 497.595 5.783 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409247134 570184659 /nfs/dbraw/zinc/18/46/59/570184659.db2.gz GLCYIQYFGHXFIF-HYARGMPZSA-N 0 1 457.599 5.159 40 10 JKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Sc1ccccc1 ZINC000409248671 570185198 /nfs/dbraw/zinc/18/51/98/570185198.db2.gz HWRFKQMERCJUIL-UYRXBGFRSA-N 0 1 484.524 5.688 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409248795 570185200 /nfs/dbraw/zinc/18/52/00/570185200.db2.gz QTXCQXDEGZTSRR-YBFXNURJSA-N 0 1 498.435 5.849 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409249354 570185297 /nfs/dbraw/zinc/18/52/97/570185297.db2.gz UCPCPABLNZDIMX-UDWIEESQSA-N 0 1 463.990 5.196 40 10 JKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000409249251 570185341 /nfs/dbraw/zinc/18/53/41/570185341.db2.gz JXQMBDNUDUTFTD-VUVCFOEZSA-N 0 1 487.419 5.075 40 10 JKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409250053 570185552 /nfs/dbraw/zinc/18/55/52/570185552.db2.gz PKLNBNYTSMPDKZ-HYARGMPZSA-N 0 1 485.996 5.483 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409250233 570185688 /nfs/dbraw/zinc/18/56/88/570185688.db2.gz WPJPLNSHCSCDEO-WSDLNYQXSA-N 0 1 492.044 5.813 40 10 JKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000409250764 570185800 /nfs/dbraw/zinc/18/58/00/570185800.db2.gz YBWURTJPGMNRSX-GZTJUZNOSA-N 0 1 476.863 5.450 40 10 JKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409251836 570185877 /nfs/dbraw/zinc/18/58/77/570185877.db2.gz WOKLLSZHSICNHJ-KEBDBYFISA-N 0 1 467.953 5.026 40 10 JKCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409253739 570186510 /nfs/dbraw/zinc/18/65/10/570186510.db2.gz VCQJLNOTIROBRV-FHHIAAGZSA-N 0 1 464.974 5.502 40 10 JKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409254940 570186694 /nfs/dbraw/zinc/18/66/94/570186694.db2.gz YMWIGHWVPVIFCH-HZHRSRAPSA-N 0 1 493.053 6.446 40 10 JKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000409255618 570186763 /nfs/dbraw/zinc/18/67/63/570186763.db2.gz ZFOMBIJDWWVCGF-LDADJPATSA-N 0 1 488.512 5.589 40 10 JKCBMN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408584500 570207609 /nfs/dbraw/zinc/20/76/09/570207609.db2.gz QNYDROAIOZXWTA-UHFFFAOYSA-N 0 1 485.993 5.246 40 10 JKCBMN